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

* 3p6d *

B-factor analysis for ID 2402131150102621916

Overall B-factor prediction

Correlation= 0.603 for 160 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 GLN -7 34.0042 51.4230 31.8500
7 CA GLN -6 13.1329 26.9816 25.7600
12 CA MET -5 6.3927 19.0884 22.2700
20 CA GLY -4 2.4722 14.4973 22.4400
24 CA ARG -3 0.7026 12.4250 21.9500
35 CA GLY -2 0.5812 12.2828 17.8500
39 CA SER -1 0.1414 11.7678 16.5300
46 CA MET 0 0.0836 11.7001 15.3300
47 CA MET 0 0.0847 11.7013 18.3400
61 CA CYS 1 0.0487 11.6592 17.0000
62 CA CYS 1 0.0483 11.6587 16.5200
70 CA ASP 2 0.0652 11.6785 17.6500
78 CA ALA 3 0.0491 11.6596 16.0200
83 CA PHE 4 0.0334 11.6413 10.4900
94 CA VAL 5 0.0465 11.6566 10.4200
101 CA GLY 6 0.0499 11.6606 11.9800
105 CA THR 7 0.0478 11.6582 10.7000
112 CA TRP 8 0.0323 11.6400 9.7000
126 CA LYS 9 0.0329 11.6407 10.4600
135 CA LEU 10 0.0243 11.6306 10.4300
143 CA VAL 11 0.0348 11.6430 13.2400
150 CA SER 12 0.0352 11.6435 13.1400
156 CA SER 13 0.0259 11.6326 13.0500
163 CA GLU 14 0.0355 11.6437 10.2700
164 CA GLU 14 0.0359 11.6442 12.3900
178 CA ASN 15 0.0295 11.6367 8.8400
179 CA ASN 15 0.0296 11.6369 10.5200
191 CA PHE 16 0.0191 11.6245 10.0700
202 CA ASP 17 0.0299 11.6372 11.7900
210 CA ASP 18 0.0296 11.6368 12.8600
218 CA TYR 19 0.0161 11.6210 9.4100
230 CA MET 20 0.0171 11.6222 9.5500
238 CA LYS 21 0.0303 11.6377 12.3300
247 CA GLU 22 0.0299 11.6372 13.1600
256 CA VAL 23 0.0197 11.6252 11.9700
263 CA GLY 24 0.0329 11.6407 12.9500
267 CA VAL 25 0.0287 11.6358 11.0000
274 CA GLY 26 0.0593 11.6717 13.6200
278 CA PHE 27 0.0759 11.6910 12.6100
289 CA ALA 28 0.0720 11.6866 12.9900
294 CA THR 29 0.0308 11.6382 11.7800
301 CA ARG 30 0.0281 11.6351 10.8000
312 CA LYS 31 0.0475 11.6578 11.6300
321 CA VAL 32 0.0373 11.6459 12.5300
322 CA VAL 32 0.0378 11.6464 12.9400
332 CA ALA 33 0.0232 11.6294 11.9400
337 CA GLY 34 0.0287 11.6358 13.0300
341 CA MET 35 0.0481 11.6585 11.3400
349 CA ALA 36 0.0322 11.6399 11.2000
354 CA LYS 37 0.0327 11.6405 11.9600
363 CA PRO 38 0.0290 11.6362 12.0700
370 CA ASN 39 0.0336 11.6415 12.9600
378 CA MET 40 0.0286 11.6357 12.0900
386 CA ILE 41 0.0408 11.6499 11.4700
394 CA ILE 42 0.0391 11.6480 9.3100
402 CA SER 43 0.0588 11.6711 10.3600
408 CA VAL 44 0.0745 11.6894 11.4200
415 CA ASN 45 0.1573 11.7864 10.6300
423 CA GLY 46 0.2232 11.8636 13.1400
427 CA ASP 47 0.1524 11.7807 12.3700
435 CA VAL 48 0.0796 11.6955 9.0400
442 CA ILE 49 0.0503 11.6611 8.6100
450 CA THR 50 0.0476 11.6579 8.6700
457 CA ILE 51 0.0326 11.6404 9.2800
465 CA LYS 52 0.0370 11.6455 11.6400
474 CA SER 53 0.0342 11.6422 11.4100
480 CA GLU 54 0.0384 11.6471 12.6600
490 CA SER 55 0.0335 11.6415 9.0500
491 CA SER 55 0.0364 11.6448 14.4600
502 CA THR 56 0.0417 11.6510 8.8700
503 CA THR 56 0.0467 11.6568 13.2000
516 CA PHE 57 0.0279 11.6349 9.9200
517 CA PHE 57 0.0299 11.6372 11.7000
538 CA LYS 58 0.0278 11.6348 11.3500
539 CA LYS 58 0.0290 11.6361 14.3300
555 CA ASN 59 0.0353 11.6435 12.1600
563 CA THR 60 0.0426 11.6521 11.8100
570 CA GLU 61 0.0419 11.6512 11.2700
579 CA ILE 62 0.0360 11.6444 9.4100
