| \n", + " | ID | \n", + "RMSD | \n", + "ID_pair | \n", + "RMSD_pair | \n", + "
|---|---|---|---|---|
| 0 | \n", + "1XSA-23_A | \n", + "3.970253 | \n", + "1XSC-20_A | \n", + "3.058042 | \n", + "
| 1 | \n", + "1K2H-4_A | \n", + "6.548136 | \n", + "1ZFS-13_B | \n", + "2.113548 | \n", + "
| 2 | \n", + "2D9E-12_A | \n", + "3.841726 | \n", + "2RS9-13_B | \n", + "2.833620 | \n", + "
| 3 | \n", + "1EX6_B | \n", + "1.319946 | \n", + "1EX7_A | \n", + "3.402175 | \n", + "
| 4 | \n", + "2AI6-18_A | \n", + "2.476915 | \n", + "2OZW-3_A | \n", + "3.186163 | \n", + "
| 5 | \n", + "2KXL-8_A | \n", + "4.653389 | \n", + "2K0G-9_A | \n", + "3.103988 | \n", + "
| 6 | \n", + "1TJD_A | \n", + "2.513572 | \n", + "1EEJ_B | \n", + "3.022236 | \n", + "
| 7 | \n", + "2F63-4_A | \n", + "1.945078 | \n", + "1EQM_A | \n", + "3.984724 | \n", + "
| 8 | \n", + "2LKC-4_A | \n", + "8.132903 | \n", + "2LKD-18_A | \n", + "4.769430 | \n", + "
| 9 | \n", + "1ZOL_A | \n", + "2.846982 | \n", + "1O03_A | \n", + "0.956601 | \n", + "
| 10 | \n", + "1NTR-7_A | \n", + "4.365116 | \n", + "1KRX-4_A | \n", + "3.509684 | \n", + "
| 11 | \n", + "1S2O_A | \n", + "3.113500 | \n", + "1TJ5_A | \n", + "0.589024 | \n", + "
| 12 | \n", + "1JM4-15_B | \n", + "2.971319 | \n", + "1WUM_A | \n", + "4.018231 | \n", + "
| 13 | \n", + "1MO7-3_A | \n", + "20.121319 | \n", + "1MO8-14_A | \n", + "20.020442 | \n", + "
| 14 | \n", + "1VIY_C | \n", + "2.776145 | \n", + "1VHL_A | \n", + "2.553847 | \n", + "
| 15 | \n", + "1JFJ-3_A | \n", + "13.630023 | \n", + "1JFK_A | \n", + "13.271120 | \n", + "
| 16 | \n", + "1LIP-2_A | \n", + "2.288405 | \n", + "1JTB-6_A | \n", + "2.943936 | \n", + "
| 17 | \n", + "1AEL-12_A | \n", + "2.491169 | \n", + "1URE-8_A | \n", + "1.498495 | \n", + "
| 18 | \n", + "2RCS_H | \n", + "5.308061 | \n", + "1AJ7_H | \n", + "2.619678 | \n", + "
| 19 | \n", + "2CG7_A | \n", + "0.931586 | \n", + "2CG6_A | \n", + "6.221114 | \n", + "
| 20 | \n", + "1SKT-10_A | \n", + "5.041375 | \n", + "1TNQ-33_A | \n", + "3.179793 | \n", + "
| 21 | \n", + "2K43-1_A | \n", + "2.863204 | \n", + "2K8R-1_A | \n", + "4.016258 | \n", + "
| 22 | \n", + "2NLN-4_A | \n", + "3.890419 | \n", + "1RRO_A | \n", + "0.608854 | \n", + "
| 23 | \n", + "1WD7_B | \n", + "5.101763 | \n", + "1WCW_A | \n", + "1.811433 | \n", + "
| 24 | \n", + "1IJA-15_A | \n", + "3.416108 | \n", + "2KID-4_A | \n", + "2.335986 | \n", + "
| 25 | \n", + "1FMF-4_A | \n", + "17.028463 | \n", + "1ID8-11_A | \n", + "17.521558 | \n", + "
| 26 | \n", + "2JWW-13_A | \n", + "2.660273 | \n", + "1RTP_1 | \n", + "0.452119 | \n", + "
| 27 | \n", + "2L50-24_A | \n", + "3.916225 | \n", + "2L51-15_B | \n", + "4.686565 | \n", + "
| 28 | \n", + "4AKE_B | \n", + "21.210043 | \n", + "2ECK_B | \n", + "22.532883 | \n", + "
| 29 | \n", + "1GH1-7_A | \n", + "2.540004 | \n", + "1CZ2-8_A | \n", + "2.687867 | \n", + "
| 30 | \n", + "1F3Y-17_A | \n", + "3.323891 | \n", + "1JKN-15_A | \n", + "2.730083 | \n", + "
| 31 | \n", + "2UZ5-9_A | \n", + "3.145908 | \n", + "2VCD-8_A | \n", + "1.512369 | \n", + "
| 32 | \n", + "2LAO_A | \n", + "4.673100 | \n", + "1LAH_E | \n", + "0.433919 | \n", + "
| 33 | \n", + "1ORM-9_A | \n", + "5.648883 | \n", + "1QJ8_A | \n", + "1.282584 | \n", + "
| 34 | \n", + "1W4U-9_A | \n", + "2.270906 | \n", + "1UR6-4_A | \n", + "2.172969 | \n", + "
| 35 | \n", + "1SYM-2_B | \n", + "5.831723 | \n", + "1XYD-15_B | \n", + "1.908022 | \n", + "
| 36 | \n", + "2JU3-3_A | \n", + "3.030244 | \n", + "2JU8-9_A | \n", + "1.799868 | \n", + "
| 37 | \n", + "1LMZ-9_A | \n", + "3.400153 | \n", + "1P7M-18_A | \n", + "2.276325 | \n", + "
| 38 | \n", + "2CJO-5_A | \n", + "1.477864 | \n", + "1ROE-10_A | \n", + "4.440145 | \n", + "
| 39 | \n", + "1MUT-11_A | \n", + "3.700894 | \n", + "1PUN-7_A | \n", + "4.030456 | \n", + "
| \n", + " | ID | \n", + "RMSD | \n", + "ID_pair | \n", + "RMSD_pair | \n", + "RMSD_sum | \n", + "
|---|---|---|---|---|---|
| 15 | \n", + "1JFJ-3_A | \n", + "-6.162395 | \n", + "1JFK_A | \n", + "-2.109873 | \n", + "-8.272268 | \n", + "
| 28 | \n", + "4AKE_B | \n", + "-2.313638 | \n", + "2ECK_B | \n", + "-4.337800 | \n", + "-6.651437 | \n", + "
| 13 | \n", + "1MO7-3_A | \n", + "-2.238847 | \n", + "1MO8-14_A | \n", + "-1.583627 | \n", + "-3.822474 | \n", + "
| 6 | \n", + "1TJD_A | \n", + "-0.797425 | \n", + "1EEJ_B | \n", + "-0.969317 | \n", + "-1.766742 | \n", + "
| 25 | \n", + "1FMF-4_A | \n", + "-0.902580 | \n", + "1ID8-11_A | \n", + "-0.568527 | \n", + "-1.471107 | \n", + "
| 14 | \n", + "1VIY_C | \n", + "-0.440276 | \n", + "1VHL_A | \n", + "-0.355732 | \n", + "-0.796008 | \n", + "
| 16 | \n", + "1LIP-2_A | \n", + "-0.450644 | \n", + "1JTB-6_A | \n", + "-0.233744 | \n", + "-0.684389 | \n", + "
| 23 | \n", + "1WD7_B | \n", + "-0.426444 | \n", + "1WCW_A | \n", + "-0.177141 | \n", + "-0.603586 | \n", + "
| 29 | \n", + "1GH1-7_A | \n", + "-0.236910 | \n", + "1CZ2-8_A | \n", + "-0.257443 | \n", + "-0.494353 | \n", + "
| 0 | \n", + "1XSA-23_A | \n", + "0.175216 | \n", + "1XSC-20_A | \n", + "-0.599066 | \n", + "-0.423850 | \n", + "
| 21 | \n", + "2K43-1_A | \n", + "-0.136939 | \n", + "2K8R-1_A | \n", + "-0.267460 | \n", + "-0.404399 | \n", + "
| 7 | \n", + "2F63-4_A | \n", + "0.256971 | \n", + "1EQM_A | \n", + "-0.602221 | \n", + "-0.345251 | \n", + "
| 37 | \n", + "1LMZ-9_A | \n", + "-0.553248 | \n", + "1P7M-18_A | \n", + "0.224645 | \n", + "-0.328604 | \n", + "
| 35 | \n", + "1SYM-2_B | \n", + "-0.699858 | \n", + "1XYD-15_B | \n", + "0.451037 | \n", + "-0.248821 | \n", + "
| 2 | \n", + "2D9E-12_A | \n", + "-0.304322 | \n", + "2RS9-13_B | \n", + "0.214089 | \n", + "-0.090233 | \n", + "
| 38 | \n", + "2CJO-5_A | \n", + "-0.032515 | \n", + "1ROE-10_A | \n", + "-0.040185 | \n", + "-0.072700 | \n", + "
| 36 | \n", + "2JU3-3_A | \n", + "-0.078532 | \n", + "2JU8-9_A | \n", + "0.060872 | \n", + "-0.017660 | \n", + "
| 31 | \n", + "2UZ5-9_A | \n", + "-0.072986 | \n", + "2VCD-8_A | \n", + "0.075184 | \n", + "0.002199 | \n", + "
| 5 | \n", + "2KXL-8_A | \n", + "-0.340133 | \n", + "2K0G-9_A | \n", + "0.360263 | \n", + "0.020130 | \n", + "
| 39 | \n", + "1MUT-11_A | \n", + "0.248197 | \n", + "1PUN-7_A | \n", + "-0.148158 | \n", + "0.100039 | \n", + "
| 34 | \n", + "1W4U-9_A | \n", + "-0.003798 | \n", + "1UR6-4_A | \n", + "0.136138 | \n", + "0.132340 | \n", + "
| 27 | \n", + "2L50-24_A | \n", + "0.507718 | \n", + "2L51-15_B | \n", + "-0.299215 | \n", + "0.208503 | \n", + "
| 10 | \n", + "1NTR-7_A | \n", + "0.375105 | \n", + "1KRX-4_A | \n", + "-0.094956 | \n", + "0.280150 | \n", + "
| 17 | \n", + "1AEL-12_A | \n", + "0.210019 | \n", + "1URE-8_A | \n", + "0.111766 | \n", + "0.321785 | \n", + "
| 11 | \n", + "1S2O_A | \n", + "-0.820904 | \n", + "1TJ5_A | \n", + "1.158098 | \n", + "0.337194 | \n", + "
| 22 | \n", + "2NLN-4_A | \n", + "-0.124115 | \n", + "1RRO_A | \n", + "0.499563 | \n", + "0.375447 | \n", + "
| 1 | \n", + "1K2H-4_A | \n", + "-0.190622 | \n", + "1ZFS-13_B | \n", + "0.607600 | \n", + "0.416978 | \n", + "
| 32 | \n", + "2LAO_A | \n", + "-0.549072 | \n", + "1LAH_E | \n", + "1.009201 | \n", + "0.460128 | \n", + "
| 3 | \n", + "1EX6_B | \n", + "1.771503 | \n", + "1EX7_A | \n", + "-1.292616 | \n", + "0.478887 | \n", + "
| 24 | \n", + "1IJA-15_A | \n", + "1.022753 | \n", + "2KID-4_A | \n", + "-0.414566 | \n", + "0.608187 | \n", + "
| 8 | \n", + "2LKC-4_A | \n", + "-0.141358 | \n", + "2LKD-18_A | \n", + "0.802341 | \n", + "0.660983 | \n", + "
| 26 | \n", + "2JWW-13_A | \n", + "0.036775 | \n", + "1RTP_1 | \n", + "0.631301 | \n", + "0.668076 | \n", + "
| 4 | \n", + "2AI6-18_A | \n", + "0.318086 | \n", + "2OZW-3_A | \n", + "0.446006 | \n", + "0.764092 | \n", + "
| 20 | \n", + "1SKT-10_A | \n", + "-1.072455 | \n", + "1TNQ-33_A | \n", + "2.033404 | \n", + "0.960949 | \n", + "
| 9 | \n", + "1ZOL_A | \n", + "-0.373472 | \n", + "1O03_A | \n", + "1.413874 | \n", + "1.040402 | \n", + "
