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

* EXP_3LZG_unrelaxed_rank_001_alphafold2_ptm_model_4_seed_000 *

B-factor analysis for ID 24021912312226987

Overall B-factor prediction

Correlation= -0.234 for 172 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 GLY 1 7.1100 92.7799 79.8100
6 CA LEU 2 6.7324 92.3842 81.2500
14 CA PHE 3 9.2712 95.0442 85.6900
25 CA GLY 4 7.5481 93.2389 88.0000
29 CA ALA 5 4.5781 90.1271 88.1900
34 CA ILE 6 6.2383 91.8666 85.7500
42 CA ALA 7 8.5650 94.3043 90.5600
47 CA GLY 8 6.1353 91.7586 91.3800
51 CA PHE 9 4.4921 90.0371 90.3100
62 CA ILE 10 7.3931 93.0765 88.9400
70 CA GLU 11 9.0284 94.7898 91.2500
79 CA GLY 12 6.7627 92.4160 90.1200
83 CA GLY 13 4.2094 89.7409 91.3800
87 CA TRP 14 2.3892 87.8338 88.7500
101 CA THR 15 3.6149 89.1179 90.8100
108 CA GLY 16 4.5654 90.1139 91.8800
112 CA MET 17 2.9503 88.4217 92.1200
120 CA VAL 18 2.4197 87.8657 90.6200
127 CA ASP 19 4.4792 90.0235 89.8100
135 CA GLY 20 5.4024 90.9908 90.6900
139 CA TRP 21 4.0274 89.5502 91.8100
153 CA TYR 22 4.5506 90.0983 90.3100
165 CA GLY 23 7.2359 92.9117 86.8800
169 CA TYR 24 10.3141 96.1368 80.9400
181 CA HIS 25 10.2313 96.0501 82.3100
191 CA HIS 26 14.0219 100.0216 81.0600
201 CA GLN 27 16.5645 102.6855 86.1200
210 CA ASN 28 21.4857 107.8416 86.1900
218 CA GLU 29 25.5375 112.0867 86.0000
227 CA GLN 30 22.1980 108.5878 81.1900
236 CA GLY 31 17.2348 103.3878 83.1200
240 CA SER 32 13.0151 98.9668 85.1900
246 CA GLY 33 10.0664 95.8773 84.0600
250 CA TYR 34 7.7389 93.4388 84.4400
262 CA ALA 35 8.9039 94.6594 85.5600
267 CA ALA 36 6.5298 92.1719 85.9400
272 CA ASP 37 6.3577 91.9917 87.6200
280 CA LEU 38 5.0265 90.5969 86.3100
288 CA LYS 39 5.5386 91.1335 88.5000
297 CA SER 40 5.2824 90.8650 88.5600
303 CA THR 41 3.4183 88.9120 87.0000
310 CA GLN 42 3.0670 88.5440 89.5600
319 CA ASN 43 4.1236 89.6509 91.7500
327 CA ALA 44 3.2146 88.6986 88.9400
332 CA ILE 45 1.8587 87.2780 89.7500
340 CA ASP 46 2.9622 88.4341 91.5000
348 CA GLU 47 3.7839 89.2951 93.4400
357 CA ILE 48 2.4038 87.8491 89.5600
365 CA THR 49 2.2090 87.6450 91.0600
372 CA ASN 50 4.0945 89.6205 93.3800
380 CA LYS 51 4.0434 89.5669 94.1900
389 CA VAL 52 2.7420 88.2034 91.3800
396 CA ASN 53 3.9659 89.4858 92.8100
404 CA SER 54 5.6150 91.2135 95.3100
410 CA VAL 55 4.6194 90.1705 93.9400
417 CA ILE 56 4.2393 89.7722 93.3800
425 CA GLU 57 6.4017 92.0378 94.8800
434 CA LYS 58 7.0601 92.7275 94.6900
443 CA MET 59 5.6640 91.2649 94.0000
451 CA ASN 60 6.6188 92.2652 95.3100
459 CA THR 61 8.7646 94.5134 94.7500
466 CA GLN 62 8.0156 93.7287 94.2500
475 CA PHE 63 7.1498 92.8215 95.0600
486 CA THR 64 9.2403 95.0119 95.3800
493 CA ALA 65 10.3048 96.1271 95.8800
498 CA VAL 66 8.8799 94.6342 94.6900
505 CA GLY 67 9.2207 94.9913 95.2500
509 CA LYS 68 11.1148 96.9757 96.1200
518 CA GLU 69 10.4414 96.2703 95.4400
527 CA PHE 70 9.3480 95.1246 96.1200
538 CA ASN 71 10.7726 96.6172 95.9400
546 CA HIS 72 11.5579 97.4400 96.6200
556 CA LEU 73 10.1447 95.9594 96.6200
564 CA GLU 74 10.0918 95.9039 95.1900
573 CA LYS 75 11.5944 97.4782 97.0000
582 CA ARG 76 11.1355 96.9975 96.5000
593 CA ILE 77 9.9162 95.7200 97.1200
601 CA GLU 78 10.8130 96.6596 96.6900
610 CA ASN 79 11.4995 97.3788 96.7500
618 CA LEU 80 10.3114 96.1340 96.5600
626 CA ASN 81 9.9124 95.7160 96.5600
634 CA LYS 82 10.8043 96.6505 96.3800
643 CA LYS 83 10.4255 96.2536 96.1900
652 CA VAL 84 9.3888 95.1674 95.6900
659 CA ASP 85 9.6317 95.4219 95.8100