587 CA SER 63 0.0490 11.6596 8.6200
593 CA PHE 64 0.0498 11.6605 8.4300
604 CA ILE 65 0.0655 11.6789 8.4500
612 CA LEU 66 0.0538 11.6652 8.8100
620 CA GLY 67 0.0687 11.6826 9.4800
624 CA GLN 68 0.0745 11.6894 8.5300
633 CA GLU 69 0.0671 11.6808 9.0500
642 CA PHE 70 0.0513 11.6623 8.5000
653 CA ASP 71 0.0511 11.6620 10.4200
661 CA GLU 72 0.0307 11.6381 11.9100
671 CA VAL 73 0.0302 11.6375 11.9200
672 CA VAL 73 0.0308 11.6382 13.6900
684 CA THR 74 0.0224 11.6284 12.8700
691 CA ALA 75 0.0256 11.6322 14.5800
696 CA ASP 76 0.0259 11.6325 14.6000
704 CA ASP 77 0.0338 11.6418 17.3100
712 CA ARG 78 0.0220 11.6280 13.8700
723 CA LYS 79 0.0325 11.6402 14.2900
732 CA VAL 80 0.0260 11.6326 10.9000
739 CA LYS 81 0.0366 11.6450 10.2200
748 CA SER 82 0.0291 11.6362 8.7800
754 CA THR 83 0.0351 11.6433 8.7200
761 CA ILE 84 0.0304 11.6378 8.4200
769 CA THR 85 0.0389 11.6477 9.9000
777 CA LEU 86 0.0388 11.6476 10.8100
778 CA LEU 86 0.0382 11.6469 10.5000
793 CA ASP 87 0.0476 11.6579 14.8800
794 CA ASP 87 0.0488 11.6594 12.9600
809 CA GLY 88 0.0603 11.6728 13.8500
810 CA GLY 88 0.0626 11.6755 14.0500
817 CA GLY 89 0.0376 11.6462 13.8800
818 CA GLY 89 0.0384 11.6472 12.9800
824 CA VAL 90 0.0246 11.6309 11.6000
831 CA LEU 91 0.0211 11.6269 9.2600
839 CA VAL 92 0.0214 11.6273 9.2900
846 CA HIS 93 0.0183 11.6236 8.8500
856 CA VAL 94 0.0211 11.6269 9.0900
863 CA GLN 95 0.0199 11.6255 8.8400
872 CA LYS 96 0.0316 11.6391 11.0100
881 CA TRP 97 0.0362 11.6446 13.3500
895 CA ASP 98 0.1042 11.7242 18.5100
896 CA ASP 98 0.1009 11.7204 18.2900
908 CA GLY 99 0.1565 11.7855 18.1900
912 CA LYS 100 0.0473 11.6575 14.3500
921 CA SER 101 0.0280 11.6350 11.6400
927 CA THR 102 0.0164 11.6213 8.9100
934 CA THR 103 0.0145 11.6191 9.4700
941 CA ILE 104 0.0113 11.6154 8.8600
949 CA LYS 105 0.0124 11.6167 8.8500
958 CA ARG 106 0.0125 11.6168 9.2600
969 CA LYS 107 0.0178 11.6230 10.1300
978 CA ARG 108 0.0263 11.6330 10.5900
989 CA GLU 109 0.0466 11.6567 11.6700
998 CA ASP 110 0.0931 11.7112 10.7400
1006 CA ASP 111 0.0576 11.6697 11.5200
1014 CA LYS 112 0.0287 11.6358 10.4500
1023 CA LEU 113 0.0183 11.6236 9.5600
1024 CA LEU 113 0.0183 11.6236 9.5200
1036 CA VAL 114 0.0141 11.6187 9.7500
1043 CA VAL 115 0.0108 11.6149 10.1300
1051 CA GLU 116 0.0111 11.6151 9.4400
1052 CA GLU 116 0.0109 11.6150 10.1400
1068 CA CYS 117 0.0100 11.6139 9.7000
1074 CA VAL 118 0.0145 11.6192 9.6300
1082 CA MET 119 0.0196 11.6251 8.6900
1083 CA MET 119 0.0213 11.6272 10.8500
1098 CA LYS 120 0.0489 11.6595 11.8100
1099 CA LYS 120 0.0513 11.6622 17.7200
1116 CA GLY 121 0.0843 11.7009 12.7200
1117 CA GLY 121 0.0841 11.7007 16.0900
1121 CA VAL 122 0.0287 11.6358 10.2900
1128 CA THR 123 0.0184 11.6238 10.3700
1135 CA SER 124 0.0132 11.6177 10.7800
1141 CA THR 125 0.0145 11.6192 9.9900
1148 CA ARG 126 0.0131 11.6175 11.1600
1159 CA VAL 127 0.0176 11.6228 9.9700
1166 CA TYR 128 0.0203 11.6259 9.1600
1178 CA GLU 129 0.0340 11.6420 10.9300
1179 CA GLU 129 0.0335 11.6415 11.3700
1193 CA ARG 130 0.0465 11.6566 11.6500
1204 CA ALA 131 0.0746 11.6896 17.4200

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.