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

* EXP_2VIU_unrelaxed_rank_001_alphafold2_ptm_model_2_seed_000 *

B-factor analysis for ID 24021912441443086

Overall B-factor prediction

Correlation= -0.431 for 175 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 6.4089 84.5181 54.8800
6 CA LEU 2 4.9465 78.7060 61.4700
14 CA PHE 3 4.6620 77.5751 60.5000
25 CA GLY 4 4.5018 76.9386 62.7500
29 CA ALA 5 3.3910 72.5237 66.8800
34 CA ILE 6 2.6513 69.5839 59.2500
42 CA ALA 7 3.2730 72.0547 62.0300
47 CA GLY 8 3.0990 71.3633 66.5600
51 CA PHE 9 2.0190 67.0709 64.3800
62 CA ILE 10 2.3010 68.1917 55.7500
70 CA GLU 11 3.3586 72.3951 61.6200
79 CA ASN 12 3.2070 71.7926 66.8100
87 CA GLY 13 2.0878 67.3444 64.0600
91 CA TRP 14 2.5489 69.1770 68.1900
105 CA GLU 15 3.9951 74.9249 69.6900
114 CA GLY 16 3.3713 72.4456 69.3800
118 CA MET 17 2.8682 70.4461 77.3800
126 CA ILE 18 4.5548 77.1492 66.8100
134 CA ASP 19 5.3119 80.1583 67.2500
142 CA GLY 20 4.5149 76.9904 70.0000
146 CA TRP 21 5.1326 79.4455 72.5600
160 CA TYR 22 7.2817 87.9871 61.7500
172 CA GLY 23 7.3089 88.0949 54.0900
176 CA PHE 24 8.9282 94.5309 51.9100
187 CA ARG 25 11.8657 106.2057 41.3800
198 CA HIS 26 12.7226 109.6111 41.8100
208 CA GLN 27 16.9734 126.5057 39.6600
217 CA ASN 28 18.5984 132.9642 42.5300
225 CA SER 29 18.6429 133.1409 39.8100
231 CA GLU 30 18.9626 134.4114 46.9100
240 CA GLY 31 16.8428 125.9866 41.1600
244 CA THR 32 17.0851 126.9494 41.5900
251 CA GLY 33 13.2781 111.8191 45.6600
255 CA GLN 34 12.7136 109.5756 48.7800
264 CA ALA 35 10.7079 101.6040 53.5300
269 CA ALA 36 8.0733 91.1330 59.5600
274 CA ASP 37 9.7346 97.7356 66.8100
282 CA LEU 38 9.1833 95.5446 70.6900
290 CA LYS 39 8.8861 94.3635 73.8100
299 CA SER 40 6.5589 85.1144 72.5000
305 CA THR 41 5.1990 79.7096 74.5000
312 CA GLN 42 5.5530 81.1166 75.5600
321 CA ALA 43 4.8305 78.2450 81.4400
326 CA ALA 44 3.0181 71.0417 78.8100
331 CA ILE 45 2.8968 70.5595 79.2500
339 CA ASP 46 3.3062 72.1869 84.5000
347 CA GLN 47 2.2291 67.9060 87.5600
356 CA ILE 48 1.4199 64.6900 84.6900
364 CA ASN 49 1.9272 66.7059 85.8100
372 CA GLY 50 1.9874 66.9452 92.9400
376 CA LYS 51 1.1891 63.7724 91.8800
385 CA LEU 52 1.2070 63.8436 90.2500
393 CA ASN 53 1.7176 65.8729 92.7500
401 CA ARG 54 1.5926 65.3764 93.8100
412 CA VAL 55 1.3668 64.4788 94.3100
419 CA ILE 56 1.7495 65.9996 91.1900
427 CA GLU 57 2.0698 67.2727 95.3100
436 CA LYS 58 2.0926 67.3635 95.5000
445 CA THR 59 2.2602 68.0296 92.3800
452 CA ASN 60 2.6245 69.4773 94.1900
460 CA GLU 61 2.9421 70.7397 96.1200
469 CA LYS 62 3.2537 71.9780 94.3100
478 CA PHE 63 3.5350 73.0959 95.9400
489 CA HIS 64 3.8737 74.4421 95.1200
499 CA GLN 65 4.3601 76.3753 96.1200
508 CA ILE 66 4.7912 78.0889 94.0600
516 CA GLU 67 5.0255 79.0199 93.1200
525 CA LYS 68 5.4385 80.6612 95.8800
534 CA GLU 69 6.1170 83.3581 95.8800
543 CA PHE 70 6.4675 84.7510 96.1900
554 CA SER 71 6.5888 85.2329 95.7500
560 CA GLU 72 7.2476 87.8515 97.0600
569 CA VAL 73 7.9054 90.4660 97.3800
576 CA GLU 74 7.9854 90.7838 94.3800
585 CA GLY 75 8.0507 91.0434 97.5600
589 CA ARG 76 8.8360 94.1644 97.5000
600 CA ILE 77 9.2320 95.7382 97.0000
608 CA GLN 78 8.9463 94.6027 97.1900
617 CA ASP 79 9.0820 95.1422 97.9400
625 CA LEU 80 9.8651 98.2542 97.2500
633 CA GLU 81 9.9122 98.4414 95.5600
642 CA LYS 82 9.4370 96.5529 96.8800
651 CA TYR 83 9.8385 98.1488 97.2500
663 CA VAL 84 10.5104 100.8191 96.2500
670 CA GLU 85 10.1971 99.5739 94.1900
679 CA ASP 86 9.7307 97.7204 95.3800
687 CA THR 87 10.3951 100.3610 94.9400