| 18 | \n", + "2RCS_H | \n", + "-1.187237 | \n", + "1AJ7_H | \n", + "2.490451 | \n", + "1.303214 | \n", + "
| 33 | \n", + "1ORM-9_A | \n", + "-0.074147 | \n", + "1QJ8_A | \n", + "1.515841 | \n", + "1.441694 | \n", + "
| 19 | \n", + "2CG7_A | \n", + "1.498914 | \n", + "2CG6_A | \n", + "1.014744 | \n", + "2.513658 | \n", + "
| 12 | \n", + "1JM4-15_B | \n", + "1.197003 | \n", + "1WUM_A | \n", + "1.655569 | \n", + "2.852571 | \n", + "
| 30 | \n", + "1F3Y-17_A | \n", + "2.290361 | \n", + "1JKN-15_A | \n", + "1.114371 | \n", + "3.404731 | \n", + "
| \n", + " | Value | \n", + "
|---|---|
| count | \n", + "80.000000 | \n", + "
| mean | \n", + "3.014958 | \n", + "
| std | \n", + "3.620323 | \n", + "
| min | \n", + "0.684097 | \n", + "
| 25% | \n", + "1.112653 | \n", + "
| 50% | \n", + "1.762292 | \n", + "
| 75% | \n", + "2.610283 | \n", + "
| max | \n", + "17.102671 | \n", + "
| \n", + " | ID | \n", + "RMSD | \n", + "ID_pair | \n", + "RMSD_pair | \n", + "
|---|---|---|---|---|
| 0 | \n", + "1XSA-23_A | \n", + "4.290748 | \n", + "1XSC-20_A | \n", + "2.667385 | \n", + "
| 1 | \n", + "1K2H-4_A | \n", + "6.595066 | \n", + "1ZFS-13_B | \n", + "2.433135 | \n", + "
| 2 | \n", + "2D9E-12_A | \n", + "3.833524 | \n", + "2RS9-13_B | \n", + "3.111152 | \n", + "
| 3 | \n", + "1EX6_B | \n", + "5.653150 | \n", + "1EX7_A | \n", + "1.731599 | \n", + "
| 4 | \n", + "2AI6-18_A | \n", + "2.964355 | \n", + "2OZW-3_A | \n", + "3.832838 | \n", + "
| 5 | \n", + "2KXL-8_A | \n", + "4.462213 | \n", + "2K0G-9_A | \n", + "3.537801 | \n", + "
| 6 | \n", + "1TJD_A | \n", + "1.783775 | \n", + "1EEJ_B | \n", + "2.574440 | \n", + "
| 7 | \n", + "2F63-4_A | \n", + "2.054574 | \n", + "1EQM_A | \n", + "4.000775 | \n", + "
| 8 | \n", + "2LKC-4_A | \n", + "8.724855 | \n", + "2LKD-18_A | \n", + "5.908632 | \n", + "
| 9 | \n", + "1ZOL_A | \n", + "3.030256 | \n", + "1O03_A | \n", + "0.955561 | \n", + "
| 10 | \n", + "1NTR-7_A | \n", + "3.999658 | \n", + "1KRX-4_A | \n", + "3.024332 | \n", + "
| 11 | \n", + "1S2O_A | \n", + "3.007401 | \n", + "1TJ5_A | \n", + "0.718991 | \n", + "
| 12 | \n", + "1JM4-15_B | \n", + "5.122198 | \n", + "1WUM_A | \n", + "1.862808 | \n", + "
| 13 | \n", + "1MO7-3_A | \n", + "21.899242 | \n", + "1MO8-14_A | \n", + "20.744996 | \n", + "
| 14 | \n", + "1VIY_C | \n", + "2.646644 | \n", + "1VHL_A | \n", + "2.612373 | \n", + "
| 15 | \n", + "1JFJ-3_A | \n", + "13.543279 | \n", + "1JFK_A | \n", + "12.893491 | \n", + "
| 16 | \n", + "1LIP-2_A | \n", + "1.782352 | \n", + "1JTB-6_A | \n", + "3.021207 | \n", + "
| 17 | \n", + "1AEL-12_A | \n", + "2.593274 | \n", + "1URE-8_A | \n", + "1.870646 | \n", + "
| 18 | \n", + "2RCS_H | \n", + "6.588012 | \n", + "1AJ7_H | \n", + "1.127907 | \n", + "
| 19 | \n", + "2CG7_A | \n", + "1.400330 | \n", + "2CG6_A | \n", + "6.507254 | \n", + "
| 20 | \n", + "1SKT-10_A | \n", + "2.328906 | \n", + "1TNQ-33_A | \n", + "6.515397 | \n", + "
| 21 | \n", + "2K43-1_A | \n", + "2.868781 | \n", + "2K8R-1_A | \n", + "4.274498 | \n", + "
| 22 | \n", + "2NLN-4_A | \n", + "3.484101 | \n", + "1RRO_A | \n", + "0.838994 | \n", + "
| 23 | \n", + "1WD7_B | \n", + "6.225669 | \n", + "1WCW_A | \n", + "2.383843 | \n", + "
| 24 | \n", + "1IJA-15_A | \n", + "4.166153 | \n", + "2KID-4_A | \n", + "2.036259 | \n", + "
| 25 | \n", + "1FMF-4_A | \n", + "15.113504 | \n", + "1ID8-11_A | \n", + "15.628270 | \n", + "
| 26 | \n", + "2JWW-13_A | \n", + "2.701851 | \n", + "1RTP_1 | \n", + "0.628039 | \n", + "
| 27 | \n", + "2L50-24_A | \n", + "3.192965 | \n", + "2L51-15_B | \n", + "3.900981 | \n", + "
| 28 | \n", + "4AKE_B | \n", + "17.878894 | \n", + "2ECK_B | \n", + "18.934968 | \n", + "
| 29 | \n", + "1GH1-7_A | \n", + "2.262727 | \n", + "1CZ2-8_A | \n", + "2.797874 | \n", + "
| 30 | \n", + "1F3Y-17_A | \n", + "5.878775 | \n", + "1JKN-15_A | \n", + "3.087536 | \n", + "
| 31 | \n", + "2UZ5-9_A | \n", + "3.113188 | \n", + "2VCD-8_A | \n", + "1.580868 | \n", + "
| 32 | \n", + "2LAO_A | \n", + "4.744419 | \n", + "1LAH_E | \n", + "0.420289 | \n", + "
| 33 | \n", + "1ORM-9_A | \n", + "6.267277 | \n", + "1QJ8_A | \n", + "4.640268 | \n", + "
| 34 | \n", + "1W4U-9_A | \n", + "2.413296 | \n", + "1UR6-4_A | \n", + "2.177503 | \n", + "
| 35 | \n", + "1SYM-2_B | \n", + "6.539329 | \n", + "1XYD-15_B | \n", + "2.161153 | \n", + "
| 36 | \n", + "2JU3-3_A | \n", + "2.927610 | \n", + "2JU8-9_A | \n", + "1.863133 | \n", + "
| 37 | \n", + "1LMZ-9_A | \n", + "3.389076 | \n", + "1P7M-18_A | \n", + "2.273441 | \n", + "
| 38 | \n", + "2CJO-5_A | \n", + "1.506121 | \n", + "1ROE-10_A | \n", + "4.488076 | \n", + "
| 39 | \n", + "1MUT-11_A | \n", + "3.655901 | \n", + "1PUN-7_A | \n", + "3.803842 | \n", + "
| \n", + " | ID | \n", + "RMSD | \n", + "ID_pair | \n", + "RMSD_pair | \n", + "RMSD_sum | \n", + "
|---|---|---|---|---|---|
| 28 | \n", + "4AKE_B | \n", + "-3.357762 | \n", + "2ECK_B | \n", + "-3.759513 | \n", + "-7.117275 | \n", + "
| 25 | \n", + "1FMF-4_A | \n", + "-1.511834 | \n", + "1ID8-11_A | \n", + "-1.478940 | \n", + "-2.990774 | \n", + "
| 6 | \n", + "1TJD_A | \n", + "-0.712956 | \n", + "1EEJ_B | \n", + "-0.441966 | \n", + "-1.154923 | \n", + "
| 27 | \n", + "2L50-24_A | \n", + "-0.429687 | \n", + "2L51-15_B | \n", + "-0.681335 | \n", + "-1.111022 | \n", + "
| 10 | \n", + "1NTR-7_A | \n", + "-0.378808 | \n", + "1KRX-4_A | \n", + "-0.487784 | \n", + "-0.866592 | \n", + "
| 15 | \n", + "1JFJ-3_A | \n", + "-0.071992 | \n", + "1JFK_A | \n", + "-0.402335 | \n", + "-0.474327 | \n", + "
| 16 | \n", + "1LIP-2_A | \n", + "-0.495849 | \n", + "1JTB-6_A | \n", + "0.065737 | \n", + "-0.430112 | \n", + "
| 18 | \n", + "2RCS_H | \n", + "1.211920 | \n", + "1AJ7_H | \n", + "-1.491750 | \n", + "-0.279830 | \n", + "
| 39 | \n", + "1MUT-11_A | \n", + "-0.051301 | \n", + "1PUN-7_A | \n", + "-0.226884 | \n", + "-0.278185 | \n", + "
| 22 | \n", + "2NLN-4_A | \n", + "-0.414035 | \n", + "1RRO_A | \n", + "0.223240 | \n", + "-0.190795 | \n", + "
| 29 | \n", + "1GH1-7_A | \n", + "-0.270299 | \n", + "1CZ2-8_A | \n", + "0.102049 | \n", + "-0.168250 | \n", + "
| 14 | \n", + "1VIY_C | \n", + "-0.149134 | \n", + "1VHL_A | \n", + "0.060158 | \n", + "-0.088976 | \n", + "
| 36 | \n", + "2JU3-3_A | \n", + "-0.130023 | \n", + "2JU8-9_A | \n", + "0.043151 | \n", + "-0.086872 | \n", + "
| 2 | \n", + "2D9E-12_A | \n", + "-0.061502 | \n", + "2RS9-13_B | \n", + "-0.007352 | \n", + "-0.068854 | \n", + "
| 37 | \n", + "1LMZ-9_A | \n", + "-0.013715 | \n", + "1P7M-18_A | \n", + "0.009654 | \n", + "-0.004061 | \n", + "
| 0 | \n", + "1XSA-23_A | \n", + "0.377315 | \n", + "1XSC-20_A | \n", + "-0.380714 | \n", + "-0.003399 | \n", + "
| 11 | \n", + "1S2O_A | \n", + "-0.112328 | \n", + "1TJ5_A | \n", + "0.136114 | \n", + "0.023786 | \n", + "
| 31 | \n", + "2UZ5-9_A | \n", + "-0.041580 | \n", + "2VCD-8_A | \n", + "0.076918 | \n", + "0.035338 | \n", + "
| 32 | \n", + "2LAO_A | \n", + "0.077595 | \n", + "1LAH_E | \n", + "-0.007499 | \n", + "0.070096 | \n", + "
| 38 | \n", + "2CJO-5_A | \n", + "0.026374 | \n", + "1ROE-10_A | \n", + "0.051154 | \n", + "0.077528 | \n", + "
| 12 | \n", + "1JM4-15_B | \n", + "2.176387 | \n", + "1WUM_A | \n", + "-2.082317 | \n", + "0.094070 | \n", + "
| 34 | \n", + "1W4U-9_A | \n", + "0.132147 | \n", + "1UR6-4_A | \n", + "0.004065 | \n", + "0.136213 | \n", + "
| 9 | \n", + "1ZOL_A | \n", + "0.168355 | \n", + "1O03_A | \n", + "-0.031728 | \n", + "0.136627 | \n", + "
| 7 | \n", + "2F63-4_A | \n", + "0.107709 | \n", + "1EQM_A | \n", + "0.034128 | \n", + "0.141838 | \n", + "
| 26 | \n", + "2JWW-13_A | \n", + "0.044969 | \n", + "1RTP_1 | \n", + "0.165603 | \n", + "0.210572 | \n", + "
| 21 | \n", + "2K43-1_A | \n", + "0.000972 | \n", + "2K8R-1_A | \n", + "0.263070 | \n", + "0.264042 | \n", + "
| 1 | \n", + "1K2H-4_A | \n", + "0.009438 | \n", + "1ZFS-13_B | \n", + "0.309945 | \n", + "0.319383 | \n", + "
