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

* *

B-factor analysis for ID EXAMPLE3

Overall B-factor prediction

Correlation= .524 for 220 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 LEU 5 .0349 18.0021 15.7400
10 CA VAL 6 .0297 16.2962 13.5700
17 CA VAL 7 .0166 12.0348 9.0100
24 CA ALA 8 .0183 12.5850 13.7900
29 CA THR 9 .0176 12.3592 9.7600
36 CA ASP 10 .0254 14.8994 13.7400
44 CA THR 11 .0377 18.9087 17.9100
51 CA ALA 12 .0386 19.2172 15.0700
56 CA PHE 13 .0250 14.7877 16.3100
67 CA VAL 14 .0252 14.8425 9.3000
74 CA PRO 15 .0177 12.4034 11.7200
81 CA PHE 16 .0134 10.9874 8.0600
92 CA GLU 17 .0161 11.8773 6.6700
101 CA PHE 18 .0257 15.0025 9.5000
112 CA LYS 19 .0562 24.9251 18.5300
121 CA GLN 20 .0795 32.5228 18.8400
130 CA GLY 21 .2401 84.7854 24.6500
134 CA ASP 22 .2064 73.8241 28.0100
142 CA LEU 23 .0798 32.6160 21.6200
150 CA TYR 24 .0376 18.8784 11.9400
162 CA VAL 25 .0237 14.3589 14.0600
169 CA GLY 26 .0159 11.8194 14.1300
173 CA PHE 27 .0107 10.1199 6.4400
184 CA ASP 28 .0087 9.4711 14.9900
192 CA VAL 29 .0108 10.1451 11.1800
199 CA ASP 30 .0116 10.4180 10.8500
207 CA LEU 31 .0095 9.7233 9.6200
215 CA TRP 32 .0079 9.2000 6.7000
229 CA ALA 33 .0173 12.2729 5.5100
234 CA ALA 34 .0211 13.5179 3.7400
239 CA ILE 35 .0167 12.0785 9.2600
247 CA ALA 36 .0237 14.3595 9.5600
252 CA LYS 37 .0425 20.4703 15.2000
261 CA GLU 38 .0420 20.3098 13.1400
270 CA LEU 39 .0462 21.6591 13.1100
278 CA LYS 40 .0763 31.4836 19.7300
287 CA LEU 41 .0481 22.2899 14.7000
295 CA ASP 42 .0734 30.5367 12.4700
303 CA TYR 43 .0380 19.0195 7.9500
315 CA GLU 44 .0415 20.1409 8.7300
324 CA LEU 45 .0281 15.7891 17.2400
332 CA LYS 46 .0344 17.8244 16.8300
341 CA PRO 47 .0336 17.5804 15.4300
348 CA MET 48 .0417 20.1990 19.3200
356 CA ASP 49 .0666 28.3239 17.0800
364 CA PHE 50 .0465 21.7725 13.2200
375 CA SER 51 .0920 36.5722 27.1300
381 CA GLY 52 .0725 30.2498 22.6100
385 CA ILE 53 .0344 17.8369 16.0400
393 CA ILE 54 .0382 19.0731 13.5600
401 CA PRO 55 .0630 27.1463 24.0600
408 CA ALA 56 .0507 23.1370 18.0000
413 CA LEU 57 .0316 16.9107 14.3300
421 CA GLN 58 .0470 21.9242 22.6600
430 CA THR 59 .0763 31.4590 19.8100
437 CA LYS 60 .0591 25.8751 23.0200
446 CA ASN 61 .0694 29.2352 25.3300
454 CA VAL 62 .0357 18.2524 20.6400
461 CA ASP 63 .0232 14.2032 15.2800
469 CA LEU 64 .0138 11.1307 7.1400
477 CA ALA 65 .0095 9.7429 8.9300
482 CA LEU 66 .0080 9.2298 9.2900
490 CA ALA 67 .0141 11.2398 13.3900
495 CA GLY 68 .0160 11.8599 11.3300
499 CA ILE 69 .0184 12.6262 15.2000
507 CA THR 70 .0250 14.7901 18.6500
514 CA ILE 71 .0312 16.7878 17.6400
522 CA THR 72 .0547 24.4362 19.6800
529 CA ASP 73 .1048 40.7518 22.4100
537 CA GLU 74 .1120 43.1011 24.5200
546 CA ARG 75 .0484 22.3790 13.7700
557 CA LYS 76 .0484 22.4062 14.8600
566 CA LYS 77 .0831 33.6976 23.4800
575 CA ALA 78 .0572 25.2662 15.0100
580 CA ILE 79 .0299 16.3546 14.3500