667 CA ASP 86 9.9066 95.7099 94.5000
675 CA GLY 87 9.0449 94.8071 95.3100
679 CA PHE 88 8.5202 94.2573 95.8800
690 CA LEU 89 8.7016 94.4474 95.0000
698 CA ASP 90 8.2915 94.0178 95.9400
706 CA ILE 91 7.5292 93.2190 95.0600
714 CA TRP 92 7.4903 93.1783 95.3800
728 CA THR 93 7.4475 93.1335 94.4400
735 CA TYR 94 6.6745 92.3236 95.1200
747 CA ASN 95 6.3948 92.0305 95.4400
755 CA ALA 96 6.5629 92.2067 94.9400
760 CA GLU 97 5.8891 91.5008 91.7500
769 CA LEU 98 5.3441 90.9297 95.3100
777 CA LEU 99 5.6590 91.2596 94.6900
785 CA VAL 100 5.3508 90.9367 92.0600
792 CA LEU 101 4.3762 89.9156 91.1900
800 CA LEU 102 4.6054 90.1558 92.1900
808 CA GLU 103 5.1005 90.6745 92.3800
817 CA ASN 104 4.2630 89.7970 91.6200
825 CA GLU 105 3.6055 89.1082 90.0000
834 CA ARG 106 3.5910 89.0929 90.3100
845 CA THR 107 3.3814 88.8733 90.8100
852 CA LEU 108 2.7458 88.2074 90.0000
860 CA ASP 109 2.4755 87.9242 90.0000
868 CA TYR 110 2.4764 87.9252 91.7500
880 CA HIS 111 2.0498 87.4781 90.4400
890 CA ASP 112 1.7166 87.1291 90.9400
898 CA SER 113 1.7091 87.1212 93.4400
904 CA ASN 114 1.5696 86.9751 92.5600
912 CA VAL 115 1.1621 86.5481 92.0000
919 CA LYS 116 1.1868 86.5741 93.3100
928 CA ASN 117 1.4352 86.8342 93.1900
936 CA LEU 118 1.1005 86.4836 92.0600
944 CA TYR 119 0.9829 86.3604 93.7500
956 CA GLU 120 1.5187 86.9217 94.0000
965 CA LYS 121 1.7892 87.2051 93.5600
974 CA VAL 122 1.4672 86.8678 94.5000
981 CA ARG 123 1.8382 87.2565 95.0000
992 CA SER 124 2.8683 88.3358 94.6900
998 CA GLN 125 3.0224 88.4972 94.8100
1007 CA LEU 126 2.8988 88.3678 95.3100
1015 CA LYS 127 3.7493 89.2588 94.1900
1024 CA ASN 128 4.8971 90.4614 94.3100
1032 CA ASN 129 4.5611 90.1094 96.0000
1040 CA ALA 130 3.7130 89.2207 95.5600
1045 CA LYS 131 4.1948 89.7256 94.5600
1054 CA GLU 132 3.5612 89.0618 94.3800
1063 CA ILE 133 4.9858 90.5543 94.6900
1071 CA GLY 134 4.5210 90.0673 91.0600
1075 CA ASN 135 3.9767 89.4971 89.7500
1083 CA GLY 136 2.1645 87.5984 88.6200
1087 CA CYS 137 2.8576 88.3246 92.9400
1093 CA PHE 138 2.8260 88.2915 94.5000
1104 CA GLU 139 4.2891 89.8244 94.7500
1113 CA PHE 140 4.3960 89.9364 95.6900
1124 CA TYR 141 5.9653 91.5805 96.1200
1136 CA HIS 142 6.4328 92.0703 95.0600
1146 CA LYS 143 7.2379 92.9138 93.7500
1155 CA CYS 144 5.8724 91.4833 93.4400
1161 CA ASP 145 7.2974 92.9762 94.4400
1169 CA ASN 146 7.1410 92.8123 95.8100
1177 CA THR 147 7.0874 92.7562 94.7500
1184 CA CYS 148 5.3128 90.8969 93.8800
1190 CA MET 149 4.2043 89.7355 95.1900
1198 CA GLU 150 4.8160 90.3764 95.6200
1207 CA SER 151 4.5947 90.1445 95.6200
1213 CA VAL 152 2.8884 88.3568 94.5000
1220 CA LYS 153 2.8966 88.3654 93.3100
1229 CA ASN 154 4.0827 89.6081 94.1200
1237 CA GLY 155 3.6276 89.1313 92.8100
1241 CA THR 156 5.4076 90.9962 95.0000
1248 CA TYR 157 4.5460 90.0935 95.1900
1260 CA ASP 158 6.3811 92.0162 94.6900
1268 CA TYR 159 5.8573 91.4674 94.4400
1280 CA PRO 160 8.3856 94.1164 94.0000
1287 CA LYS 161 8.4149 94.1470 94.1900
1296 CA TYR 162 6.8449 92.5021 94.1900
1308 CA SER 163 7.4936 93.1818 93.5000
1314 CA GLU 164 9.7258 95.5205 93.1200
1323 CA GLU 165 8.8932 94.6481 93.4400
1332 CA ALA 166 7.1076 92.7773 94.1200
1337 CA LYS 167 8.9351 94.6920 93.7500
1346 CA LEU 168 10.8476 96.6958 93.0000
1354 CA ASN 169 9.5477 95.3339 92.3800
1362 CA ARG 170 8.9979 94.7579 89.2500
1373 CA GLU 171 12.0149 97.9188 85.1900
1382 CA GLU 172 13.2437 99.2062 71.8100

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.