| 24 | \n", + "1IJA-15_A | \n", + "0.822979 | \n", + "2KID-4_A | \n", + "-0.350575 | \n", + "0.472404 | \n", + "
| 17 | \n", + "1AEL-12_A | \n", + "0.107746 | \n", + "1URE-8_A | \n", + "0.371918 | \n", + "0.479664 | \n", + "
| 35 | \n", + "1SYM-2_B | \n", + "0.239874 | \n", + "1XYD-15_B | \n", + "0.267082 | \n", + "0.506955 | \n", + "
| 20 | \n", + "1SKT-10_A | \n", + "-2.724002 | \n", + "1TNQ-33_A | \n", + "3.321479 | \n", + "0.597477 | \n", + "
| 5 | \n", + "2KXL-8_A | \n", + "0.236057 | \n", + "2K0G-9_A | \n", + "0.469992 | \n", + "0.706050 | \n", + "
| 19 | \n", + "2CG7_A | \n", + "0.474843 | \n", + "2CG6_A | \n", + "0.314505 | \n", + "0.789347 | \n", + "
| 4 | \n", + "2AI6-18_A | \n", + "0.495220 | \n", + "2OZW-3_A | \n", + "0.649469 | \n", + "1.144689 | \n", + "
| 8 | \n", + "2LKC-4_A | \n", + "0.652920 | \n", + "2LKD-18_A | \n", + "0.745633 | \n", + "1.398553 | \n", + "
| 23 | \n", + "1WD7_B | \n", + "1.107016 | \n", + "1WCW_A | \n", + "0.615900 | \n", + "1.722916 | \n", + "
| 13 | \n", + "1MO7-3_A | \n", + "1.072619 | \n", + "1MO8-14_A | \n", + "1.075573 | \n", + "2.148192 | \n", + "
| 3 | \n", + "1EX6_B | \n", + "4.352210 | \n", + "1EX7_A | \n", + "-1.656571 | \n", + "2.695638 | \n", + "
| 30 | \n", + "1F3Y-17_A | \n", + "2.519273 | \n", + "1JKN-15_A | \n", + "0.381965 | \n", + "2.901238 | \n", + "
| 33 | \n", + "1ORM-9_A | \n", + "0.611532 | \n", + "1QJ8_A | \n", + "3.358392 | \n", + "3.969924 | \n", + "
| \n", + " | Value | \n", + "
|---|---|
| count | \n", + "80.000000 | \n", + "
| mean | \n", + "4.702575 | \n", + "
| std | \n", + "4.567831 | \n", + "
| min | \n", + "0.420289 | \n", + "
| 25% | \n", + "2.270763 | \n", + "
| 50% | \n", + "3.099344 | \n", + "
| 75% | \n", + "4.838864 | \n", + "
| max | \n", + "21.899242 | \n", + "
| \n", + " | ID | \n", + "RMSD | \n", + "ID_pair | \n", + "RMSD_pair | \n", + "
|---|---|---|---|---|
| 0 | \n", + "1XSA-23_A | \n", + "4.290748 | \n", + "1XSC-20_A | \n", + "2.667385 | \n", + "
| 1 | \n", + "1K2H-4_A | \n", + "6.595066 | \n", + "1ZFS-13_B | \n", + "2.433135 | \n", + "
| 2 | \n", + "2D9E-12_A | \n", + "3.833524 | \n", + "2RS9-13_B | \n", + "3.111152 | \n", + "
| 3 | \n", + "1EX6_B | \n", + "5.653150 | \n", + "1EX7_A | \n", + "1.731599 | \n", + "
| 4 | \n", + "2AI6-18_A | \n", + "2.964355 | \n", + "2OZW-3_A | \n", + "3.832838 | \n", + "
| 5 | \n", + "2KXL-8_A | \n", + "4.462213 | \n", + "2K0G-9_A | \n", + "3.537801 | \n", + "
| 6 | \n", + "1TJD_A | \n", + "1.783775 | \n", + "1EEJ_B | \n", + "2.574440 | \n", + "
| 7 | \n", + "2F63-4_A | \n", + "2.054574 | \n", + "1EQM_A | \n", + "4.000775 | \n", + "
| 8 | \n", + "2LKC-4_A | \n", + "8.724855 | \n", + "2LKD-18_A | \n", + "5.908632 | \n", + "
| 9 | \n", + "1ZOL_A | \n", + "3.030256 | \n", + "1O03_A | \n", + "0.955561 | \n", + "
| 10 | \n", + "1NTR-7_A | \n", + "3.999658 | \n", + "1KRX-4_A | \n", + "3.024332 | \n", + "
| 11 | \n", + "1S2O_A | \n", + "3.007401 | \n", + "1TJ5_A | \n", + "0.718991 | \n", + "
| 12 | \n", + "1JM4-15_B | \n", + "5.122198 | \n", + "1WUM_A | \n", + "1.862808 | \n", + "
| 13 | \n", + "1MO7-3_A | \n", + "21.899242 | \n", + "1MO8-14_A | \n", + "20.744996 | \n", + "
| 14 | \n", + "1VIY_C | \n", + "2.646644 | \n", + "1VHL_A | \n", + "2.612373 | \n", + "
| 15 | \n", + "1JFJ-3_A | \n", + "13.543279 | \n", + "1JFK_A | \n", + "12.893491 | \n", + "
| 16 | \n", + "1LIP-2_A | \n", + "1.782352 | \n", + "1JTB-6_A | \n", + "3.021207 | \n", + "
| 17 | \n", + "1AEL-12_A | \n", + "2.593274 | \n", + "1URE-8_A | \n", + "1.870646 | \n", + "
| 18 | \n", + "2RCS_H | \n", + "6.588012 | \n", + "1AJ7_H | \n", + "1.127907 | \n", + "
| 19 | \n", + "2CG7_A | \n", + "1.400330 | \n", + "2CG6_A | \n", + "6.507254 | \n", + "
| 20 | \n", + "1SKT-10_A | \n", + "2.328906 | \n", + "1TNQ-33_A | \n", + "6.515397 | \n", + "
| 21 | \n", + "2K43-1_A | \n", + "2.868781 | \n", + "2K8R-1_A | \n", + "4.274498 | \n", + "
| 22 | \n", + "2NLN-4_A | \n", + "3.484101 | \n", + "1RRO_A | \n", + "0.838994 | \n", + "
| 23 | \n", + "1WD7_B | \n", + "6.225669 | \n", + "1WCW_A | \n", + "2.383843 | \n", + "
| 24 | \n", + "1IJA-15_A | \n", + "4.166153 | \n", + "2KID-4_A | \n", + "2.036259 | \n", + "
| 25 | \n", + "1FMF-4_A | \n", + "15.113504 | \n", + "1ID8-11_A | \n", + "15.628270 | \n", + "
| 26 | \n", + "2JWW-13_A | \n", + "2.701851 | \n", + "1RTP_1 | \n", + "0.628039 | \n", + "
| 27 | \n", + "2L50-24_A | \n", + "3.192965 | \n", + "2L51-15_B | \n", + "3.900981 | \n", + "
| 28 | \n", + "4AKE_B | \n", + "17.878894 | \n", + "2ECK_B | \n", + "18.934968 | \n", + "
| 29 | \n", + "1GH1-7_A | \n", + "2.262727 | \n", + "1CZ2-8_A | \n", + "2.797874 | \n", + "
| 30 | \n", + "1F3Y-17_A | \n", + "5.878775 | \n", + "1JKN-15_A | \n", + "3.087536 | \n", + "
| 31 | \n", + "2UZ5-9_A | \n", + "3.113188 | \n", + "2VCD-8_A | \n", + "1.580868 | \n", + "
| 32 | \n", + "2LAO_A | \n", + "4.744419 | \n", + "1LAH_E | \n", + "0.420289 | \n", + "
| 33 | \n", + "1ORM-9_A | \n", + "6.267277 | \n", + "1QJ8_A | \n", + "4.640268 | \n", + "
| 34 | \n", + "1W4U-9_A | \n", + "2.413296 | \n", + "1UR6-4_A | \n", + "2.177503 | \n", + "
| 35 | \n", + "1SYM-2_B | \n", + "6.539329 | \n", + "1XYD-15_B | \n", + "2.161153 | \n", + "
| 36 | \n", + "2JU3-3_A | \n", + "2.927610 | \n", + "2JU8-9_A | \n", + "1.863133 | \n", + "
| 37 | \n", + "1LMZ-9_A | \n", + "3.389076 | \n", + "1P7M-18_A | \n", + "2.273441 | \n", + "
| 38 | \n", + "2CJO-5_A | \n", + "1.506121 | \n", + "1ROE-10_A | \n", + "4.488076 | \n", + "
| 39 | \n", + "1MUT-11_A | \n", + "3.655901 | \n", + "1PUN-7_A | \n", + "3.803842 | \n", + "
| \n", + " | ID | \n", + "RMSD | \n", + "ID_pair | \n", + "RMSD_pair | \n", + "RMSD_sum | \n", + "
|---|---|---|---|---|---|
| 28 | \n", + "4AKE_B | \n", + "-3.357762 | \n", + "2ECK_B | \n", + "-3.759513 | \n", + "-7.117275 | \n", + "
| 25 | \n", + "1FMF-4_A | \n", + "-1.511834 | \n", + "1ID8-11_A | \n", + "-1.478940 | \n", + "-2.990774 | \n", + "
| 6 | \n", + "1TJD_A | \n", + "-0.712956 | \n", + "1EEJ_B | \n", + "-0.441966 | \n", + "-1.154923 | \n", + "
| 27 | \n", + "2L50-24_A | \n", + "-0.429687 | \n", + "2L51-15_B | \n", + "-0.681335 | \n", + "-1.111022 | \n", + "
| 10 | \n", + "1NTR-7_A | \n", + "-0.378808 | \n", + "1KRX-4_A | \n", + "-0.487784 | \n", + "-0.866592 | \n", + "
| 15 | \n", + "1JFJ-3_A | \n", + "-0.071992 | \n", + "1JFK_A | \n", + "-0.402335 | \n", + "-0.474327 | \n", + "
| 16 | \n", + "1LIP-2_A | \n", + "-0.495849 | \n", + "1JTB-6_A | \n", + "0.065737 | \n", + "-0.430112 | \n", + "
| 18 | \n", + "2RCS_H | \n", + "1.211920 | \n", + "1AJ7_H | \n", + "-1.491750 | \n", + "-0.279830 | \n", + "
| 39 | \n", + "1MUT-11_A | \n", + "-0.051301 | \n", + "1PUN-7_A | \n", + "-0.226884 | \n", + "-0.278185 | \n", + "
| 22 | \n", + "2NLN-4_A | \n", + "-0.414035 | \n", + "1RRO_A | \n", + "0.223240 | \n", + "-0.190795 | \n", + "
| 29 | \n", + "1GH1-7_A | \n", + "-0.270299 | \n", + "1CZ2-8_A | \n", + "0.102049 | \n", + "-0.168250 | \n", + "
| 14 | \n", + "1VIY_C | \n", + "-0.149134 | \n", + "1VHL_A | \n", + "0.060158 | \n", + "-0.088976 | \n", + "
| 36 | \n", + "2JU3-3_A | \n", + "-0.130023 | \n", + "2JU8-9_A | \n", + "0.043151 | \n", + "-0.086872 | \n", + "
| 2 | \n", + "2D9E-12_A | \n", + "-0.061502 | \n", + "2RS9-13_B | \n", + "-0.007352 | \n", + "-0.068854 | \n", + "
| 37 | \n", + "1LMZ-9_A | \n", + "-0.013715 | \n", + "1P7M-18_A | \n", + "0.009654 | \n", + "-0.004061 | \n", + "
| 0 | \n", + "1XSA-23_A | \n", + "0.377315 | \n", + "1XSC-20_A | \n", + "-0.380714 | \n", + "-0.003399 | \n", + "
| 11 | \n", + "1S2O_A | \n", + "-0.112328 | \n", + "1TJ5_A | \n", + "0.136114 | \n", + "0.023786 | \n", + "
| 31 | \n", + "2UZ5-9_A | \n", + "-0.041580 | \n", + "2VCD-8_A | \n", + "0.076918 | \n", + "0.035338 | \n", + "
| 32 | \n", + "2LAO_A | \n", + "0.077595 | \n", + "1LAH_E | \n", + "-0.007499 | \n", + "0.070096 | \n", + "
