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

* 8d9p *

B-factor analysis for ID 22100401063033404

Overall B-factor prediction

Correlation= 0.639 for 195 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 SER 2 0.1383 58.1501 71.0800
8 CA PRO 3 0.1404 58.8085 92.5100
15 CA GLU 4 0.1085 48.8706 108.3000
24 CA LEU 5 0.0568 32.7847 49.0500
32 CA ARG 6 0.0517 31.1771 40.4900
43 CA GLN 7 0.0685 36.4143 50.9400
52 CA GLU 8 0.0448 29.0412 38.3600
61 CA HIS 9 0.0257 23.1017 38.3700
71 CA GLN 10 0.0413 27.9598 28.9800
80 CA GLN 11 0.0457 29.3021 43.0500
89 CA LEU 12 0.0276 23.6675 25.2100
97 CA ALA 13 0.0242 22.6224 20.4300
102 CA GLN 14 0.0378 26.8555 25.1700
111 CA GLU 15 0.0338 25.6195 28.4900
120 CA PHE 16 0.0229 22.2292 22.2000
131 CA GLN 17 0.0257 23.0887 28.8800
140 CA GLN 18 0.0368 26.5463 19.7100
149 CA LEU 19 0.0297 24.3342 20.7300
157 CA LEU 20 0.0263 23.2629 22.8200
165 CA GLN 21 0.0335 25.5237 18.9800
174 CA GLU 22 0.0348 25.9329 23.7500
183 CA ILE 23 0.0286 23.9820 15.6200
191 CA GLN 24 0.0301 24.4430 14.5100
200 CA GLN 25 0.0391 27.2581 17.9800
209 CA LEU 26 0.0314 24.8598 28.2200
217 CA GLY 27 0.0286 24.0050 28.2200
221 CA ARG 28 0.0369 26.5724 27.5600
232 CA GLU 29 0.0397 27.4392 21.8800
241 CA LEU 30 0.0281 23.8331 19.6100
249 CA LEU 31 0.0308 24.6613 21.9200
257 CA LYS 32 0.0546 32.0985 24.8600
266 CA GLY 33 0.0444 28.9261 22.1000
270 CA GLU 34 0.0246 22.7502 22.4900
279 CA LEU 35 0.0372 26.6694 27.2000
287 CA GLN 36 0.0684 36.3728 31.6200
296 CA GLY 37 0.0548 32.1643 42.7400
300 CA ILE 38 0.0297 24.3415 39.8800
308 CA LYS 39 0.0519 31.2541 39.8700
317 CA GLN 40 0.0435 28.6434 39.2100
326 CA LEU 41 0.0247 22.7727 27.4000
334 CA ARG 42 0.0392 27.2936 29.8900
345 CA GLU 43 0.0609 34.0399 44.3800
354 CA ALA 44 0.0415 28.0116 24.0400
359 CA SER 45 0.0389 27.1982 21.0800
365 CA GLU 46 0.0792 39.7376 41.1400
374 CA LYS 47 0.1070 48.3921 40.3500
383 CA ALA 48 0.0770 39.0725 28.3900
388 CA ARG 49 0.1475 61.0276 25.3100
399 CA ASN 50 0.1301 55.5821 28.8900
407 CA PRO 51 0.1226 53.2584 23.6100
414 CA GLU 52 0.0926 43.9085 32.4600
423 CA LYS 53 0.0511 30.9950 26.5200
432 CA LYS 54 0.0524 31.3882 37.1800
441 CA SER 55 0.0637 34.9303 23.1500
447 CA VAL 56 0.0332 25.4132 35.2100
454 CA LEU 57 0.0217 21.8549 27.7800
462 CA GLN 58 0.0326 25.2244 30.8400
471 CA LYS 59 0.0303 24.5290 23.6600
480 CA ILE 60 0.0154 19.8762 20.9500
488 CA LEU 61 0.0194 21.1327 22.9100
496 CA GLU 62 0.0326 25.2426 21.2700
505 CA ASP 63 0.0221 21.9716 22.5400
513 CA GLU 64 0.0173 20.4668 14.7100
522 CA GLU 65 0.0282 23.8714 26.5600
