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

* markelzLastMinute *

B-factor analysis for ID 22030900130571040

Overall B-factor prediction

Correlation= 0.549 for 129 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 LYS 1 0.0287 18.3385 16.9600
11 CA VAL 2 0.0256 17.9376 19.2700
18 CA PHE 3 0.0153 16.5683 18.2800
29 CA GLY 4 0.0268 18.0963 19.4600
33 CA ARG 5 0.0170 16.7957 18.9500
44 CA CYS 6 0.0199 17.1819 18.5200
50 CA GLU 7 0.0240 17.7178 17.6300
59 CA LEU 8 0.0109 15.9874 13.8300
67 CA ALA 9 0.0114 16.0603 15.0100
72 CA ALA 10 0.0196 17.1349 17.7000
77 CA ALA 11 0.0182 16.9605 16.7500
82 CA MET 12 0.0107 15.9606 16.0800
90 CA LYS 13 0.0168 16.7648 21.2800
99 CA ARG 14 0.0414 20.0283 23.4800
110 CA HIS 15 0.0191 17.0739 21.2700
120 CA GLY 16 0.0219 17.4402 20.7600
124 CA LEU 17 0.0108 15.9792 22.5600
132 CA ASP 18 0.0159 16.6518 25.4200
140 CA ASN 19 0.0242 17.7519 22.6300
148 CA TYR 20 0.0156 16.6116 18.4100
160 CA ARG 21 0.0266 18.0605 20.4400
171 CA GLY 22 0.0450 20.4928 18.2300
175 CA TYR 23 0.0132 16.2957 15.9600
187 CA SER 24 0.0150 16.5331 17.4000
193 CA LEU 25 0.0089 15.7256 15.0300
201 CA GLY 26 0.0099 15.8522 13.0000
205 CA ASN 27 0.0080 15.6008 13.8200
213 CA TRP 28 0.0061 15.3490 11.3300
227 CA VAL 29 0.0064 15.3908 11.5100
234 CA CYS 30 0.0075 15.5463 11.0600
240 CA ALA 31 0.0067 15.4412 15.0400
245 CA ALA 32 0.0082 15.6324 12.2300
250 CA LYS 33 0.0113 16.0469 13.8500
259 CA PHE 34 0.0160 16.6620 15.3000
270 CA GLU 35 0.0104 15.9296 11.7200
279 CA SER 36 0.0127 16.2264 12.5000
285 CA ASN 37 0.0194 17.1084 13.5600
293 CA PHE 38 0.0123 16.1796 13.2800
304 CA ASN 39 0.0158 16.6318 13.4300
312 CA THR 40 0.0134 16.3238 12.6700
319 CA GLN 41 0.0208 17.2987 12.4800
328 CA ALA 42 0.0160 16.6591 15.2200
333 CA THR 43 0.0215 17.3948 12.4700
340 CA ASN 44 0.0327 18.8700 17.4500
348 CA ARG 45 0.0480 20.8928 18.6900
359 CA ASN 46 0.0622 22.7694 23.0300
367 CA THR 47 0.2089 42.1647 26.7200
374 CA ASP 48 0.1044 28.3457 25.5200
382 CA GLY 49 0.0581 22.2309 22.0700
386 CA SER 50 0.0239 17.7100 18.3800
392 CA THR 51 0.0148 16.5115 10.6900
399 CA ASP 52 0.0120 16.1400 11.7200
407 CA TYR 53 0.0096 15.8235 11.4300
419 CA GLY 54 0.0104 15.9192 11.3200
423 CA ILE 55 0.0084 15.6567 13.8900
431 CA LEU 56 0.0077 15.5666 14.3400
439 CA GLN 57 0.0106 15.9478 12.4700
448 CA ILE 58 0.0078 15.5769 14.6100
456 CA ASN 59 0.0116 16.0828 17.2400
464 CA SER 60 0.0095 15.8021 16.5100
470 CA ARG 61 0.0193 17.1069 23.1400
481 CA TRP 62 0.0193 17.1059 20.4200
495 CA TRP 63 0.0105 15.9376 14.8300