| 38 | \n", + "2CJO-5_A | \n", + "0.026374 | \n", + "1ROE-10_A | \n", + "0.051154 | \n", + "0.077528 | \n", + "
| 12 | \n", + "1JM4-15_B | \n", + "2.176387 | \n", + "1WUM_A | \n", + "-2.082317 | \n", + "0.094070 | \n", + "
| 34 | \n", + "1W4U-9_A | \n", + "0.132147 | \n", + "1UR6-4_A | \n", + "0.004065 | \n", + "0.136213 | \n", + "
| 9 | \n", + "1ZOL_A | \n", + "0.168355 | \n", + "1O03_A | \n", + "-0.031728 | \n", + "0.136627 | \n", + "
| 7 | \n", + "2F63-4_A | \n", + "0.107709 | \n", + "1EQM_A | \n", + "0.034128 | \n", + "0.141838 | \n", + "
| 26 | \n", + "2JWW-13_A | \n", + "0.044969 | \n", + "1RTP_1 | \n", + "0.165603 | \n", + "0.210572 | \n", + "
| 21 | \n", + "2K43-1_A | \n", + "0.000972 | \n", + "2K8R-1_A | \n", + "0.263070 | \n", + "0.264042 | \n", + "
| 1 | \n", + "1K2H-4_A | \n", + "0.009438 | \n", + "1ZFS-13_B | \n", + "0.309945 | \n", + "0.319383 | \n", + "
| 24 | \n", + "1IJA-15_A | \n", + "0.822979 | \n", + "2KID-4_A | \n", + "-0.350575 | \n", + "0.472404 | \n", + "
| 17 | \n", + "1AEL-12_A | \n", + "0.107746 | \n", + "1URE-8_A | \n", + "0.371918 | \n", + "0.479664 | \n", + "
| 35 | \n", + "1SYM-2_B | \n", + "0.239874 | \n", + "1XYD-15_B | \n", + "0.267082 | \n", + "0.506955 | \n", + "
| 20 | \n", + "1SKT-10_A | \n", + "-2.724002 | \n", + "1TNQ-33_A | \n", + "3.321479 | \n", + "0.597477 | \n", + "
| 5 | \n", + "2KXL-8_A | \n", + "0.236057 | \n", + "2K0G-9_A | \n", + "0.469992 | \n", + "0.706050 | \n", + "
| 19 | \n", + "2CG7_A | \n", + "0.474843 | \n", + "2CG6_A | \n", + "0.314505 | \n", + "0.789347 | \n", + "
| 4 | \n", + "2AI6-18_A | \n", + "0.495220 | \n", + "2OZW-3_A | \n", + "0.649469 | \n", + "1.144689 | \n", + "
| 8 | \n", + "2LKC-4_A | \n", + "0.652920 | \n", + "2LKD-18_A | \n", + "0.745633 | \n", + "1.398553 | \n", + "
| 23 | \n", + "1WD7_B | \n", + "1.107016 | \n", + "1WCW_A | \n", + "0.615900 | \n", + "1.722916 | \n", + "
| 13 | \n", + "1MO7-3_A | \n", + "1.072619 | \n", + "1MO8-14_A | \n", + "1.075573 | \n", + "2.148192 | \n", + "
| 3 | \n", + "1EX6_B | \n", + "4.352210 | \n", + "1EX7_A | \n", + "-1.656571 | \n", + "2.695638 | \n", + "
| 30 | \n", + "1F3Y-17_A | \n", + "2.519273 | \n", + "1JKN-15_A | \n", + "0.381965 | \n", + "2.901238 | \n", + "
| 33 | \n", + "1ORM-9_A | \n", + "0.611532 | \n", + "1QJ8_A | \n", + "3.358392 | \n", + "3.969924 | \n", + "
| \n", + " | Value | \n", + "
|---|---|
| count | \n", + "80.000000 | \n", + "
| mean | \n", + "4.541702 | \n", + "
| std | \n", + "4.146548 | \n", + "
| min | \n", + "1.093737 | \n", + "
| 25% | \n", + "2.336225 | \n", + "
| 50% | \n", + "3.348509 | \n", + "
| 75% | \n", + "4.470605 | \n", + "
| max | \n", + "18.923018 | \n", + "
| \n", + " | ID | \n", + "RMSD | \n", + "ID_pair | \n", + "RMSD_pair | \n", + "
|---|---|---|---|---|
| 0 | \n", + "1XSA-23_A | \n", + "4.088649 | \n", + "1XSC-20_A | \n", + "2.449033 | \n", + "
| 1 | \n", + "1K2H-4_A | \n", + "6.395007 | \n", + "1ZFS-13_B | \n", + "2.730790 | \n", + "
| 2 | \n", + "2D9E-12_A | \n", + "3.590703 | \n", + "2RS9-13_B | \n", + "3.332593 | \n", + "
| 3 | \n", + "1EX6_B | \n", + "3.072443 | \n", + "1EX7_A | \n", + "2.095554 | \n", + "
| 4 | \n", + "2AI6-18_A | \n", + "2.787221 | \n", + "2OZW-3_A | \n", + "3.629375 | \n", + "
| 5 | \n", + "2KXL-8_A | \n", + "3.886023 | \n", + "2K0G-9_A | \n", + "3.428072 | \n", + "
| 6 | \n", + "1TJD_A | \n", + "1.699306 | \n", + "1EEJ_B | \n", + "2.047089 | \n", + "
| 7 | \n", + "2F63-4_A | \n", + "2.203836 | \n", + "1EQM_A | \n", + "3.364425 | \n", + "
| 8 | \n", + "2LKC-4_A | \n", + "7.930577 | \n", + "2LKD-18_A | \n", + "5.965340 | \n", + "
| 9 | \n", + "1ZOL_A | \n", + "2.488429 | \n", + "1O03_A | \n", + "2.401163 | \n", + "
| 10 | \n", + "1NTR-7_A | \n", + "4.753572 | \n", + "1KRX-4_A | \n", + "3.417161 | \n", + "
| 11 | \n", + "1S2O_A | \n", + "2.298824 | \n", + "1TJ5_A | \n", + "1.740976 | \n", + "
| 12 | \n", + "1JM4-15_B | \n", + "4.142814 | \n", + "1WUM_A | \n", + "5.600694 | \n", + "
| 13 | \n", + "1MO7-3_A | \n", + "18.587776 | \n", + "1MO8-14_A | \n", + "18.085796 | \n", + "
| 14 | \n", + "1VIY_C | \n", + "2.355502 | \n", + "1VHL_A | \n", + "2.196483 | \n", + "
| 15 | \n", + "1JFJ-3_A | \n", + "7.452876 | \n", + "1JFK_A | \n", + "11.185952 | \n", + "
| 16 | \n", + "1LIP-2_A | \n", + "1.827557 | \n", + "1JTB-6_A | \n", + "2.721725 | \n", + "
| 17 | \n", + "1AEL-12_A | \n", + "2.695548 | \n", + "1URE-8_A | \n", + "1.610494 | \n", + "
| 18 | \n", + "2RCS_H | \n", + "4.188856 | \n", + "1AJ7_H | \n", + "5.110108 | \n", + "
| 19 | \n", + "2CG7_A | \n", + "2.424401 | \n", + "2CG6_A | \n", + "7.207494 | \n", + "
| 20 | \n", + "1SKT-10_A | \n", + "3.980454 | \n", + "1TNQ-33_A | \n", + "5.227322 | \n", + "
| 21 | \n", + "2K43-1_A | \n", + "2.730869 | \n", + "2K8R-1_A | \n", + "3.743968 | \n", + "
| 22 | \n", + "2NLN-4_A | \n", + "3.774021 | \n", + "1RRO_A | \n", + "1.115316 | \n", + "
| 23 | \n", + "1WD7_B | \n", + "4.692209 | \n", + "1WCW_A | \n", + "1.590802 | \n", + "
| 24 | \n", + "1IJA-15_A | \n", + "4.365927 | \n", + "2KID-4_A | \n", + "1.972267 | \n", + "
| 25 | \n", + "1FMF-4_A | \n", + "15.722758 | \n", + "1ID8-11_A | \n", + "16.538683 | \n", + "
| 26 | \n", + "2JWW-13_A | \n", + "2.693658 | \n", + "1RTP_1 | \n", + "1.093737 | \n", + "
| 27 | \n", + "2L50-24_A | \n", + "4.130370 | \n", + "2L51-15_B | \n", + "4.283101 | \n", + "
| 28 | \n", + "4AKE_B | \n", + "18.923018 | \n", + "2ECK_B | \n", + "18.356681 | \n", + "
| 29 | \n", + "1GH1-7_A | \n", + "2.296116 | \n", + "1CZ2-8_A | \n", + "2.438382 | \n", + "
| 30 | \n", + "1F3Y-17_A | \n", + "5.649862 | \n", + "1JKN-15_A | \n", + "3.819941 | \n", + "
| 31 | \n", + "2UZ5-9_A | \n", + "3.081782 | \n", + "2VCD-8_A | \n", + "1.579134 | \n", + "
| 32 | \n", + "2LAO_A | \n", + "4.117751 | \n", + "1LAH_E | \n", + "1.436989 | \n", + "
| 33 | \n", + "1ORM-9_A | \n", + "5.581598 | \n", + "1QJ8_A | \n", + "2.797717 | \n", + "
| 34 | \n", + "1W4U-9_A | \n", + "2.277351 | \n", + "1UR6-4_A | \n", + "2.309576 | \n", + "
| 35 | \n", + "1SYM-2_B | \n", + "5.599597 | \n", + "1XYD-15_B | \n", + "2.345108 | \n", + "
| 36 | \n", + "2JU3-3_A | \n", + "2.979101 | \n", + "2JU8-9_A | \n", + "1.880854 | \n", + "
| 37 | \n", + "1LMZ-9_A | \n", + "2.849543 | \n", + "1P7M-18_A | \n", + "2.488432 | \n", + "
| 38 | \n", + "2CJO-5_A | \n", + "1.447232 | \n", + "1ROE-10_A | \n", + "4.396737 | \n", + "
| 39 | \n", + "1MUT-11_A | \n", + "3.955399 | \n", + "1PUN-7_A | \n", + "3.882568 | \n", + "
| \n", + " | ID | \n", + "RMSD | \n", + "ID_pair | \n", + "RMSD_pair | \n", + "RMSD_sum | \n", + "
|---|---|---|---|---|---|
| 15 | \n", + "1JFJ-3_A | \n", + "-6.162395 | \n", + "1JFK_A | \n", + "-2.109873 | \n", + "-8.272268 | \n", + "
| 28 | \n", + "4AKE_B | \n", + "-2.313638 | \n", + "2ECK_B | \n", + "-4.337800 | \n", + "-6.651437 | \n", + "
| 13 | \n", + "1MO7-3_A | \n", + "-2.238847 | \n", + "1MO8-14_A | \n", + "-1.583627 | \n", + "-3.822474 | \n", + "
| 6 | \n", + "1TJD_A | \n", + "-0.797425 | \n", + "1EEJ_B | \n", + "-0.969317 | \n", + "-1.766742 | \n", + "
| 25 | \n", + "1FMF-4_A | \n", + "-0.902580 | \n", + "1ID8-11_A | \n", + "-0.568527 | \n", + "-1.471107 | \n", + "
| 14 | \n", + "1VIY_C | \n", + "-0.440276 | \n", + "1VHL_A | \n", + "-0.355732 | \n", + "-0.796008 | \n", + "
| 16 | \n", + "1LIP-2_A | \n", + "-0.450644 | \n", + "1JTB-6_A | \n", + "-0.233744 | \n", + "-0.684389 | \n", + "
| 23 | \n", + "1WD7_B | \n", + "-0.426444 | \n", + "1WCW_A | \n", + "-0.177141 | \n", + "-0.603586 | \n", + "
| 29 | \n", + "1GH1-7_A | \n", + "-0.236910 | \n", + "1CZ2-8_A | \n", + "-0.257443 | \n", + "-0.494353 | \n", + "
| 0 | \n", + "1XSA-23_A | \n", + "0.175216 | \n", + "1XSC-20_A | \n", + "-0.599066 | \n", + "-0.423850 | \n", + "
| 21 | \n", + "2K43-1_A | \n", + "-0.136939 | \n", + "2K8R-1_A | \n", + "-0.267460 | \n", + "-0.404399 | \n", + "
| 7 | \n", + "2F63-4_A | \n", + "0.256971 | \n", + "1EQM_A | \n", + "-0.602221 | \n", + "-0.345251 | \n", + "