531 CA LYS 66 0.0333 25.4674 19.1900
540 CA HIS 67 0.0223 22.0427 25.2300
550 CA ILE 68 0.0262 23.2471 22.0600
558 CA GLU 69 0.0405 27.7034 24.0700
567 CA LEU 70 0.0298 24.3632 16.2500
575 CA LEU 71 0.0257 23.0970 15.1900
583 CA GLU 72 0.0338 25.6038 23.4100
592 CA THR 73 0.0350 25.9977 21.9000
599 CA LEU 74 0.0285 23.9609 29.6000
607 CA GLN 75 0.0299 24.3962 33.2800
616 CA GLN 76 0.0370 26.6123 28.6900
625 CA THR 77 0.0291 24.1429 20.5200
632 CA GLY 78 0.0275 23.6465 26.3400
636 CA GLN 79 0.0319 25.0260 19.4500
645 CA GLU 80 0.0318 24.9980 18.4400
654 CA ALA 81 0.0248 22.8129 22.5600
659 CA GLN 82 0.0265 23.3453 27.2600
668 CA GLN 83 0.0346 25.8616 39.4100
677 CA LEU 84 0.0248 22.8053 30.5000
685 CA LEU 85 0.0214 21.7365 21.5500
693 CA GLN 86 0.0332 25.4309 18.8800
702 CA GLU 87 0.0310 24.7248 19.7000
711 CA LEU 88 0.0213 21.7142 21.6800
719 CA GLN 89 0.0349 25.9613 25.0300
728 CA GLN 90 0.0521 31.3001 17.5000
737 CA THR 91 0.0352 26.0375 24.5300
744 CA GLY 92 0.0359 26.2730 21.1400
748 CA GLN 93 0.0637 34.9147 32.0700
757 CA GLU 94 0.0627 34.6230 28.8100
766 CA LEU 95 0.0518 31.2055 25.2000
774 CA TRP 96 0.0753 38.5183 21.8600
788 CA GLN 97 0.1020 46.8402 28.8200
797 CA LEU 98 0.1150 50.8876 29.1200
805 CA GLY 99 0.1397 58.5740 36.3100
809 CA GLY 100 0.1208 52.7004 33.9300
813 CA SER 101 0.2020 77.9896 38.9500
819 CA GLY 102 0.2559 94.7832 32.7500
823 CA GLY 103 0.1996 77.2486 34.4800
827 CA PRO 104 0.1047 47.6722 37.3600
834 CA GLU 105 0.0995 46.0804 23.9000
843 CA LEU 106 0.0556 32.4001 21.9400
851 CA ARG 107 0.0433 28.5766 30.4900
862 CA GLN 108 0.0502 30.7023 43.0900
871 CA LYS 109 0.0406 27.7347 36.8700
880 CA HIS 110 0.0236 22.4319 38.2300
890 CA GLN 111 0.0306 24.6049 32.8800
899 CA GLN 112 0.0394 27.3417 26.8900
908 CA LEU 113 0.0263 23.2847 21.4200
916 CA ALA 114 0.0218 21.8659 23.5400
921 CA GLN 115 0.0316 24.9209 33.4400
930 CA LYS 116 0.0310 24.7360 28.3900
939 CA ILE 117 0.0219 21.8961 29.6800
947 CA GLN 118 0.0255 23.0367 32.2900
956 CA GLN 119 0.0355 26.1349 30.1400
965 CA LEU 120 0.0297 24.3257 26.6300
973 CA LEU 121 0.0258 23.1349 29.2700
981 CA GLN 122 0.0337 25.5646 27.2800
990 CA LYS 123 0.0337 25.5813 22.8000
999 CA HIS 124 0.0279 23.7810 25.8800
1009 CA GLN 125 0.0308 24.6907 22.4900
1018 CA GLN 126 0.0380 26.9307 28.9700
1027 CA LEU 127 0.0301 24.4571 21.7700
1035 CA GLY 128 0.0288 24.0662 25.8300
1039 CA ALA 129 0.0331 25.3833 24.9400
1044 CA LYS 130 0.0333 25.4438 24.5800
1053 CA ILE 131 0.0226 22.1306 17.8700
1061 CA LEU 132 0.0254 22.9852 19.2800
1069 CA GLU 133 0.0372 26.6554 27.2000