694 CA LYS 88 10.7678 101.8422 95.4400
703 CA ILE 89 9.9136 98.4471 93.6900
711 CA ASP 90 9.8236 98.0895 94.4400
719 CA LEU 91 10.6400 101.3340 94.6900
727 CA TRP 92 10.4011 100.3847 94.7500
741 CA SER 93 9.3847 96.3450 94.1200
747 CA TYR 94 9.6997 97.5972 94.5000
759 CA ASN 95 10.3605 100.2232 94.4400
767 CA ALA 96 9.4431 96.5772 94.6200
772 CA GLU 97 8.5982 93.2191 93.1900
781 CA LEU 98 9.2628 95.8606 95.5000
789 CA LEU 99 9.4267 96.5120 93.9400
797 CA VAL 100 8.0676 91.1104 93.1900
804 CA ALA 101 7.6497 89.4496 90.0600
809 CA LEU 102 8.4417 92.5972 89.7500
817 CA GLU 103 7.8894 90.4024 89.5000
826 CA ASN 104 6.3576 84.3143 88.2500
834 CA GLN 105 6.4602 84.7221 88.6900
843 CA HIS 106 7.1366 87.4104 90.3800
853 CA THR 107 5.8456 82.2795 85.8100
860 CA ILE 108 4.6957 77.7091 86.7500
868 CA ASP 109 5.4644 80.7641 85.6900
876 CA LEU 110 5.6020 81.3112 85.6200
884 CA THR 111 3.9266 74.6525 85.8800
891 CA ASP 112 3.4928 72.9284 86.5600
899 CA SER 113 4.5267 77.0373 88.9400
905 CA GLU 114 3.8151 74.2091 90.6900
914 CA MET 115 2.2511 67.9933 87.9400
922 CA ASN 116 2.6879 69.7293 89.3800
930 CA LYS 117 3.3953 72.5408 91.3800
939 CA LEU 118 2.0458 67.1774 90.8100
947 CA PHE 119 1.2903 64.1749 92.3100
958 CA GLU 120 2.3543 68.4035 92.2500
967 CA LYS 121 2.4571 68.8119 93.1900
976 CA THR 122 1.1842 63.7530 93.7500
983 CA ARG 123 1.4444 64.7871 94.1200
994 CA ARG 124 2.6390 69.5352 94.1200
1005 CA GLN 125 2.2191 67.8661 94.5600
1014 CA LEU 126 1.6333 65.5379 94.1900
1022 CA ARG 127 2.6008 69.3832 93.3800
1033 CA GLU 128 3.5825 73.2847 92.5600
1042 CA ASN 129 2.9406 70.7337 94.8100
1050 CA ALA 130 2.4264 68.6899 94.4400
1055 CA GLU 131 3.2270 71.8719 92.9400
1064 CA GLU 132 2.8528 70.3847 91.8800
1073 CA MET 133 4.2511 75.9422 90.8100
1081 CA GLY 134 4.0943 75.3188 84.6200
1085 CA ASN 135 3.5559 73.1793 83.1900
1093 CA GLY 136 1.7381 65.9546 84.5000
1097 CA CYS 137 2.0525 67.2039 90.6900
1103 CA PHE 138 1.8949 66.5777 93.3800
1114 CA LYS 139 3.4684 72.8313 92.8100
1123 CA ILE 140 3.3123 72.2111 93.8800
1131 CA TYR 141 5.0620 79.1648 94.8100
1143 CA HIS 142 5.7218 81.7874 94.4400
1153 CA LYS 143 7.5990 89.2482 93.5000
1162 CA CYS 144 6.2630 83.9381 93.3800
1168 CA ASP 145 8.9439 94.5931 93.2500
1176 CA ASN 146 9.1262 95.3177 95.6200
1184 CA ALA 147 8.7534 93.8360 94.6200
1189 CA CYS 148 5.6980 81.6925 94.2500
1195 CA ILE 149 4.5696 77.2082 93.8800
1203 CA GLU 150 5.8950 82.4758 95.3800
1212 CA SER 151 5.0777 79.2273 95.2500
1218 CA ILE 152 2.7450 69.9562 94.4400
1226 CA ARG 153 3.4459 72.7419 92.1900
1237 CA ASN 154 5.3897 80.4675 94.3800
1245 CA GLY 155 4.2453 75.9190 93.0000
1249 CA THR 156 5.7219 81.7878 95.1200
1256 CA TYR 157 3.9363 74.6911 95.7500
1268 CA ASP 158 4.9255 78.6223 94.3800
1276 CA HIS 159 3.8340 74.2844 94.1900
1286 CA ASP 160 5.5893 81.2606 94.8800
1294 CA VAL 161 6.2683 83.9591 94.8800
1301 CA TYR 162 5.0442 79.0944 94.2500
1313 CA ARG 163 5.0193 78.9955 94.0600
1324 CA ASP 164 7.2731 87.9528 93.8100
1332 CA GLU 165 7.4886 88.8091 93.8100
1341 CA ALA 166 5.5605 81.1461 93.0600
1346 CA LEU 167 7.0099 86.9066 92.1900
1354 CA ASN 168 9.6868 97.5457 92.1200
1362 CA ASN 169 9.2970 95.9966 90.9400
1370 CA ARG 170 8.4665 92.6957 85.5600
1381 CA PHE 171 11.8915 106.3081 80.6200
1392 CA GLN 172 14.2758 115.7844 74.3800
1401 CA ILE 173 13.4648 112.5609 62.5300
1409 CA LYS 174 14.9399 118.4236 59.2200
1418 CA GLY 175 19.8105 137.7813 45.3800

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.