| 37 | \n", + "1LMZ-9_A | \n", + "-0.553248 | \n", + "1P7M-18_A | \n", + "0.224645 | \n", + "-0.328604 | \n", + "
| 35 | \n", + "1SYM-2_B | \n", + "-0.699858 | \n", + "1XYD-15_B | \n", + "0.451037 | \n", + "-0.248821 | \n", + "
| 2 | \n", + "2D9E-12_A | \n", + "-0.304322 | \n", + "2RS9-13_B | \n", + "0.214089 | \n", + "-0.090233 | \n", + "
| 38 | \n", + "2CJO-5_A | \n", + "-0.032515 | \n", + "1ROE-10_A | \n", + "-0.040185 | \n", + "-0.072700 | \n", + "
| 36 | \n", + "2JU3-3_A | \n", + "-0.078532 | \n", + "2JU8-9_A | \n", + "0.060872 | \n", + "-0.017660 | \n", + "
| 31 | \n", + "2UZ5-9_A | \n", + "-0.072986 | \n", + "2VCD-8_A | \n", + "0.075184 | \n", + "0.002199 | \n", + "
| 5 | \n", + "2KXL-8_A | \n", + "-0.340133 | \n", + "2K0G-9_A | \n", + "0.360263 | \n", + "0.020130 | \n", + "
| 39 | \n", + "1MUT-11_A | \n", + "0.248197 | \n", + "1PUN-7_A | \n", + "-0.148158 | \n", + "0.100039 | \n", + "
| 34 | \n", + "1W4U-9_A | \n", + "-0.003798 | \n", + "1UR6-4_A | \n", + "0.136138 | \n", + "0.132340 | \n", + "
| 27 | \n", + "2L50-24_A | \n", + "0.507718 | \n", + "2L51-15_B | \n", + "-0.299215 | \n", + "0.208503 | \n", + "
| 10 | \n", + "1NTR-7_A | \n", + "0.375105 | \n", + "1KRX-4_A | \n", + "-0.094956 | \n", + "0.280150 | \n", + "
| 17 | \n", + "1AEL-12_A | \n", + "0.210019 | \n", + "1URE-8_A | \n", + "0.111766 | \n", + "0.321785 | \n", + "
| 11 | \n", + "1S2O_A | \n", + "-0.820904 | \n", + "1TJ5_A | \n", + "1.158098 | \n", + "0.337194 | \n", + "
| 22 | \n", + "2NLN-4_A | \n", + "-0.124115 | \n", + "1RRO_A | \n", + "0.499563 | \n", + "0.375447 | \n", + "
| 1 | \n", + "1K2H-4_A | \n", + "-0.190622 | \n", + "1ZFS-13_B | \n", + "0.607600 | \n", + "0.416978 | \n", + "
| 32 | \n", + "2LAO_A | \n", + "-0.549072 | \n", + "1LAH_E | \n", + "1.009201 | \n", + "0.460128 | \n", + "
| 3 | \n", + "1EX6_B | \n", + "1.771503 | \n", + "1EX7_A | \n", + "-1.292616 | \n", + "0.478887 | \n", + "
| 24 | \n", + "1IJA-15_A | \n", + "1.022753 | \n", + "2KID-4_A | \n", + "-0.414566 | \n", + "0.608187 | \n", + "
| 8 | \n", + "2LKC-4_A | \n", + "-0.141358 | \n", + "2LKD-18_A | \n", + "0.802341 | \n", + "0.660983 | \n", + "
| 26 | \n", + "2JWW-13_A | \n", + "0.036775 | \n", + "1RTP_1 | \n", + "0.631301 | \n", + "0.668076 | \n", + "
| 4 | \n", + "2AI6-18_A | \n", + "0.318086 | \n", + "2OZW-3_A | \n", + "0.446006 | \n", + "0.764092 | \n", + "
| 20 | \n", + "1SKT-10_A | \n", + "-1.072455 | \n", + "1TNQ-33_A | \n", + "2.033404 | \n", + "0.960949 | \n", + "
| 9 | \n", + "1ZOL_A | \n", + "-0.373472 | \n", + "1O03_A | \n", + "1.413874 | \n", + "1.040402 | \n", + "
| 18 | \n", + "2RCS_H | \n", + "-1.187237 | \n", + "1AJ7_H | \n", + "2.490451 | \n", + "1.303214 | \n", + "
| 33 | \n", + "1ORM-9_A | \n", + "-0.074147 | \n", + "1QJ8_A | \n", + "1.515841 | \n", + "1.441694 | \n", + "
| 19 | \n", + "2CG7_A | \n", + "1.498914 | \n", + "2CG6_A | \n", + "1.014744 | \n", + "2.513658 | \n", + "
| 12 | \n", + "1JM4-15_B | \n", + "1.197003 | \n", + "1WUM_A | \n", + "1.655569 | \n", + "2.852571 | \n", + "
| 30 | \n", + "1F3Y-17_A | \n", + "2.290361 | \n", + "1JKN-15_A | \n", + "1.114371 | \n", + "3.404731 | \n", + "
| \n", + " | name | \n", + "name_alt | \n", + "type_a | \n", + "type_b | \n", + "comparison | \n", + "fname_a | \n", + "fname_b | \n", + "rmsd | \n", + "lddt | \n", + "saxs_kldiv | \n", + "... | \n", + "rg_b | \n", + "rg_diff | \n", + "plddt_a | \n", + "plddt_bins_a | \n", + "plddt_b | \n", + "plddt_bins_b | \n", + "saxs_bins_a | \n", + "saxs_a | \n", + "saxs_bins_b | \n", + "saxs_b | \n", + "
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 0 | \n", + "1MO8-14_A | \n", + "1MO7-3_A | \n", + "out_AF | \n", + "target | \n", + "out_AF_vs_target | \n", + "/global/cfs/cdirs/m4704/100125_Nature_Com_data... | \n", + "/global/cfs/cdirs/m4704/100125_Nature_Com_data... | \n", + "20.020442 | \n", + "0.250553 | \n", + "0.140280 | \n", + "... | \n", + "1.725501 | \n", + "0.330997 | \n", + "[38.98 41.64 40.08 38.9 41.82 40.62 47.12 42.... | \n", + "[ 1 2 3 4 5 6 7 8 9 10 11 ... | \n", + "[0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. ... | \n", + "[383 384 385 386 387 388 389 390 391 392 393 3... | \n", + "[ 0. 0.5 1. 1.5 2. 2.5 3. 3.5 4. ... | \n", + "[0.00000000e+00 0.00000000e+00 0.00000000e+00 ... | \n", + "[ 0. 0.5 1. 1.5 2. 2.5 3. 3.5 4. ... | \n", + "[0.00000000e+00 0.00000000e+00 2.98513331e-06 ... | \n", + "
| 1 | \n", + "1MO8-14_A | \n", + "1MO7-3_A | \n", + "out_NMR | \n", + "target | \n", + "out_NMR_vs_target | \n", + "/global/cfs/cdirs/m4704/100125_Nature_Com_data... | \n", + "/global/cfs/cdirs/m4704/100125_Nature_Com_data... | \n", + "18.229737 | \n", + "0.210920 | \n", + "0.529228 | \n", + "... | \n", + "1.725501 | \n", + "0.418606 | \n", + "[29.1 30.46 30.7 31.75 33.08 33.68 33.02 31.... | \n", + "[ 1 2 3 4 5 6 7 8 9 10 11 ... | \n", + "[0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. ... | \n", + "[383 384 385 386 387 388 389 390 391 392 393 3... | \n", + "[ 0. 0.5 1. 1.5 2. 2.5 3. 3.5 4. ... | \n", + "[0.00000000e+00 2.77219620e-06 3.49296721e-05 ... | \n", + "[ 0. 0.5 1. 1.5 2. 2.5 3. 3.5 4. ... | \n", + "[0.00000000e+00 0.00000000e+00 2.98513331e-06 ... | \n", + "
| 2 | \n", + "1MO8-14_A | \n", + "1MO7-3_A | \n", + "out_NMA | \n", + "target | \n", + "out_NMA_vs_target | \n", + "/global/cfs/cdirs/m4704/100125_Nature_Com_data... | \n", + "/global/cfs/cdirs/m4704/100125_Nature_Com_data... | \n", + "20.796509 | \n", + "0.239703 | \n", + "0.241372 | \n", + "... | \n", + "1.725501 | \n", + "0.312689 | \n", + "[33.79 29.31 33.56 35.02 34.39 37.44 35.08 39.... | \n", + "[ 1 2 3 4 5 6 7 8 9 10 11 ... | \n", + "[0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. ... | \n", + "[383 384 385 386 387 388 389 390 391 392 393 3... | \n", + "[ 0. 0.5 1. 1.5 2. 2.5 3. 3.5 4. ... | \n", + "[0.00000000e+00 6.84895531e-07 1.31108573e-05 ... | \n", + "[ 0. 0.5 1. 1.5 2. 2.5 3. 3.5 4. ... | \n", + "[0.00000000e+00 0.00000000e+00 2.98513331e-06 ... | \n", + "
| 3 | \n", + "1MO8-14_A | \n", + "1MO7-3_A | \n", + "out_AF | \n", + "out_alt_AF | \n", + "out_AF_vs_out_alt_AF | \n", + "/global/cfs/cdirs/m4704/100125_Nature_Com_data... | \n", + "/global/cfs/cdirs/m4704/100125_Nature_Com_data... | \n", + "1.784786 | \n", + "0.948959 | \n", + "0.000388 | \n", + "... | \n", + "2.039674 | \n", + "0.016824 | \n", + "[38.98 41.64 40.08 38.9 41.82 40.62 47.12 42.... | \n", + "[ 1 2 3 4 5 6 7 8 9 10 11 ... | \n", + "[40.95 43.54 41.39 39.65 42.98 41.53 47.89 45.... | \n", + "[ 1 2 3 4 5 6 7 8 9 10 11 ... | \n", + "[ 0. 0.5 1. 1.5 2. 2.5 3. 3.5 4. ... | \n", + "[0.00000000e+00 0.00000000e+00 0.00000000e+00 ... | \n", + "[ 0. 0.5 1. 1.5 2. 2.5 3. 3.5 4. ... | \n", + "[0.00000000e+00 0.00000000e+00 0.00000000e+00 ... | \n", + "
| 4 | \n", + "1MO8-14_A | \n", + "1MO7-3_A | \n", + "out_NMR | \n", + "out_alt_NMR | \n", + "out_NMR_vs_out_alt_NMR | \n", + "/global/cfs/cdirs/m4704/100125_Nature_Com_data... | \n", + "/global/cfs/cdirs/m4704/100125_Nature_Com_data... | \n", + "3.615357 | \n", + "0.750860 | \n", + "0.006207 | \n", + "... | \n", + "2.213060 | \n", + "-0.068953 | \n", + "[29.1 30.46 30.7 31.75 33.08 33.68 33.02 31.... | \n", + "[ 1 2 3 4 5 6 7 8 9 10 11 ... | \n", + "[29.28 30.06 31.51 32.37 34.01 34.84 33.93 32.... | \n", + "[ 1 2 3 4 5 6 7 8 9 10 11 ... | \n", + "[ 0. 0.5 1. 1.5 2. 2.5 3. 3.5 4. ... | \n", + "[0.00000000e+00 2.77219620e-06 3.49296721e-05 ... | \n", + "[ 0. 0.5 1. 1.5 2. 2.5 3. 3.5 4. ... | \n", + "[0.00000000e+00 1.85900216e-06 2.58466528e-05 ... | \n", + "
| ... | \n", + "... | \n", + "... | \n", + "... | \n", + "... | \n", + "... | \n", + "... | \n", + "... | \n", + "... | \n", + "... | \n", + "... | \n", + "... | \n", + "... | \n", + "... | \n", + "... | \n", + "... | \n", + "... | \n", + "... | \n", + "... | \n", + "... | \n", + "... | \n", + "... | \n", + "
