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

* 4XFX_unrelaxed_rank_001_alphafold2_ptm_model_4_seed_000 *

B-factor analysis for ID 240220091228160354

Overall B-factor prediction

Correlation= -0.776 for 216 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 PRO 1 2.4303 188.4561 36.8800
9 CA ILE 2 1.2606 139.9670 45.0600
17 CA VAL 3 0.7006 116.7501 46.0900
24 CA GLN 4 0.4000 104.2884 55.7500
33 CA MET 5 0.2143 96.5890 57.6200
41 CA VAL 6 0.2167 96.6908 68.8100
48 CA HIS 7 0.1166 92.5419 78.7500
58 CA GLN 8 0.1367 93.3753 82.9400
67 CA ALA 9 0.0874 91.3292 88.6200
72 CA ILE 10 0.0584 90.1286 93.1900
80 CA SER 11 0.1146 92.4566 94.6900
86 CA PRO 12 0.1256 92.9144 95.1900
93 CA ARG 13 0.1265 92.9532 96.2500
104 CA THR 14 0.0793 90.9936 96.3100
111 CA LEU 15 0.0544 89.9620 96.3800
119 CA ASN 16 0.0791 90.9844 96.0600
127 CA ALA 17 0.0757 90.8460 97.0000
132 CA TRP 18 0.0515 89.8431 96.8100
146 CA VAL 19 0.0566 90.0552 95.5600
153 CA LYS 20 0.0831 91.1529 95.5000
162 CA VAL 21 0.0640 90.3596 95.1200
169 CA VAL 22 0.0528 89.8941 94.4400
176 CA GLU 23 0.0836 91.1719 93.1900
185 CA GLU 24 0.1082 92.1943 93.6200
194 CA LYS 25 0.0776 90.9221 90.5600
203 CA ALA 26 0.0636 90.3425 92.0600
208 CA PHE 27 0.0488 89.7299 93.4400
219 CA SER 28 0.0607 90.2239 92.0600
225 CA PRO 29 0.0561 90.0318 90.8800
232 CA GLU 30 0.0622 90.2862 92.1900
241 CA VAL 31 0.0511 89.8267 94.6200
248 CA ILE 32 0.0500 89.7801 95.4400
256 CA PRO 33 0.0694 90.5826 95.3800
263 CA MET 34 0.0604 90.2099 96.5000
271 CA PHE 35 0.0424 89.4663 97.4400
282 CA SER 36 0.0506 89.8049 97.1900
288 CA ALA 37 0.0675 90.5036 97.1200
293 CA LEU 38 0.0528 89.8973 97.0600
301 CA SER 39 0.0403 89.3785 96.8800
307 CA GLU 40 0.0724 90.7069 94.4400
316 CA GLY 41 0.0542 89.9545 92.5000
320 CA ALA 42 0.0337 89.1048 96.2500
325 CA THR 43 0.0244 88.7167 97.4400
332 CA PRO 44 0.0159 88.3658 98.1900
339 CA GLN 45 0.0217 88.6047 97.5000
348 CA ASP 46 0.0263 88.7988 97.5600
356 CA LEU 47 0.0192 88.5023 98.3100
364 CA ASN 48 0.0200 88.5356 97.8800
372 CA THR 49 0.0278 88.8599 96.9400
379 CA MET 50 0.0268 88.8163 97.6200
387 CA LEU 51 0.0254 88.7603 96.8800
395 CA ASN 52 0.0382 89.2897 95.1200
403 CA THR 53 0.0416 89.4332 94.6900
410 CA VAL 54 0.0414 89.4240 91.9400
417 CA GLY 55 0.0674 90.5026 87.5000
421 CA GLY 56 0.0902 91.4477 89.0000
425 CA HIS 57 0.0578 90.1028 89.5000
435 CA GLN 58 0.0699 90.6049 92.0000
444 CA ALA 59 0.0639 90.3577 93.7500
449 CA ALA 60 0.0445 89.5534 94.8800
454 CA MET 61 0.0367 89.2302 95.6200
462 CA GLN 62 0.0500 89.7814 96.3800
471 CA MET 63 0.0400 89.3652 96.5000
479 CA LEU 64 0.0308 88.9851 97.6900
487 CA LYS 65 0.0379 89.2801 97.3100
496 CA GLU 66 0.0466 89.6398 98.0600
505 CA THR 67 0.0368 89.2308 98.1900
512 CA ILE 68 0.0275 88.8466 98.3800
520 CA ASN 69 0.0452 89.5792 98.3100
528 CA GLU 70 0.0583 90.1244 98.4400