509 CA CYS 64 0.0098 15.8434 15.5600
515 CA ASN 65 0.0168 16.7690 17.5600
523 CA ASP 66 0.0236 17.6646 15.1400
531 CA GLY 67 0.2169 43.2182 18.3300
535 CA ARG 68 0.0535 21.6185 20.7300
546 CA THR 69 0.0321 18.7865 26.2900
553 CA PRO 70 0.1206 30.4951 35.5400
560 CA GLY 71 0.2853 52.2677 39.2200
564 CA SER 72 0.0331 18.9281 36.1800
570 CA ARG 73 0.0390 19.6984 35.3400
581 CA ASN 74 0.0223 17.4979 26.2700
589 CA LEU 75 0.0240 17.7162 22.2600
597 CA CYS 76 0.0188 17.0296 19.4200
603 CA ASN 77 0.0480 20.8878 26.0400
611 CA ILE 78 0.0230 17.5860 23.6100
619 CA PRO 79 0.0263 18.0319 20.9300
626 CA CYS 80 0.0124 16.1882 12.9500
632 CA SER 81 0.0292 18.4050 15.0400
638 CA ALA 82 0.0237 17.6828 17.2900
643 CA LEU 83 0.0107 15.9681 18.7200
651 CA LEU 84 0.0160 16.6592 17.3800
659 CA SER 85 0.0205 17.2626 19.4700
665 CA SER 86 0.0306 18.5890 22.9200
671 CA ASP 87 0.0357 19.2738 20.7200
679 CA ILE 88 0.0148 16.5016 19.3200
687 CA THR 89 0.0245 17.7839 18.3500
694 CA ALA 90 0.0174 16.8508 16.6600
699 CA SER 91 0.0105 15.9336 16.5900
705 CA VAL 92 0.0122 16.1556 14.9000
712 CA ASN 93 0.0178 16.9014 16.6100
720 CA CYS 94 0.0117 16.0922 14.7900
726 CA ALA 95 0.0100 15.8726 13.4400
731 CA LYS 96 0.0123 16.1745 15.7900
740 CA LYS 97 0.0159 16.6515 20.0100
749 CA ILE 98 0.0120 16.1356 17.3000
757 CA VAL 99 0.0130 16.2690 20.0400
764 CA SER 100 0.0273 18.1617 26.4400
770 CA ASP 101 0.0386 19.6549 38.2800
778 CA GLY 102 0.1725 37.3566 38.7500
782 CA ASN 103 0.0597 22.4447 30.1400
790 CA GLY 104 0.0207 17.2801 18.3000
794 CA MET 105 0.0125 16.1952 15.2200
802 CA ASN 106 0.0245 17.7937 15.7200
810 CA ALA 107 0.0231 17.5994 14.5100
815 CA TRP 108 0.0162 16.6844 16.3500
829 CA VAL 109 0.0351 19.1948 16.4600
836 CA ALA 110 0.0211 17.3410 14.5000
841 CA TRP 111 0.0138 16.3730 11.8800
855 CA ARG 112 0.0242 17.7434 16.1500
866 CA ASN 113 0.0443 20.4059 14.2400
874 CA ARG 114 0.0296 18.4609 15.8900
885 CA CYS 115 0.0166 16.7489 13.4700
891 CA LYS 116 0.0295 18.4514 14.6600
900 CA GLY 117 0.2838 52.0649 21.1400
904 CA THR 118 0.0732 24.2300 20.1600
911 CA ASP 119 0.1087 28.9134 24.7900
919 CA VAL 120 0.0180 16.9300 23.6300
926 CA GLN 121 0.0374 19.4981 25.6700
935 CA ALA 122 0.0346 19.1214 21.1000
940 CA TRP 123 0.0136 16.3441 21.0900
954 CA ILE 124 0.0184 16.9787 23.2600
962 CA ARG 125 0.0517 21.3880 30.1300
973 CA GLY 126 0.1781 38.0913 27.6800
977 CA CYS 127 0.0511 21.3087 26.0900
983 CA ARG 128 0.1469 33.9655 33.4100
994 CA LEU 129 0.0816 25.3419 40.9700

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.