1078 CA ASP 134 0.0236 22.4375 17.5600
1086 CA GLU 135 0.0178 20.6424 15.0900
1095 CA GLU 136 0.0279 23.7845 23.9000
1104 CA LYS 137 0.0326 25.2324 30.5700
1113 CA HIS 138 0.0182 20.7617 20.2900
1123 CA ILE 139 0.0257 23.0898 25.5200
1131 CA GLU 140 0.0499 30.6335 21.4300
1140 CA LEU 141 0.0325 25.2056 17.6800
1148 CA LEU 142 0.0269 23.4647 11.4500
1156 CA GLU 143 0.0524 31.3921 15.4900
1165 CA THR 144 0.0702 36.9526 25.9100
1172 CA ILE 145 0.0580 33.1361 22.4900
1180 CA LEU 146 0.0732 37.8899 45.1600
1188 CA GLY 147 0.1941 75.5373 78.6000
1192 CA GLY 148 0.4592 158.0789 97.4000
1196 CA SER 149 0.2490 92.6292 106.8500
1202 CA GLY 150 0.1744 69.3913 99.0200
1206 CA GLY 151 0.0986 45.7904 59.6600
1210 CA ASP 152 0.1146 50.7611 35.3100
1218 CA GLU 153 0.0620 34.3914 39.0200
1227 CA LEU 154 0.0391 27.2762 49.0400
1235 CA ARG 155 0.0545 32.0415 37.0900
1246 CA GLU 156 0.0538 31.8486 30.9000
1255 CA LEU 157 0.0275 23.6459 30.8200
1263 CA LEU 158 0.0297 24.3297 23.5800
1271 CA LYS 159 0.0555 32.3720 33.4800
1280 CA GLY 160 0.0463 29.5055 30.3100
1284 CA GLU 161 0.0213 21.7305 20.3400
1293 CA LEU 162 0.0331 25.3894 34.9600
1301 CA GLN 163 0.0522 31.3408 35.6300
1310 CA GLY 164 0.0294 24.2464 21.4600
1314 CA ILE 165 0.0270 23.4865 27.3300
1322 CA LYS 166 0.0422 28.2164 27.7100
1331 CA GLN 167 0.0320 25.0648 27.2000
1340 CA TYR 168 0.0264 23.2927 17.7300
1352 CA ARG 169 0.0359 26.2720 30.1600
1363 CA GLU 170 0.0369 26.5704 23.0300
1372 CA LEU 171 0.0301 24.4585 23.4700
1380 CA GLN 172 0.0336 25.5361 21.9100
1389 CA GLN 173 0.0424 28.2731 33.1600
1398 CA LEU 174 0.0341 25.7033 26.6700
1406 CA GLY 175 0.0308 24.6786 23.9800
1410 CA GLN 176 0.0371 26.6292 34.0500
1419 CA LYS 177 0.0365 26.4443 29.2700
1428 CA ALA 178 0.0270 23.5008 26.6100
1433 CA GLN 179 0.0286 23.9934 30.8700
1442 CA GLN 180 0.0360 26.2909 41.1100
1451 CA LEU 181 0.0247 22.7894 33.6900
1459 CA VAL 182 0.0206 21.5112 32.9200
1466 CA GLN 183 0.0309 24.7036 43.5700
1475 CA LYS 184 0.0298 24.3707 26.8300
1484 CA LEU 185 0.0200 21.3120 25.9800
1492 CA GLN 186 0.0276 23.6687 39.5500
1501 CA GLN 187 0.0395 27.3994 37.9800
1510 CA THR 188 0.0316 24.9374 24.9900
1517 CA GLY 189 0.0299 24.4012 37.4900
1521 CA GLN 190 0.0489 30.3097 50.9900
1530 CA LYS 191 0.0597 33.6871 46.0600
1539 CA LEU 192 0.0516 31.1681 60.1600
1547 CA TRP 193 0.0616 34.2643 41.8400
1561 CA GLN 194 0.0946 44.5290 79.1200
1570 CA LEU 195 0.1248 53.9308 40.2500
1578 CA GLY 196 0.1537 62.9555 71.2800

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: October 18th, 2018.

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