537 CA GLU 71 0.0429 89.4867 98.5600
546 CA ALA 72 0.0361 89.2042 98.0600
551 CA ALA 73 0.0695 90.5896 97.7500
556 CA GLU 74 0.0852 91.2375 97.9400
565 CA TRP 75 0.0565 90.0474 96.9400
579 CA ASP 76 0.0640 90.3597 96.3800
587 CA ARG 77 0.1261 92.9348 95.9400
598 CA LEU 78 0.1320 93.1783 95.2500
606 CA HIS 79 0.1026 91.9602 91.9400
616 CA PRO 80 0.1425 93.6162 83.6200
623 CA VAL 81 0.1635 94.4833 80.7500
630 CA HIS 82 0.2041 96.1697 77.1200
640 CA ALA 83 0.4465 106.2163 75.6200
645 CA GLY 84 0.5520 110.5901 81.3800
649 CA PRO 85 0.4521 106.4485 80.4400
656 CA ILE 86 0.2917 99.8001 80.0600
664 CA ALA 87 0.4494 106.3378 80.3800
669 CA PRO 88 0.6219 113.4864 79.1200
676 CA GLY 89 0.4624 106.8767 78.5000
680 CA GLN 90 0.2325 97.3452 82.1200
689 CA MET 91 0.0965 91.7065 84.4400
697 CA ARG 92 0.0865 91.2924 89.1200
708 CA GLU 93 0.0634 90.3332 91.6900
717 CA PRO 94 0.0379 89.2785 95.4400
724 CA ARG 95 0.0376 89.2647 96.1900
735 CA GLY 96 0.0315 89.0111 97.5600
739 CA SER 97 0.0318 89.0238 97.3100
745 CA ASP 98 0.0248 88.7368 97.5000
753 CA ILE 99 0.0166 88.3949 98.1900
761 CA ALA 100 0.0159 88.3659 98.0000
766 CA GLY 101 0.0199 88.5326 96.8800
770 CA THR 102 0.0429 89.4858 95.9400
777 CA THR 103 0.0534 89.9212 96.1200
784 CA SER 104 0.0388 89.3174 96.3100
790 CA THR 105 0.0559 90.0244 95.8100
797 CA LEU 106 0.0450 89.5713 94.8800
805 CA GLN 107 0.0709 90.6464 94.0600
814 CA GLU 108 0.0507 89.8092 94.6900
823 CA GLN 109 0.0300 88.9512 96.1200
832 CA ILE 110 0.0475 89.6769 94.7500
840 CA GLY 111 0.0615 90.2557 93.8800
844 CA TRP 112 0.0494 89.7543 94.6900
858 CA MET 113 0.0561 90.0316 94.0000
866 CA THR 114 0.0912 91.4862 92.1200
873 CA HIS 115 0.1104 92.2855 89.0600
883 CA ASN 116 0.1885 95.5207 88.5600
891 CA PRO 117 0.1973 95.8867 90.5600
898 CA PRO 118 0.1112 92.3161 93.2500
905 CA ILE 119 0.0575 90.0913 95.0000
913 CA PRO 120 0.0501 89.7828 95.7500
920 CA VAL 121 0.0249 88.7387 97.7500
927 CA GLY 122 0.0246 88.7250 97.4400
931 CA GLU 123 0.0378 89.2746 97.7500
940 CA ILE 124 0.0329 89.0692 98.3800
948 CA TYR 125 0.0201 88.5395 98.7500
960 CA LYS 126 0.0267 88.8127 98.5000
969 CA ARG 127 0.0427 89.4756 98.3100
980 CA TRP 128 0.0300 88.9517 98.6200
994 CA ILE 129 0.0253 88.7537 98.5600
1002 CA ILE 130 0.0377 89.2714 97.9400
1010 CA LEU 131 0.0427 89.4783 97.5000
1018 CA GLY 132 0.0360 89.1984 97.5600
1022 CA LEU 133 0.0386 89.3078 97.0600
1030 CA ASN 134 0.0482 89.7039 94.7500
1038 CA LYS 135 0.0493 89.7517 94.3100
1047 CA ILE 136 0.0452 89.5794 95.3100
1055 CA VAL 137 0.0497 89.7686 94.0000
1062 CA ARG 138 0.0595 90.1755 90.1900
1073 CA MET 139 0.0577 90.0992 89.9400
1081 CA TYR 140 0.0607 90.2225 89.3100
1093 CA SER 141 0.0619 90.2710 88.2500
1099 CA PRO 142 0.1014 91.9089 85.8800
1106 CA THR 143 0.0764 90.8734 89.4400
1113 CA SER 144 0.0782 90.9482 91.1900
1119 CA ILE 145 0.0484 89.7143 93.1200
