Should you encounter any unexpected behaviour,
please let us know.

* EXP_4XFX_unrelaxed_rank_001_alphafold2_ptm_model_3_seed_000 *

B-factor analysis for ID 24021912421241012

Overall B-factor prediction

Correlation= -0.611 for 212 C-alpha atoms.

B-factors for all residues

Residue-by-residue B-factor prediction for CA atoms

B-factors are computed based on the first 100 normal modes (B-PREDICT) and are scaled to match the overall B-factors in the submitted model (B-SCALED). A high correlation with the observations is an indicator that the normal modes capture well the overall flexibility features of the model. Comparison of the observed (B-OBS, blue) and the computed (B-SCALED, red) B-factors for all C-alpha atoms is presented below. Differences between B-factors from normal mode analysis and from X-ray crystallographic data may for example indicate regions where the protein flexibility is modified due to external factors such as tight crystall-packing.

ATOM TYP RES RESID B-PREDICT B-SCALED B-OBS	B-SCALED	B-OBS
2 CA MET 1 0.3380 105.8643 58.6200
10 CA VAL 2 0.2702 102.4010 70.4400
17 CA HIS 3 0.1262 95.0475 81.4400
27 CA GLN 4 0.1473 96.1233 85.5600
36 CA ALA 5 0.0889 93.1391 89.3100
41 CA ILE 6 0.0605 91.6891 92.7500
49 CA SER 7 0.1181 94.6308 94.6200
55 CA PRO 8 0.1294 95.2089 94.8800
62 CA ARG 9 0.1291 95.1918 96.2500
73 CA THR 10 0.0806 92.7187 95.9400
80 CA LEU 11 0.0554 91.4269 95.6200
88 CA ASN 12 0.0815 92.7608 95.8800
96 CA ALA 13 0.0759 92.4741 96.6200
101 CA TRP 14 0.0513 91.2213 96.2500
115 CA VAL 15 0.0585 91.5890 94.9400
122 CA LYS 16 0.0834 92.8601 94.8800
131 CA VAL 17 0.0636 91.8497 94.0000
138 CA VAL 18 0.0531 91.3111 92.6900
145 CA GLU 19 0.0869 93.0384 92.1200
154 CA GLU 20 0.1103 94.2327 92.5000
163 CA LYS 21 0.0765 92.5046 88.8800
172 CA ALA 22 0.0638 91.8600 90.8100
177 CA PHE 23 0.0506 91.1859 92.1200
188 CA SER 24 0.0631 91.8232 91.3800
194 CA PRO 25 0.0582 91.5710 90.1200
201 CA GLU 26 0.0637 91.8541 91.3800
210 CA VAL 27 0.0520 91.2544 94.0600
217 CA ILE 28 0.0505 91.1788 94.8100
225 CA PRO 29 0.0669 92.0186 95.0000
232 CA MET 30 0.0587 91.5992 95.8800
240 CA PHE 31 0.0420 90.7446 97.1200
251 CA SER 32 0.0506 91.1835 96.9400
257 CA ALA 33 0.0680 92.0731 96.8800
262 CA LEU 34 0.0526 91.2853 97.0000
270 CA SER 35 0.0404 90.6634 96.9400
276 CA GLU 36 0.0714 92.2467 95.0600
285 CA GLY 37 0.0561 91.4656 93.7500
289 CA ALA 38 0.0342 90.3464 97.1200
294 CA THR 39 0.0250 89.8781 97.9400
301 CA PRO 40 0.0155 89.3879 98.2500
308 CA GLN 41 0.0217 89.7091 97.8100
317 CA ASP 42 0.0262 89.9349 97.6200
325 CA LEU 43 0.0184 89.5368 98.2500
333 CA ASN 44 0.0193 89.5830 97.8100
341 CA THR 45 0.0276 90.0076 96.8100
348 CA MET 46 0.0263 89.9441 97.2500
356 CA LEU 47 0.0249 89.8696 96.6200
364 CA ASN 48 0.0395 90.6168 95.0000
372 CA THR 49 0.0411 90.7006 93.2500
379 CA VAL 50 0.0409 90.6902 92.0000
386 CA GLY 51 0.0726 92.3090 88.3100
390 CA GLY 52 0.0973 93.5701 88.8800
394 CA HIS 53 0.0567 91.4944 91.0000
404 CA GLN 54 0.0710 92.2263 91.8100
413 CA ALA 55 0.0639 91.8609 93.3800
418 CA ALA 56 0.0445 90.8696 94.6900
423 CA MET 57 0.0370 90.4863 95.5000
431 CA GLN 58 0.0501 91.1563 96.5600
440 CA MET 59 0.0399 90.6353 96.6900
448 CA LEU 60 0.0302 90.1423 97.6900
456 CA LYS 61 0.0381 90.5430 97.3100