| 795 | \n", + "2KID-4_A | \n", + "1IJA-15_A | \n", + "out_NMA | \n", + "out_alt_NMA | \n", + "out_NMA_vs_out_alt_NMA | \n", + "/global/cfs/cdirs/m4704/100125_Nature_Com_data... | \n", + "/global/cfs/cdirs/m4704/100125_Nature_Com_data... | \n", + "0.204694 | \n", + "0.999395 | \n", + "0.000057 | \n", + "... | \n", + "1.528825 | \n", + "-0.002023 | \n", + "[27.13 31.73 47. 57.39 65.36 71.63 77.73 75.... | \n", + "[ 1 2 3 4 5 6 7 8 9 10 11 ... | \n", + "[26.92 31.28 46.29 56.66 65.17 71.05 77.28 74.... | \n", + "[ 1 2 3 4 5 6 7 8 9 10 11 ... | \n", + "[ 0. 0.5 1. 1.5 2. 2.5 3. 3.5 4. ... | \n", + "[0.00000000e+00 0.00000000e+00 9.78568322e-06 ... | \n", + "[ 0. 0.5 1. 1.5 2. 2.5 3. 3.5 4. ... | \n", + "[0.00000000e+00 0.00000000e+00 8.38772847e-06 ... | \n", + "
| 796 | \n", + "2KID-4_A | \n", + "1IJA-15_A | \n", + "target | \n", + "target_alt | \n", + "target_vs_target_alt | \n", + "/global/cfs/cdirs/m4704/100125_Nature_Com_data... | \n", + "/global/cfs/cdirs/m4704/100125_Nature_Com_data... | \n", + "4.538443 | \n", + "0.730218 | \n", + "0.020793 | \n", + "... | \n", + "1.488638 | \n", + "0.030582 | \n", + "[0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. ... | \n", + "[ 59 60 61 62 63 64 65 66 67 68 69 ... | \n", + "[0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. 0. ... | \n", + "[ 1 2 3 4 5 6 7 8 9 10 11 ... | \n", + "[ 0. 0.5 1. 1.5 2. 2.5 3. 3.5 4. ... | \n", + "[0.00000000e+00 0.00000000e+00 3.60851823e-05 ... | \n", + "[ 0. 0.5 1. 1.5 2. 2.5 3. 3.5 4. ... | \n", + "[0.00000000e+00 0.00000000e+00 3.73521860e-05 ... | \n", + "
| 797 | \n", + "2KID-4_A | \n", + "1IJA-15_A | \n", + "out_AF | \n", + "out_NMR | \n", + "out_AF_vs_out_NMR | \n", + "/global/cfs/cdirs/m4704/100125_Nature_Com_data... | \n", + "/global/cfs/cdirs/m4704/100125_Nature_Com_data... | \n", + "2.805431 | \n", + "0.854381 | \n", + "0.004671 | \n", + "... | \n", + "1.530174 | \n", + "-0.051157 | \n", + "[40.81 43.56 58.38 62.68 68.94 71.19 80.43 80.... | \n", + "[ 1 2 3 4 5 6 7 8 9 10 11 ... | \n", + "[40.19 43.96 47.95 53.09 57.9 60.61 62.69 64.... | \n", + "[ 1 2 3 4 5 6 7 8 9 10 11 ... | \n", + "[ 0. 0.5 1. 1.5 2. 2.5 3. 3.5 4. ... | \n", + "[0.00000000e+00 0.00000000e+00 0.00000000e+00 ... | \n", + "[ 0. 0.5 1. 1.5 2. 2.5 3. 3.5 4. ... | \n", + "[0.00000000e+00 0.00000000e+00 1.11836380e-05 ... | \n", + "
| 798 | \n", + "2KID-4_A | \n", + "1IJA-15_A | \n", + "out_AF | \n", + "out_NMA | \n", + "out_AF_vs_out_NMA | \n", + "/global/cfs/cdirs/m4704/100125_Nature_Com_data... | \n", + "/global/cfs/cdirs/m4704/100125_Nature_Com_data... | \n", + "1.664532 | \n", + "0.919058 | \n", + "0.004050 | \n", + "... | \n", + "1.526803 | \n", + "-0.047786 | \n", + "[40.81 43.56 58.38 62.68 68.94 71.19 80.43 80.... | \n", + "[ 1 2 3 4 5 6 7 8 9 10 11 ... | \n", + "[27.13 31.73 47. 57.39 65.36 71.63 77.73 75.... | \n", + "[ 1 2 3 4 5 6 7 8 9 10 11 ... | \n", + "[ 0. 0.5 1. 1.5 2. 2.5 3. 3.5 4. ... | \n", + "[0.00000000e+00 0.00000000e+00 0.00000000e+00 ... | \n", + "[ 0. 0.5 1. 1.5 2. 2.5 3. 3.5 4. ... | \n", + "[0.00000000e+00 0.00000000e+00 9.78568322e-06 ... | \n", + "
| 799 | \n", + "2KID-4_A | \n", + "1IJA-15_A | \n", + "out_NMR | \n", + "out_NMA | \n", + "out_NMR_vs_out_NMA | \n", + "/global/cfs/cdirs/m4704/100125_Nature_Com_data... | \n", + "/global/cfs/cdirs/m4704/100125_Nature_Com_data... | \n", + "2.253945 | \n", + "0.859861 | \n", + "0.000342 | \n", + "... | \n", + "1.526803 | \n", + "0.003371 | \n", + "[40.19 43.96 47.95 53.09 57.9 60.61 62.69 64.... | \n", + "[ 1 2 3 4 5 6 7 8 9 10 11 ... | \n", + "[27.13 31.73 47. 57.39 65.36 71.63 77.73 75.... | \n", + "[ 1 2 3 4 5 6 7 8 9 10 11 ... | \n", + "[ 0. 0.5 1. 1.5 2. 2.5 3. 3.5 4. ... | \n", + "[0.00000000e+00 0.00000000e+00 1.11836380e-05 ... | \n", + "[ 0. 0.5 1. 1.5 2. 2.5 3. 3.5 4. ... | \n", + "[0.00000000e+00 0.00000000e+00 9.78568322e-06 ... | \n", + "
800 rows × 22 columns
\n", + "| \n", + " | name | \n", + "rmsd | \n", + "saxs_l1 | \n", + "rg_diff | \n", + "rg_diff_A | \n", + "
|---|---|---|---|---|---|
| 1 | \n", + "1MO8-14_A | \n", + "18.229737 | \n", + "0.343871 | \n", + "0.418606 | \n", + "4.186059 | \n", + "
| 11 | \n", + "1EEJ_B | \n", + "2.180189 | \n", + "0.023175 | \n", + "0.001024 | \n", + "0.010239 | \n", + "
| 21 | \n", + "1XSC-20_A | \n", + "2.489262 | \n", + "0.082236 | \n", + "0.056433 | \n", + "0.564328 | \n", + "
| 31 | \n", + "1ROE-10_A | \n", + "4.396150 | \n", + "0.051938 | \n", + "0.022723 | \n", + "0.227234 | \n", + "
| 41 | \n", + "1F3Y-17_A | \n", + "5.412932 | \n", + "0.059412 | \n", + "0.014916 | \n", + "0.149157 | \n", + "
| ... | \n", + "... | \n", + "... | \n", + "... | \n", + "... | \n", + "... | \n", + "
| 751 | \n", + "1XYD-15_B | \n", + "2.074394 | \n", + "0.028708 | \n", + "-0.003332 | \n", + "-0.033323 | \n", + "
| 761 | \n", + "2OZW-3_A | \n", + "3.577565 | \n", + "0.058270 | \n", + "0.045961 | \n", + "0.459614 | \n", + "
| 771 | \n", + "1LMZ-9_A | \n", + "2.827108 | \n", + "0.091597 | \n", + "-0.114271 | \n", + "-1.142706 | \n", + "
| 781 | \n", + "1JTB-6_A | \n", + "2.678334 | \n", + "0.081058 | \n", + "0.053411 | \n", + "0.534111 | \n", + "
| 791 | \n", + "2KID-4_A | \n", + "1.894278 | \n", + "0.030278 | \n", + "0.010954 | \n", + "0.109540 | \n", + "
80 rows × 5 columns
\n", + "| \n", + " | name | \n", + "rmsd | \n", + "saxs_l1 | \n", + "rg_diff | \n", + "rg_diff_A | \n", + "type | \n", + "OpenFold Accuracy | \n", + "
|---|---|---|---|---|---|---|---|
| 210 | \n", + "1RTP_1 | \n", + "0.452119 | \n", + "0.016575 | \n", + "-0.004954 | \n", + "-0.049541 | \n", + "OpenFold | \n", + "High | \n", + "
| 320 | \n", + "1O03_A | \n", + "0.956601 | \n", + "0.010943 | \n", + "-0.055267 | \n", + "-0.552673 | \n", + "OpenFold | \n", + "High | \n", + "
| 460 | \n", + "2CG7_A | \n", + "0.931586 | \n", + "0.032012 | \n", + "-0.035812 | \n", + "-0.358123 | \n", + "OpenFold | \n", + "High | \n", + "
| 500 | \n", + "1RRO_A | \n", + "0.608854 | \n", + "0.020704 | \n", + "-0.008301 | \n", + "-0.083007 | \n", + "OpenFold | \n", + "High | \n", + "
| 620 | \n", + "1LAH_E | \n", + "0.433919 | \n", + "0.007342 | \n", + "0.004867 | \n", + "0.048674 | \n", + "OpenFold | \n", + "High | \n", + "
| 640 | \n", + "1TJ5_A | \n", + "0.589024 | \n", + "0.009502 | \n", + "-0.024977 | \n", + "-0.249766 | \n", + "OpenFold | \n", + "High | \n", + "
| \n", + " | name | \n", + "name_alt | \n", + "rmsd | \n", + "saxs_l1 | \n", + "rmsd_ref | \n", + "saxs_l1_ref | \n", + "model | \n", + "Apo vs Holo Similarity | \n", + "
|---|---|---|---|---|---|---|---|---|
| 0 | \n", + "1F3Y-17_A | \n", + "1JKN-15_A | \n", + "0.522948 | \n", + "0.007856 | \n", + "5.077047 | \n", + "0.134375 | \n", + "AlphaSAXS | \n", + "Low | \n", + "
| 0 | \n", + "1F3Y-17_A | \n", + "1JKN-15_A | \n", + "0.111485 | \n", + "0.004583 | \n", + "5.077047 | \n", + "0.134375 | \n", + "OpenFold | \n", + "Low | \n", + "
| \n", + " | ID | \n", + "Value | \n", + "ID_pair | \n", + "Value_pair | \n", + "type | \n", + "model | \n", + "
|---|---|---|---|---|---|---|
| 0 | \n", + "1XSA-23_A | \n", + "3.966835 | \n", + "1XSC-20_A | \n", + "2.489262 | \n", + "RMSD | \n", + "AlphaSAXS | \n", + "
| 1 | \n", + "1K2H-4_A | \n", + "6.283178 | \n", + "1ZFS-13_B | \n", + "2.555465 | \n", + "RMSD | \n", + "AlphaSAXS | \n", + "
| 2 | \n", + "2D9E-12_A | \n", + "3.527607 | \n", + "2RS9-13_B | \n", + "3.458194 | \n", + "RMSD | \n", + "AlphaSAXS | \n", + "
| 3 | \n", + "1EX6_B | \n", + "3.097864 | \n", + "1EX7_A | \n", + "2.172379 | \n", + "RMSD | \n", + "AlphaSAXS | \n", + "
| 4 | \n", + "2AI6-18_A | \n", + "2.770106 | \n", + "2OZW-3_A | \n", + "3.577565 | \n", + "RMSD | \n", + "AlphaSAXS | \n", + "
| ... | \n", + "... | \n", + "... | \n", + "... | \n", + "... | \n", + "... | \n", + "... | \n", + "
| 35 | \n", + "1SYM-2_B | \n", + "5.831723 | \n", + "1XYD-15_B | \n", + "1.908022 | \n", + "RMSD | \n", + "OpenFold | \n", + "