1127 CA LEU 146 0.0743 90.7875 93.3100
1135 CA ASP 147 0.0852 91.2391 94.8800
1143 CA ILE 148 0.0471 89.6585 97.3100
1151 CA ARG 149 0.0625 90.2981 97.9400
1162 CA GLN 150 0.0674 90.5013 98.2500
1171 CA GLY 151 0.1503 93.9381 97.6900
1175 CA PRO 152 0.2259 97.0699 96.8100
1182 CA LYS 153 0.2608 98.5175 95.7500
1191 CA GLU 154 0.1606 94.3650 97.5600
1200 CA PRO 155 0.1449 93.7156 97.3800
1207 CA PHE 156 0.0851 91.2336 97.5000
1218 CA ARG 157 0.1082 92.1913 96.5600
1229 CA ASP 158 0.1006 91.8762 97.3100
1237 CA TYR 159 0.0500 89.7785 97.7500
1249 CA VAL 160 0.0391 89.3290 97.0600
1256 CA ASP 161 0.0588 90.1460 95.5000
1264 CA ARG 162 0.0451 89.5772 95.6200
1275 CA PHE 163 0.0233 88.6713 96.7500
1286 CA TYR 164 0.0382 89.2890 94.8800
1298 CA LYS 165 0.0432 89.4985 91.0000
1307 CA THR 166 0.0377 89.2686 93.2500
1314 CA LEU 167 0.0411 89.4092 93.6200
1322 CA ARG 168 0.0562 90.0366 90.5000
1333 CA ALA 169 0.0544 89.9603 91.0600
1338 CA GLU 170 0.0645 90.3824 90.0600
1347 CA GLN 171 0.0860 91.2722 85.7500
1356 CA ALA 172 0.1289 93.0524 88.1900
1361 CA SER 173 0.2403 97.6696 91.3100
1367 CA GLN 174 0.2385 97.5947 91.5600
1376 CA GLU 175 0.2571 98.3658 94.0000
1385 CA VAL 176 0.1652 94.5571 94.5000
1392 CA LYS 177 0.1047 92.0473 93.8100
1401 CA ASN 178 0.1436 93.6608 93.6900
1409 CA TRP 179 0.1263 92.9441 94.8800
1423 CA MET 180 0.0680 90.5280 95.4400
1431 CA THR 181 0.0650 90.3997 94.8100
1438 CA GLU 182 0.0955 91.6666 92.6200
1447 CA THR 183 0.0891 91.4006 94.3100
1454 CA LEU 184 0.0585 90.1307 96.6200
1462 CA LEU 185 0.0325 89.0533 96.7500
1470 CA VAL 186 0.0484 89.7134 96.5000
1477 CA GLN 187 0.0704 90.6261 96.2500
1486 CA ASN 188 0.0533 89.9161 97.8100
1494 CA ALA 189 0.0540 89.9451 97.7500
1499 CA ASN 190 0.1024 91.9526 98.0000
1507 CA PRO 191 0.1629 94.4615 97.9400
1514 CA ASP 192 0.1718 94.8287 97.1200
1522 CA CYS 193 0.1022 91.9445 97.4400
1528 CA LYS 194 0.0936 91.5853 97.0600
1537 CA THR 195 0.1598 94.3298 97.2500
1544 CA ILE 196 0.1544 94.1064 96.7500
1552 CA LEU 197 0.1124 92.3677 96.5000
1560 CA LYS 198 0.1602 94.3486 94.7500
1569 CA ALA 199 0.2293 97.2125 95.5600
1574 CA LEU 200 0.2168 96.6961 93.6200
1582 CA GLY 201 0.3034 100.2831 89.2500
1586 CA PRO 202 0.3757 103.2817 86.8800
1593 CA GLY 203 0.2869 99.6009 84.8100
1597 CA ALA 204 0.2156 96.6428 90.0600
1602 CA THR 205 0.2269 97.1113 93.7500
1609 CA LEU 206 0.1453 93.7299 93.1200
1617 CA GLU 207 0.2321 97.3270 94.3100
1626 CA GLU 208 0.2132 96.5457 95.5000
1635 CA MET 209 0.1212 92.7305 95.6900
1643 CA MET 210 0.1387 93.4582 95.1900
1651 CA THR 211 0.2314 97.3016 96.0600
1658 CA ALA 212 0.1927 95.6938 94.8100
1663 CA CYS 213 0.1442 93.6866 95.9400
1669 CA GLN 214 0.2358 97.4823 93.3800
1678 CA GLY 215 0.2926 99.8384 88.1900
1682 CA VAL 216 0.2132 96.5445 89.7500

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.