588 CA ASP 80 .0244 14.5885 11.3000
596 CA PHE 81 .0149 11.4998 15.6200
607 CA SER 82 .0146 11.3886 12.5600
613 CA ASP 83 .0172 12.2418 11.9700
621 CA GLY 84 .0182 12.5530 8.9500
625 CA TYR 85 .0120 10.5598 10.6900
637 CA TYR 86 .0143 11.3016 14.1500
649 CA LYS 87 .0244 14.5680 14.9100
658 CA SER 88 .0232 14.2010 19.4000
664 CA GLY 89 .0290 16.0816 23.4400
668 CA LEU 90 .0220 13.8044 21.4700
676 CA LEU 91 .0155 11.6718 21.4400
684 CA VAL 92 .0118 10.4871 22.4900
691 CA MET 93 .0108 10.1543 19.9500
699 CA VAL 94 .0140 11.1961 16.7100
706 CA LYS 95 .0284 15.8684 27.2600
715 CA ALA 96 .0442 21.0152 32.5500
720 CA ASN 97 .0839 33.9561 44.2000
728 CA ASN 98 .0634 27.2767 42.4200
736 CA ASN 99 .1100 42.4309 45.3000
744 CA ASP 100 .0958 37.8180 40.4700
752 CA VAL 101 .0478 22.1845 36.0600
759 CA LYS 102 .0515 23.4145 39.0800
768 CA SER 103 .0449 21.2664 38.1600
774 CA VAL 104 .0587 25.7397 30.7000
781 CA LYS 105 .0389 19.2935 35.7800
790 CA ASP 106 .0533 23.9738 41.8900
798 CA LEU 107 .1047 40.7152 52.8300
806 CA ASP 108 .1214 46.1443 60.3600
814 CA GLY 109 .0788 32.2767 56.8600
818 CA LYS 110 .0436 20.8329 40.8200
827 CA VAL 111 .0300 16.4137 29.6800
834 CA VAL 112 .0196 13.0157 22.2400
841 CA ALA 113 .0220 13.8152 18.1000
846 CA VAL 114 .0281 15.7861 20.5200
853 CA LYS 115 .0514 23.3648 18.5100
862 CA SER 116 .0826 33.5348 22.1700
868 CA GLY 117 .1161 44.4338 30.4600
872 CA THR 118 .0888 35.5429 27.4100
879 CA GLY 119 .0702 29.4878 22.2500
883 CA SER 120 .0393 19.4158 25.1500
889 CA VAL 121 .0550 24.5445 22.5800
896 CA ASP 122 .0790 32.3377 25.5600
904 CA TYR 123 .0490 22.5707 28.0600
916 CA ALA 124 .0392 19.3906 31.8200
921 CA LYS 125 .0713 29.8570 33.8100
930 CA ALA 126 .0912 36.3069 34.5600
935 CA ASN 127 .0637 27.3543 33.8900
943 CA ILE 128 .0495 22.7411 34.4100
951 CA LYS 129 .0703 29.5067 39.9800
960 CA THR 130 .0468 21.8555 38.2700
967 CA LYS 131 .0693 29.1991 38.9800
976 CA ASP 132 .0597 26.0646 33.2800
984 CA LEU 133 .0419 20.2700 26.6900
992 CA ARG 134 .0468 21.8645 19.6700
1003 CA GLN 135 .0581 25.5616 19.2900
1012 CA PHE 136 .0668 28.3830 20.5500
1023 CA PRO 137 .1118 43.0085 25.3700
1030 CA ASN 138 .0850 34.3004 25.5600
1038 CA ILE 139 .0426 20.5122 21.2400
1046 CA ASP 140 .0558 24.8144 20.9200
1054 CA ASN 141 .0585 25.6634 19.9100
1062 CA ALA 142 .0320 17.0489 19.1100
1067 CA TYR 143 .0261 15.1241 22.0600
1079 CA MET 144 .0463 21.7009 23.3300
1087 CA GLU 145 .0384 19.1274 24.7900
1096 CA LEU 146 .0247 14.6852 20.8900
1104 CA GLY 147 .0496 22.7691 27.5800
1108 CA THR 148 .0713 29.8438 25.2500
1115 CA ASN 149 .0680 28.7764 28.5700
1123 CA ARG 150 .0572 25.2604 38.3000
1134 CA ALA 151 .0267 15.3224 28.4600
1139 CA ASP 152 .0224 13.9385 28.2700
1147 CA ALA 153 .0106 10.0989 29.6600
1152 CA VAL 154 .0093 9.6614 26.2700
1159 CA LEU 155 .0106 10.0894 23.7000
1167 CA HIS 156 .0167 12.0657 14.3500