| 36 | \n", + "2JU3-3_A | \n", + "3.030244 | \n", + "2JU8-9_A | \n", + "1.799868 | \n", + "RMSD | \n", + "OpenFold | \n", + "
| 37 | \n", + "1LMZ-9_A | \n", + "3.400153 | \n", + "1P7M-18_A | \n", + "2.276325 | \n", + "RMSD | \n", + "OpenFold | \n", + "
| 38 | \n", + "2CJO-5_A | \n", + "1.477864 | \n", + "1ROE-10_A | \n", + "4.440145 | \n", + "RMSD | \n", + "OpenFold | \n", + "
| 39 | \n", + "1MUT-11_A | \n", + "3.700894 | \n", + "1PUN-7_A | \n", + "4.030456 | \n", + "RMSD | \n", + "OpenFold | \n", + "
80 rows × 6 columns
\n", + "| \n", + " | ID | \n", + "Value | \n", + "ID_pair | \n", + "Value_pair | \n", + "type | \n", + "model | \n", + "
|---|---|---|---|---|---|---|
| 15 | \n", + "1JFJ-3_A | \n", + "9.334153 | \n", + "1JFK_A | \n", + "10.838048 | \n", + "RMSD | \n", + "AlphaSAXS | \n", + "
| 15 | \n", + "1JFJ-3_A | \n", + "13.630023 | \n", + "1JFK_A | \n", + "13.271120 | \n", + "RMSD | \n", + "OpenFold | \n", + "
| \n", + " | Value | \n", + "Value_pair | \n", + "P(r) Div | \n", + "RMSD Div | \n", + "Ref P(r) Div | \n", + "Ref RMSD Div | \n", + "
|---|---|---|---|---|---|---|
| count | \n", + "40.000000 | \n", + "40.000000 | \n", + "40.000000 | \n", + "40.000000 | \n", + "40.000000 | \n", + "40.000000 | \n", + "
| mean | \n", + "4.790562 | \n", + "4.317596 | \n", + "0.014272 | \n", + "0.591899 | \n", + "0.100604 | \n", + "4.842308 | \n", + "
| std | \n", + "4.129779 | \n", + "4.303178 | \n", + "0.022515 | \n", + "0.820734 | \n", + "0.101900 | \n", + "2.148813 | \n", + "
| min | \n", + "1.486535 | \n", + "1.054575 | \n", + "0.005180 | \n", + "0.126332 | \n", + "0.016368 | \n", + "2.078363 | \n", + "
| 25% | \n", + "2.663962 | \n", + "2.104610 | \n", + "0.006670 | \n", + "0.219907 | \n", + "0.043143 | \n", + "3.299209 | \n", + "
| 50% | \n", + "3.626485 | \n", + "2.771363 | \n", + "0.009281 | \n", + "0.332417 | \n", + "0.069274 | \n", + "4.556831 | \n", + "
| 75% | \n", + "4.699488 | \n", + "4.305283 | \n", + "0.013143 | \n", + "0.524348 | \n", + "0.114983 | \n", + "5.520036 | \n", + "
| max | \n", + "19.080915 | \n", + "18.458424 | \n", + "0.147975 | \n", + "3.951764 | \n", + "0.554710 | \n", + "14.726907 | \n", + "
| \n", + " | Value | \n", + "Value_pair | \n", + "P(r) Div | \n", + "RMSD Div | \n", + "Ref P(r) Div | \n", + "Ref RMSD Div | \n", + "
|---|---|---|---|---|---|---|
| count | \n", + "40.000000 | \n", + "40.000000 | \n", + "40.000000 | \n", + "40.000000 | \n", + "40.000000 | \n", + "40.000000 | \n", + "
| mean | \n", + "5.010425 | \n", + "4.252404 | \n", + "0.007048 | \n", + "0.428535 | \n", + "0.100604 | \n", + "4.842308 | \n", + "
| std | \n", + "4.709924 | \n", + "5.041146 | \n", + "0.007188 | \n", + "0.773541 | \n", + "0.101900 | \n", + "2.148813 | \n", + "
| min | \n", + "0.931586 | \n", + "0.433919 | \n", + "0.001749 | \n", + "0.023663 | \n", + "0.016368 | \n", + "2.078363 | \n", + "
| 25% | \n", + "2.630206 | \n", + "1.883875 | \n", + "0.003398 | \n", + "0.042843 | \n", + "0.043143 | \n", + "3.299209 | \n", + "
| 50% | \n", + "3.408131 | \n", + "2.888778 | \n", + "0.004460 | \n", + "0.075883 | \n", + "0.069274 | \n", + "4.556831 | \n", + "
| 75% | \n", + "5.056472 | \n", + "4.016751 | \n", + "0.007468 | \n", + "0.487600 | \n", + "0.114983 | \n", + "5.520036 | \n", + "
| max | \n", + "21.210043 | \n", + "22.532883 | \n", + "0.041981 | \n", + "4.050386 | \n", + "0.554710 | \n", + "14.726907 | \n", + "
| \n", + " | pdb_filename | \n", + "loss | \n", + "full_path | \n", + "
|---|---|---|---|
| 0 | \n", + "1AEL-12_A_iter_0406.pdb | \n", + "0.024899 | \n", + "/global/cfs/cdirs/m4704/100125_Nature_Com_data... | \n", + "
| 1 | \n", + "1AEL-12_A_iter_0359.pdb | \n", + "0.034293 | \n", + "/global/cfs/cdirs/m4704/100125_Nature_Com_data... | \n", + "
| 2 | \n", + "1AEL-12_A_iter_0478.pdb | \n", + "0.034509 | \n", + "/global/cfs/cdirs/m4704/100125_Nature_Com_data... | \n", + "
| 3 | \n", + "1AEL-12_A_iter_0446.pdb | \n", + "0.035554 | \n", + "/global/cfs/cdirs/m4704/100125_Nature_Com_data... | \n", + "
| 4 | \n", + "1AEL-12_A_iter_0498.pdb | \n", + "0.035625 | \n", + "/global/cfs/cdirs/m4704/100125_Nature_Com_data... | \n", + "
| 5 | \n", + "1AEL-12_A_iter_0486.pdb | \n", + "0.036137 | \n", + "/global/cfs/cdirs/m4704/100125_Nature_Com_data... | \n", + "
| 6 | \n", + "1AEL-12_A_iter_0440.pdb | \n", + "0.036215 | \n", + "/global/cfs/cdirs/m4704/100125_Nature_Com_data... | \n", + "
| 7 | \n", + "1AEL-12_A_iter_0460.pdb | \n", + "0.036710 | \n", + "/global/cfs/cdirs/m4704/100125_Nature_Com_data... | \n", + "
| 8 | \n", + "1AEL-12_A_iter_0491.pdb | \n", + "0.036866 | \n", + "/global/cfs/cdirs/m4704/100125_Nature_Com_data... | \n", + "
| 9 | \n", + "1AEL-12_A_iter_0445.pdb | \n", + "0.037364 | \n", + "/global/cfs/cdirs/m4704/100125_Nature_Com_data... | \n", + "
| 10 | \n", + "1AEL-12_A_iter_0431.pdb | \n", + "0.038276 | \n", + "/global/cfs/cdirs/m4704/100125_Nature_Com_data... | \n", + "
| 11 | \n", + "1AEL-12_A_iter_0465.pdb | \n", + "0.038490 | \n", + "/global/cfs/cdirs/m4704/100125_Nature_Com_data... | \n", + "
| 12 | \n", + "1AEL-12_A_iter_0456.pdb | \n", + "0.038550 | \n", + "/global/cfs/cdirs/m4704/100125_Nature_Com_data... | \n", + "
| 13 | \n", + "1AEL-12_A_iter_0496.pdb | \n", + "0.038685 | \n", + "/global/cfs/cdirs/m4704/100125_Nature_Com_data... | \n", + "
| 14 | \n", + "1AEL-12_A_iter_0421.pdb | \n", + "0.039162 | \n", + "/global/cfs/cdirs/m4704/100125_Nature_Com_data... | \n", + "
| 15 | \n", + "1AEL-12_A_iter_0452.pdb | \n", + "0.039740 | \n", + "/global/cfs/cdirs/m4704/100125_Nature_Com_data... | \n", + "
| 16 | \n", + "1AEL-12_A_iter_0309.pdb | \n", + "0.040116 | \n", + "/global/cfs/cdirs/m4704/100125_Nature_Com_data... | \n", + "
| 17 | \n", + "1AEL-12_A_iter_0415.pdb | \n", + "0.040120 | \n", + "/global/cfs/cdirs/m4704/100125_Nature_Com_data... | \n", + "
| 18 | \n", + "1AEL-12_A_iter_0499.pdb | \n", + "0.040274 | \n", + "/global/cfs/cdirs/m4704/100125_Nature_Com_data... | \n", + "
| 19 | \n", + "1AEL-12_A_iter_0303.pdb | \n", + "0.040620 | \n", + "/global/cfs/cdirs/m4704/100125_Nature_Com_data... | \n", + "
| 20 | \n", + "1AEL-12_A_iter_0386.pdb | \n", + "0.040750 | \n", + "/global/cfs/cdirs/m4704/100125_Nature_Com_data... | \n", + "
| 21 | \n", + "1AEL-12_A_iter_0295.pdb | \n", + "0.040752 | \n", + "/global/cfs/cdirs/m4704/100125_Nature_Com_data... | \n", + "
| 22 | \n", + "1AEL-12_A_iter_0472.pdb | \n", + "0.040975 | \n", + "/global/cfs/cdirs/m4704/100125_Nature_Com_data... | \n", + "
| 23 | \n", + "1AEL-12_A_iter_0484.pdb | \n", + "0.041153 | \n", + "/global/cfs/cdirs/m4704/100125_Nature_Com_data... | \n", + "
| 24 | \n", + "1AEL-12_A_iter_0379.pdb | \n", + "0.041159 | \n", + "/global/cfs/cdirs/m4704/100125_Nature_Com_data... | \n", + "
| 25 | \n", + "1AEL-12_A_iter_0438.pdb | \n", + "0.041264 | \n", + "/global/cfs/cdirs/m4704/100125_Nature_Com_data... | \n", + "
| 26 | \n", + "1AEL-12_A_iter_0376.pdb | \n", + "0.041440 | \n", + "/global/cfs/cdirs/m4704/100125_Nature_Com_data... | \n", + "
| 27 | \n", + "1AEL-12_A_iter_0409.pdb | \n", + "0.041468 | \n", + "/global/cfs/cdirs/m4704/100125_Nature_Com_data... | \n", + "
| 28 | \n", + "1AEL-12_A_iter_0360.pdb | \n", + "0.041511 | \n", + "/global/cfs/cdirs/m4704/100125_Nature_Com_data... | \n", + "
| 29 | \n", + "1AEL-12_A_iter_0338.pdb | \n", + "0.041811 | \n", + "/global/cfs/cdirs/m4704/100125_Nature_Com_data... | \n", + "
| 30 | \n", + "1AEL-12_A_iter_0259.pdb | \n", + "0.041846 | \n", + "/global/cfs/cdirs/m4704/100125_Nature_Com_data... | \n", + "
| 31 | \n", + "1AEL-12_A_iter_0430.pdb | \n", + "0.041941 | \n", + "/global/cfs/cdirs/m4704/100125_Nature_Com_data... | \n", + "
| 32 | \n", + "1AEL-12_A_iter_0451.pdb | \n", + "0.042039 | \n", + "/global/cfs/cdirs/m4704/100125_Nature_Com_data... | \n", + "
