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

* HYDROLASE 16-OCT-20 7AP7 *

B-factor analysis for ID 2407290648321926925

Overall B-factor prediction

Correlation= 0.319 for 138 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 0.0058 12.6975 13.6600
26 CA VAL 2 0.0059 12.7368 11.4200
42 CA PHE 3 0.0030 11.4677 11.2800
62 CA GLU 4 0.0065 13.0122 13.8900
77 CA ARG 5 0.0033 11.6180 13.0400
101 CA CYS 6 0.0033 11.6278 13.1800
111 CA GLU 7 0.0036 11.7463 12.9800
126 CA LEU 8 0.0015 10.8389 9.3900
145 CA ALA 9 0.0016 10.8673 10.3600
155 CA ARG 10 0.0031 11.5089 14.0200
156 CA ARG 10 0.0031 11.5141 14.3700
198 CA THR 11 0.0022 11.1451 11.4100
212 CA LEU 12 0.0014 10.7659 11.1700
231 CA LYS 13 0.0028 11.4169 14.4200
253 CA ARG 14 0.0067 13.1062 16.4800
277 CA LEU 15 0.0032 11.5509 13.5800
296 CA GLY 16 0.0038 11.8466 15.4100
303 CA MET 17 0.0017 10.9243 10.2200
304 CA MET 17 0.0017 10.9217 10.9100
332 CA ASP 18 0.0028 11.3789 15.2900
344 CA GLY 19 0.0057 12.6577 12.8700
351 CA TYR 20 0.0031 11.5247 10.5600
372 CA ARG 21 0.0074 13.4013 11.1600
373 CA ARG 21 0.0074 13.3950 11.0300
415 CA GLY 22 0.0202 19.0497 9.6000
422 CA ILE 23 0.0024 11.2152 8.8000
441 CA SER 24 0.0025 11.2586 9.8500
452 CA LEU 25 0.0017 10.9316 9.5700
484 CA ALA 26 0.0018 10.9679 9.1800
494 CA ASN 27 0.0015 10.8428 8.1300
508 CA TRP 28 0.0010 10.6125 8.1300
532 CA MET 29 0.0012 10.6727 8.6500
550 CA CYS 30 0.0017 10.8999 9.5500
551 CA CYS 30 0.0017 10.9004 10.7400
569 CA LEU 31 0.0014 10.7613 8.4400
588 CA ALA 32 0.0015 10.8163 8.3800
598 CA LYS 33 0.0025 11.2844 8.3700
620 CA TRP 34 0.0046 12.1861 10.4200
644 CA GLU 35 0.0022 11.1431 10.6600
659 CA SER 36 0.0028 11.3970 10.3100
670 CA GLY 37 0.0037 11.7994 11.7400
677 CA TYR 38 0.0024 11.2319 9.2600
698 CA ASN 39 0.0034 11.6371 9.3600
712 CA THR 40 0.0028 11.3797 9.6500
726 CA ARG 41 0.0058 12.6974 12.8400
750 CA ALA 42 0.0040 11.9338 11.7700
760 CA THR 43 0.0062 12.8692 12.0000
774 CA ASN 44 0.0107 14.8798 11.5700
788 CA TYR 45 0.0128 15.7911 13.6900
809 CA ASN 46 0.0155 16.9586 12.6500
823 CA ALA 47 0.0323 24.3198 13.0100
833 CA GLY 48 0.0595 36.2863 13.0000
840 CA ASP 49 0.0207 19.2263 11.9600
852 CA ARG 50 0.0138 16.2020 15.6900
876 CA SER 51 0.0061 12.8476 12.5900
887 CA THR 52 0.0040 11.9366 10.6100
901 CA ASP 53 0.0031 11.5488 9.6200
913 CA TYR 54 0.0022 11.1501 8.7000
934 CA GLY 55 0.0021 11.0872 10.4400
941 CA ILE 56 0.0016 10.8804 9.2800
960 CA PHE 57 0.0013 10.7589 9.7900
980 CA GLN 58 0.0021 11.1099 9.0800
997 CA ILE 59 0.0017 10.9255 10.3200
998 CA ILE 59 0.0017 10.9245 9.9800
1030 CA ASN 60 0.0026 11.3089 11.2700
1044 CA SER 61 0.0025 11.2698 11.4200
1055 CA ARG 62 0.0059 12.7742 13.1600
1079 CA TYR 63 0.0054 12.5524 15.0100