1177 CA ASP 157 .0212 13.5283 18.7100
1185 CA THR 158 .0203 13.2625 15.2200
1192 CA PRO 159 .0206 13.3523 12.7300
1199 CA ASN 160 .0201 13.1914 12.9100
1207 CA ILE 161 .0170 12.1684 9.5600
1215 CA LEU 162 .0182 12.5721 17.6800
1223 CA TYR 163 .0197 13.0392 17.5700
1235 CA PHE 164 .0196 13.0075 17.4500
1246 CA ILE 165 .0236 14.3077 12.0700
1254 CA LYS 166 .0250 14.7716 19.6700
1263 CA THR 167 .0498 22.8473 20.0700
1270 CA ALA 168 .0576 25.3964 26.5800
1275 CA GLY 169 .0447 21.1993 31.5900
1279 CA ASN 170 .0659 28.0887 44.4900
1287 CA GLY 171 .0959 37.8618 36.0500
1291 CA GLN 172 .0544 24.3389 32.1200
1300 CA PHE 173 .0248 14.7067 24.9600
1311 CA LYS 174 .0285 15.9116 22.9100
1320 CA ALA 175 .0221 13.8420 20.2400
1325 CA VAL 176 .0297 16.3008 19.5700
1332 CA GLY 177 .0472 22.0075 28.5100
1336 CA ASP 178 .0390 19.3277 32.5900
1344 CA SER 179 .0296 16.2838 25.0100
1350 CA LEU 180 .0331 17.4118 20.6700
1358 CA GLU 181 .0506 23.1191 27.3900
1367 CA ALA 182 .0403 19.7523 22.1800
1372 CA GLN 183 .0356 18.2324 25.2000
1381 CA GLN 184 .0234 14.2568 20.1400
1390 CA TYR 185 .0140 11.1970 12.1100
1402 CA GLY 186 .0114 10.3650 7.5500
1406 CA ILE 187 .0079 9.2044 14.8800
1414 CA ALA 188 .0112 10.2725 10.3700
1419 CA PHE 189 .0158 11.7807 9.1000
1430 CA PRO 190 .0263 15.2057 13.2100
1437 CA LYS 191 .0419 20.2860 20.6600
1446 CA GLY 192 .0593 25.9347 22.2300
1450 CA SER 193 .0407 19.8699 28.3100
1456 CA ASP 194 .0512 23.2943 23.4400
1464 CA GLU 195 .0660 28.1244 21.5100
1473 CA LEU 196 .0349 17.9945 19.0200
1481 CA ARG 197 .0228 14.0715 14.4700
1492 CA ASP 198 .0372 18.7482 17.9300
1500 CA LYS 199 .0370 18.6883 11.6900
1509 CA VAL 200 .0193 12.9230 8.9400
1516 CA ASN 201 .0227 14.0365 8.3400
1524 CA GLY 202 .0328 17.3031 8.3300
1528 CA ALA 203 .0245 14.6135 13.6800
1533 CA LEU 204 .0190 12.8127 14.3700
1541 CA LYS 205 .0441 21.0032 9.8000
1550 CA THR 206 .0431 20.6742 11.6400
1557 CA LEU 207 .0268 15.3722 9.4300
1565 CA ARG 208 .0337 17.5914 13.0800
1576 CA GLU 209 .0847 34.2087 11.7900
1585 CA ASN 210 .0831 33.6796 9.2900
1593 CA GLY 211 .0516 23.4284 8.2100
1597 CA THR 212 .0345 17.8813 12.4800
1604 CA TYR 213 .0226 14.0058 11.1700
1616 CA ASN 214 .0298 16.3383 16.5700
1624 CA GLU 215 .0316 16.9186 14.0000
1633 CA ILE 216 .0195 12.9775 10.0300
1641 CA TYR 217 .0184 12.6167 11.3500
1653 CA LYS 218 .0265 15.2644 17.5100
1662 CA LYS 219 .0229 14.0875 11.3100
1671 CA TRP 220 .0189 12.7905 18.2800
1685 CA PHE 221 .0212 13.5481 14.9700
1696 CA GLY 222 .0309 16.6864 21.8400
1700 CA THR 223 .0519 23.5209 32.2800
1707 CA GLU 224 .0563 24.9570 33.2800

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.

*** ***

B-factor analysis for ID EXAMPLE3

Overall B-factor prediction

B-factors for all residues

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

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

* *