465 CA GLU 62 0.0471 91.0044 98.1900
474 CA THR 63 0.0365 90.4627 98.2500
481 CA ILE 64 0.0268 89.9661 98.4400
489 CA ASN 65 0.0449 90.8903 98.3800
497 CA GLU 66 0.0586 91.5907 98.5000
506 CA GLU 67 0.0420 90.7452 98.5600
515 CA ALA 68 0.0349 90.3803 98.2500
520 CA ALA 69 0.0710 92.2254 98.0000
525 CA GLU 70 0.0872 93.0542 98.2500
534 CA TRP 71 0.0555 91.4357 97.3100
548 CA ASP 72 0.0636 91.8464 96.8800
556 CA ARG 73 0.1257 95.0222 96.6200
567 CA LEU 74 0.1331 95.3991 96.4400
575 CA HIS 75 0.1026 93.8394 93.3800
585 CA PRO 76 0.1398 95.7397 86.9400
592 CA VAL 77 0.1524 96.3836 81.2500
599 CA HIS 78 0.2094 99.2966 78.2500
609 CA ALA 79 0.4317 110.6541 77.5000
614 CA GLY 80 0.5223 115.2800 82.3100
618 CA PRO 81 0.4600 112.0996 82.9400
625 CA ILE 82 0.2983 103.8384 82.9400
633 CA ALA 83 0.4693 112.5730 84.1900
638 CA PRO 84 0.6542 122.0223 83.4400
645 CA GLY 85 0.5290 115.6233 83.4400
649 CA GLN 86 0.2682 102.3008 85.2500
658 CA MET 87 0.1048 93.9518 88.0600
666 CA ARG 88 0.0914 93.2689 91.8100
677 CA GLU 89 0.0652 91.9298 92.8800
686 CA PRO 90 0.0393 90.6052 95.9400
693 CA ARG 91 0.0378 90.5317 97.0000
704 CA GLY 92 0.0312 90.1907 97.7500
708 CA SER 93 0.0318 90.2230 97.6900
714 CA ASP 94 0.0253 89.8913 97.9400
722 CA ILE 95 0.0161 89.4214 98.3100
730 CA ALA 96 0.0148 89.3544 98.1900
735 CA GLY 97 0.0204 89.6429 97.1200
739 CA THR 98 0.0454 90.9194 96.8800
746 CA THR 99 0.0557 91.4439 97.0000
753 CA SER 100 0.0417 90.7305 97.3100
759 CA THR 101 0.0597 91.6481 96.8100
766 CA LEU 102 0.0482 91.0628 96.1200
774 CA GLN 103 0.0840 92.8902 95.6200
783 CA GLU 104 0.0558 91.4506 95.9400
792 CA GLN 105 0.0330 90.2831 97.3100
801 CA ILE 106 0.0526 91.2859 96.4400
809 CA GLY 107 0.0674 92.0406 95.5600
813 CA TRP 108 0.0535 91.3337 95.8100
827 CA MET 109 0.0598 91.6548 95.8100
835 CA THR 110 0.1023 93.8242 94.1900
842 CA HIS 111 0.1216 94.8109 91.4400
852 CA ASN 112 0.2008 98.8573 91.0000
860 CA PRO 113 0.2091 99.2796 92.5000
867 CA PRO 114 0.1199 94.7233 95.0600
874 CA ILE 115 0.0607 91.6975 95.9400
882 CA PRO 116 0.0517 91.2373 96.6200
889 CA VAL 117 0.0255 89.8987 98.0600
896 CA GLY 118 0.0246 89.8540 97.7500
900 CA GLU 119 0.0376 90.5169 98.0600
909 CA ILE 120 0.0323 90.2469 98.4400
917 CA TYR 121 0.0188 89.5574 98.7500
929 CA LYS 122 0.0257 89.9108 98.5000
938 CA ARG 123 0.0402 90.6531 98.3800
949 CA TRP 124 0.0297 90.1146 98.6900
963 CA ILE 125 0.0241 89.8299 98.5000
971 CA ILE 126 0.0372 90.4974 97.8100
979 CA LEU 127 0.0421 90.7517 97.2500
987 CA GLY 128 0.0349 90.3797 97.3800
991 CA LEU 129 0.0389 90.5853 96.3800
999 CA ASN 130 0.0493 91.1150 94.5600
1007 CA LYS 131 0.0500 91.1507 94.0000
1016 CA ILE 132 0.0462 90.9571 94.7500
1024 CA VAL 133 0.0513 91.2205 93.4400
1031 CA ARG 134 0.0624 91.7870 90.0000
1042 CA MET 135 0.0604 91.6865 90.0600
1050 CA TYR 136 0.0637 91.8514 88.3800
1062 CA SER 137 0.0647 91.9047 87.0600
1068 CA PRO 138 0.1108 94.2585 84.6200
1075 CA THR 139 0.0801 92.6906 90.0000
1082 CA SER 140 0.0799 92.6828 91.1900
1088 CA ILE 141 0.0486 91.0833 93.3800
1096 CA LEU 142 0.0735 92.3545 93.5000
1104 CA ASP 143 0.0840 92.8896 95.3100
1112 CA ILE 144 0.0456 90.9293 97.0000
1120 CA ARG 145 0.0586 91.5926 98.0600
1131 CA GLN 146 0.0639 91.8625 98.3100
1140 CA GLY 147 0.1461 96.0602 97.7500