| 33 | \n", + "1AEL-12_A_iter_0450.pdb | \n", + "0.042065 | \n", + "/global/cfs/cdirs/m4704/100125_Nature_Com_data... | \n", + "
| 34 | \n", + "1AEL-12_A_iter_0392.pdb | \n", + "0.042086 | \n", + "/global/cfs/cdirs/m4704/100125_Nature_Com_data... | \n", + "
| 35 | \n", + "1AEL-12_A_iter_0317.pdb | \n", + "0.042175 | \n", + "/global/cfs/cdirs/m4704/100125_Nature_Com_data... | \n", + "
| 36 | \n", + "1AEL-12_A_iter_0378.pdb | \n", + "0.042378 | \n", + "/global/cfs/cdirs/m4704/100125_Nature_Com_data... | \n", + "
| 37 | \n", + "1AEL-12_A_iter_0337.pdb | \n", + "0.042421 | \n", + "/global/cfs/cdirs/m4704/100125_Nature_Com_data... | \n", + "
| 38 | \n", + "1AEL-12_A_iter_0442.pdb | \n", + "0.042559 | \n", + "/global/cfs/cdirs/m4704/100125_Nature_Com_data... | \n", + "
| 39 | \n", + "1AEL-12_A_iter_0228.pdb | \n", + "0.042574 | \n", + "/global/cfs/cdirs/m4704/100125_Nature_Com_data... | \n", + "
| 40 | \n", + "1AEL-12_A_iter_0344.pdb | \n", + "0.042937 | \n", + "/global/cfs/cdirs/m4704/100125_Nature_Com_data... | \n", + "
| 41 | \n", + "1AEL-12_A_iter_0423.pdb | \n", + "0.043003 | \n", + "/global/cfs/cdirs/m4704/100125_Nature_Com_data... | \n", + "
| 42 | \n", + "1AEL-12_A_iter_0300.pdb | \n", + "0.043033 | \n", + "/global/cfs/cdirs/m4704/100125_Nature_Com_data... | \n", + "
| 43 | \n", + "1AEL-12_A_iter_0208.pdb | \n", + "0.043091 | \n", + "/global/cfs/cdirs/m4704/100125_Nature_Com_data... | \n", + "
| 44 | \n", + "1AEL-12_A_iter_0481.pdb | \n", + "0.043124 | \n", + "/global/cfs/cdirs/m4704/100125_Nature_Com_data... | \n", + "
| 45 | \n", + "1AEL-12_A_iter_0443.pdb | \n", + "0.043408 | \n", + "/global/cfs/cdirs/m4704/100125_Nature_Com_data... | \n", + "
| 46 | \n", + "1AEL-12_A_iter_0294.pdb | \n", + "0.043444 | \n", + "/global/cfs/cdirs/m4704/100125_Nature_Com_data... | \n", + "
| 47 | \n", + "1AEL-12_A_iter_0342.pdb | \n", + "0.043514 | \n", + "/global/cfs/cdirs/m4704/100125_Nature_Com_data... | \n", + "
| 48 | \n", + "1AEL-12_A_iter_0429.pdb | \n", + "0.043715 | \n", + "/global/cfs/cdirs/m4704/100125_Nature_Com_data... | \n", + "
| 49 | \n", + "1AEL-12_A_iter_0396.pdb | \n", + "0.043831 | \n", + "/global/cfs/cdirs/m4704/100125_Nature_Com_data... | \n", + "
| \n", + " | protein_id | \n", + "pair_rmsd_avg | \n", + "pair_rmsd_best | \n", + "
|---|---|---|---|
| 0 | \n", + "2K8R-1_A | \n", + "0.496139 | \n", + "0.324884 | \n", + "
| 21 | \n", + "1UR6-4_A | \n", + "0.522801 | \n", + "0.358825 | \n", + "
| 13 | \n", + "1CZ2-8_A | \n", + "0.524122 | \n", + "0.338592 | \n", + "
| 75 | \n", + "1LMZ-9_A | \n", + "0.547398 | \n", + "0.367595 | \n", + "
| 4 | \n", + "1P7M-18_A | \n", + "0.551322 | \n", + "0.375153 | \n", + "
| ... | \n", + "... | \n", + "... | \n", + "... | \n", + "
| 43 | \n", + "1JFK_A | \n", + "5.450941 | \n", + "1.206802 | \n", + "
| 31 | \n", + "1JFJ-3_A | \n", + "6.156148 | \n", + "1.250146 | \n", + "
| 48 | \n", + "1FMF-4_A | \n", + "6.744115 | \n", + "2.751462 | \n", + "
| 27 | \n", + "1MO7-3_A | \n", + "10.636987 | \n", + "5.920478 | \n", + "
| 7 | \n", + "1MO8-14_A | \n", + "12.613535 | \n", + "6.542615 | \n", + "
80 rows × 3 columns
\n", + "| \n", + " | protein_id | \n", + "seq_length_avg | \n", + "seq_length_ref | \n", + "seq_length_best | \n", + "rg_avg | \n", + "rg_ref | \n", + "rg_best | \n", + "re_avg | \n", + "re_ref | \n", + "re_best | \n", + "... | \n", + "helicity_best | \n", + "beta_avg | \n", + "beta_ref | \n", + "beta_best | \n", + "rmsd_avg | \n", + "rmsd_ref | \n", + "rmsd_best | \n", + "loss_avg | \n", + "loss_ref | \n", + "loss_best | \n", + "
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 0 | \n", + "2K8R-1_A | \n", + "133.0 | \n", + "133 | \n", + "133 | \n", + "1.373793 | \n", + "1.377769 | \n", + "1.369565 | \n", + "1.536716 | \n", + "0.862029 | \n", + "1.413769 | \n", + "... | \n", + "0.090226 | \n", + "0.396090 | \n", + "0.300752 | \n", + "0.406015 | \n", + "3.713287 | \n", + "None | \n", + "3.580317 | \n", + "0.015117 | \n", + "None | \n", + "0.013713 | \n", + "
| 1 | \n", + "1XSA-23_A | \n", + "153.0 | \n", + "153 | \n", + "153 | \n", + "1.482322 | \n", + "1.468749 | \n", + "1.487306 | \n", + "4.640028 | \n", + "4.452528 | \n", + "5.152053 | \n", + "... | \n", + "0.058824 | \n", + "0.342092 | \n", + "0.300654 | \n", + "0.359477 | \n", + "3.553883 | \n", + "None | \n", + "3.025320 | \n", + "0.029511 | \n", + "None | \n", + "0.031879 | \n", + "
| 2 | \n", + "1K2H-4_A | \n", + "93.0 | \n", + "93 | \n", + "93 | \n", + "1.403140 | \n", + "1.403545 | \n", + "1.391361 | \n", + "3.809302 | \n", + "3.232320 | \n", + "3.812202 | \n", + "... | \n", + "0.580645 | \n", + "0.045161 | \n", + "0.043011 | \n", + "0.043011 | \n", + "6.449603 | \n", + "None | \n", + "5.955380 | \n", + "0.070389 | \n", + "None | \n", + "0.071829 | \n", + "
| 3 | \n", + "2D9E-12_A | \n", + "121.0 | \n", + "121 | \n", + "121 | \n", + "1.526964 | \n", + "1.518730 | \n", + "1.519589 | \n", + "2.109292 | \n", + "2.177816 | \n", + "1.744408 | \n", + "... | \n", + "0.619835 | \n", + "0.000496 | \n", + "0.000000 | \n", + "0.000000 | \n", + "3.445759 | \n", + "None | \n", + "2.676568 | \n", + "0.019319 | \n", + "None | \n", + "0.019848 | \n", + "
| 4 | \n", + "1P7M-18_A | \n", + "187.0 | \n", + "187 | \n", + "187 | \n", + "1.705712 | \n", + "1.712188 | \n", + "1.702930 | \n", + "1.358845 | \n", + "2.119170 | \n", + "1.425722 | \n", + "... | \n", + "0.556150 | \n", + "0.028235 | \n", + "0.021390 | \n", + "0.021390 | \n", + "2.406974 | \n", + "None | \n", + "2.256148 | \n", + "0.015245 | \n", + "None | \n", + "0.016372 | \n", + "
| ... | \n", + "... | \n", + "... | \n", + "... | \n", + "... | \n", + "... | \n", + "... | \n", + "... | \n", + "... | \n", + "... | \n", + "... | \n", + "... | \n", + "... | \n", + "... | \n", + "... | \n", + "... | \n", + "... | \n", + "... | \n", + "... | \n", + "... | \n", + "... | \n", + "... | \n", + "
| 75 | \n", + "1LMZ-9_A | \n", + "187.0 | \n", + "187 | \n", + "187 | \n", + "1.722596 | \n", + "1.802490 | \n", + "1.719574 | \n", + "1.288643 | \n", + "1.935881 | \n", + "1.264341 | \n", + "... | \n", + "0.545455 | \n", + "0.030802 | \n", + "0.021390 | \n", + "0.032086 | \n", + "2.908975 | \n", + "None | \n", + "2.757299 | \n", + "0.055918 | \n", + "None | \n", + "0.058249 | \n", + "
| 76 | \n", + "2LKD-18_A | \n", + "178.0 | \n", + "178 | \n", + "178 | \n", + "1.589185 | \n", + "1.572804 | \n", + "1.584979 | \n", + "1.729523 | \n", + "1.488222 | \n", + "1.660275 | \n", + "... | \n", + "0.297753 | \n", + "0.228202 | \n", + "0.151685 | \n", + "0.235955 | \n", + "5.022804 | \n", + "None | \n", + "4.568022 | \n", + "0.020751 | \n", + "None | \n", + "0.021842 | \n", + "
| 77 | \n", + "2CJO-5_A | \n", + "97.0 | \n", + "97 | \n", + "97 | \n", + "1.192787 | \n", + "1.178662 | \n", + "1.188997 | \n", + "3.514719 | \n", + "3.504617 | \n", + "3.494160 | \n", + "... | \n", + "0.226804 | \n", + "0.309278 | \n", + "0.288660 | \n", + "0.298969 | \n", + "1.727075 | \n", + "None | \n", + "1.474060 | \n", + "0.024559 | \n", + "None | \n", + "0.021691 | \n", + "
| 78 | \n", + "1MUT-11_A | \n", + "129.0 | \n", + "129 | \n", + "129 | \n", + "1.428944 | \n", + "1.432877 | \n", + "1.429327 | \n", + "3.657335 | \n", + "3.407194 | \n", + "3.606616 | \n", + "... | \n", + "0.186047 | \n", + "0.421550 | \n", + "0.162791 | \n", + "0.434109 | \n", + "4.052078 | \n", + "None | \n", + "3.749681 | \n", + "0.023718 | \n", + "None | \n", + "0.022385 | \n", + "
| 79 | \n", + "1KRX-4_A | \n", + "124.0 | \n", + "124 | \n", + "124 | \n", + "1.302956 | \n", + "1.301472 | \n", + "1.306543 | \n", + "1.092257 | \n", + "0.876820 | \n", + "1.086054 | \n", + "... | \n", + "0.298387 | \n", + "0.184839 | \n", + "0.145161 | \n", + "0.177419 | \n", + "3.303943 | \n", + "None | \n", + "2.999640 | \n", + "0.031986 | \n", + "None | \n", + "0.033197 | \n", + "
80 rows × 22 columns
\n", + "