1100 CA ARG 64 0.0022 11.1474 13.1100
1124 CA CYS 65 0.0021 11.0746 13.0200
1134 CA ASN 66 0.0043 12.0468 12.5100
1148 CA ASP 67 0.0063 12.9508 10.9500
1160 CA GLY 68 0.0300 23.3294 12.5800
1167 CA LYS 69 0.0170 17.6434 14.5200
1189 CA THR 70 0.0082 13.7577 13.6500
1203 CA PRO 71 0.0210 19.3878 18.4500
1217 CA GLY 72 0.0421 28.6156 18.6900
1224 CA ALA 73 0.0103 14.6980 16.5900
1234 CA VAL 74 0.0128 15.7750 20.2400
1250 CA ASN 75 0.0060 12.7941 18.9400
1264 CA ALA 76 0.0047 12.2383 21.2700
1274 CA CYS 77 0.0030 11.4732 16.9800
1284 CA HIS 78 0.0095 14.3351 19.9900
1285 CA HIS 78 0.0095 14.3303 20.6300
1315 CA LEU 79 0.0040 11.9345 18.6400
1334 CA SER 80 0.0055 12.5854 13.6700
1345 CA CYS 81 0.0026 11.3084 11.1400
1355 CA SER 82 0.0061 12.8212 13.6000
1371 CA ALA 83 0.0043 12.0477 11.9300
1381 CA LEU 84 0.0021 11.0742 10.7800
1400 CA LEU 85 0.0037 11.7866 11.3700
1419 CA GLN 86 0.0049 12.3112 13.3200
1436 CA ASP 87 0.0062 12.9062 11.1100
1448 CA ASN 88 0.0075 13.4659 12.5000
1462 CA ILE 89 0.0024 11.2001 10.6000
1481 CA ALA 90 0.0046 12.1900 11.0800
1491 CA ASP 91 0.0035 11.7166 11.7000
1503 CA ALA 92 0.0017 10.9295 9.7200
1513 CA VAL 93 0.0018 10.9740 9.3500
1529 CA ALA 94 0.0023 11.1894 10.4700
1539 CA CYS 95 0.0017 10.9267 11.2600
1549 CA ALA 96 0.0014 10.7815 10.3000
1559 CA LYS 97 0.0021 11.0846 11.1700
1581 CA ARG 98 0.0028 11.3920 15.1700
1605 CA VAL 99 0.0019 10.9941 14.7800
1621 CA VAL 100 0.0022 11.1536 12.7900
1637 CA ARG 101 0.0044 12.1137 16.8600
1661 CA ASP 102 0.0051 12.4138 22.4300
1673 CA PRO 103 0.0159 17.1504 19.0700
1687 CA GLN 104 0.0093 14.2298 18.1300
1704 CA GLY 105 0.0037 11.7811 15.0100
1711 CA ILE 106 0.0022 11.1189 14.4000
1730 CA ARG 107 0.0047 12.2493 12.7500
1731 CA ARG 107 0.0048 12.2535 13.1200
1773 CA ALA 108 0.0044 12.1179 16.7100
1783 CA TRP 109 0.0029 11.4512 12.4600
1807 CA VAL 110 0.0093 14.2542 16.5200
1823 CA ALA 111 0.0062 12.8917 18.8300
1833 CA TRP 112 0.0031 11.5119 14.6300
1857 CA ARG 113 0.0061 12.8345 9.8400
1881 CA ASN 114 0.0099 14.5011 10.5400
1895 CA ARG 115 0.0056 12.6304 11.4100
1919 CA CYS 116 0.0034 11.6714 9.4400
1920 CA CYS 116 0.0034 11.6696 10.6400
1934 CA GLN 117 0.0066 13.0424 11.0000
1951 CA ASN 118 0.0274 22.2070 13.1600
1965 CA ARG 119 0.0116 15.2728 11.4600
1989 CA ASP 120 0.0174 17.8072 13.6800
2001 CA VAL 121 0.0041 11.9681 12.3800
2017 CA ARG 122 0.0076 13.5163 19.7500
2041 CA GLN 123 0.0073 13.3791 20.7700
2058 CA TYR 124 0.0026 11.2870 14.1500
2079 CA VAL 125 0.0031 11.5126 14.7000
2095 CA GLN 126 0.0127 15.7253 21.5900
2112 CA GLY 127 0.0292 22.9953 19.9700
2119 CA CYS 128 0.0058 12.6940 19.0600
2129 CA GLY 129 0.0171 17.6845 22.6600
2136 CA VAL 130 0.0062 12.8754 24.0500

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.