1144 CA PRO 148 0.2221 99.9450 96.8100
1151 CA LYS 149 0.2558 101.6679 95.6900
1160 CA GLU 150 0.1566 96.5997 97.5000
1169 CA PRO 151 0.1406 95.7823 97.4400
1176 CA PHE 152 0.0805 92.7130 97.6900
1187 CA ARG 153 0.1047 93.9458 96.6900
1198 CA ASP 154 0.0993 93.6693 97.4400
1206 CA TYR 155 0.0490 91.1028 97.6200
1218 CA VAL 156 0.0378 90.5295 97.0600
1225 CA ASP 157 0.0585 91.5888 95.5600
1233 CA ARG 158 0.0460 90.9478 95.5000
1244 CA PHE 159 0.0232 89.7843 96.5000
1255 CA TYR 160 0.0380 90.5399 94.6900
1267 CA LYS 161 0.0443 90.8618 91.2500
1276 CA THR 162 0.0392 90.6026 92.6900
1283 CA LEU 163 0.0413 90.7059 93.3100
1291 CA ARG 164 0.0569 91.5050 89.6200
1302 CA ALA 165 0.0555 91.4344 89.5000
1307 CA GLU 166 0.0647 91.9039 88.5000
1316 CA GLN 167 0.0845 92.9141 83.8100
1325 CA ALA 168 0.1263 95.0518 87.8800
1330 CA SER 169 0.2395 100.8325 91.3800
1336 CA GLN 170 0.2358 100.6432 91.5000
1345 CA GLU 171 0.2527 101.5087 94.3800
1354 CA VAL 172 0.1598 96.7618 94.4400
1361 CA LYS 173 0.1026 93.8407 93.7500
1370 CA ASN 174 0.1406 95.7841 93.8100
1378 CA TRP 175 0.1223 94.8448 94.8100
1392 CA MET 176 0.0655 91.9457 95.5600
1400 CA THR 177 0.0631 91.8217 94.6900
1407 CA GLU 178 0.0926 93.3290 92.0600
1416 CA THR 179 0.0855 92.9658 94.1900
1423 CA LEU 180 0.0563 91.4750 96.5000
1431 CA LEU 181 0.0304 90.1505 96.6200
1439 CA VAL 182 0.0445 90.8734 95.9400
1446 CA GLN 183 0.0659 91.9629 95.6900
1455 CA ASN 184 0.0501 91.1592 97.8800
1463 CA ALA 185 0.0497 91.1376 97.8800
1468 CA ASN 186 0.0965 93.5272 97.9400
1476 CA PRO 187 0.1557 96.5544 97.6200
1483 CA ASP 188 0.1660 97.0767 97.0600
1491 CA CYS 189 0.0977 93.5882 97.6900
1497 CA LYS 190 0.0898 93.1857 96.6900
1506 CA THR 191 0.1554 96.5384 96.5000
1513 CA ILE 192 0.1496 96.2395 96.4400
1521 CA LEU 193 0.1092 94.1767 96.0600
1529 CA LYS 194 0.1595 96.7488 93.3100
1538 CA ALA 195 0.2320 100.4487 94.9400
1543 CA LEU 196 0.2169 99.6790 93.6200
1551 CA GLY 197 0.3406 106.0008 87.7500
1555 CA PRO 198 0.4556 111.8761 86.6200
1562 CA GLY 199 0.3001 103.9291 85.1200
1566 CA ALA 200 0.2107 99.3610 91.7500
1571 CA THR 201 0.2173 99.7017 94.1200
1578 CA LEU 202 0.1372 95.6090 93.9400
1586 CA GLU 203 0.2229 99.9871 94.6900
1595 CA GLU 204 0.2062 99.1317 95.7500
1604 CA MET 205 0.1153 94.4883 96.4400
1612 CA MET 206 0.1327 95.3782 95.8800
1620 CA THR 207 0.2246 100.0743 96.3800
1627 CA ALA 208 0.1863 98.1156 95.8100
1632 CA CYS 209 0.1393 95.7147 96.6200
1638 CA GLN 210 0.2288 100.2877 94.0000
1647 CA GLY 211 0.3180 104.8423 87.0600
1651 CA VAL 212 0.2139 99.5262 88.2500

If you find results from this site helpful for your research, please cite one of our papers:

K. Suhre & Y.H. Sanejouand, ElNemo: a normal mode web-server for protein movement analysis and the generation of templates for molecular replacement. Nucleic Acids Research, 32, W610-W614, 2004.
K. Suhre & Y.H. Sanejouand, On the potential of normal mode analysis for solving difficult molecular replacement problems. Acta Cryst. D vol.60, p796-799, 2004 © International Union of Crystallography.

elNémo is maintained by Yves-Henri Sanejouand.
It was developed by Karsten Suhre.
Between 2003 and 2014, it was hosted by IGS (Marseille).
Last modification: April 25th, 2023.

Should you encounter any unexpected behaviour, please let us know.