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

* HYDROLASE 05-JAN-98 1JSF *

B-factor analysis for ID 2503180705283162409

Overall B-factor prediction

Correlation= 0.613 for 130 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 0.0055 15.0574 18.2500
26 CA VAL 2 0.0058 15.2375 14.6600
42 CA PHE 3 0.0031 13.6620 12.2900
62 CA GLU 4 0.0072 16.0611 16.5500
77 CA ARG 5 0.0038 14.0581 13.7000
101 CA CYS 6 0.0043 14.3715 12.4200
111 CA GLU 7 0.0044 14.3853 12.0700
126 CA LEU 8 0.0018 12.8944 10.9000
145 CA ALA 9 0.0019 12.9373 11.3600
155 CA GLY 10 0.0032 13.7357 12.2600
162 CA THR 11 0.0026 13.3709 11.6000
176 CA LEU 12 0.0016 12.7808 11.1800
195 CA LYS 13 0.0033 13.7895 11.9700
217 CA ARG 14 0.0088 16.9383 12.9600
259 CA LEU 15 0.0036 13.9413 11.7100
278 CA GLY 16 0.0039 14.1455 13.4800
285 CA MET 17 0.0019 12.9441 11.6000
302 CA ASP 18 0.0032 13.7269 14.4100
314 CA GLY 19 0.0074 16.1528 15.0500
321 CA TYR 20 0.0036 13.9643 11.9500
342 CA ARG 21 0.0071 15.9794 14.2800
366 CA GLY 22 0.0260 26.9164 12.7600
373 CA ILE 23 0.0029 13.5685 11.7700
392 CA SER 24 0.0028 13.5116 11.9700
403 CA LEU 25 0.0020 13.0050 12.2300
435 CA ALA 26 0.0021 13.0758 12.1600
445 CA ASN 27 0.0017 12.8221 11.7200
459 CA TRP 28 0.0012 12.5531 10.7700
483 CA MET 29 0.0013 12.6024 10.6100
500 CA CYS 30 0.0017 12.8387 11.4700
510 CA LEU 31 0.0015 12.7278 12.2700
529 CA ALA 32 0.0016 12.7804 11.1200
539 CA LYS 33 0.0027 13.4173 12.8800
561 CA TRP 34 0.0048 14.6316 13.4600
585 CA GLU 35 0.0025 13.3008 13.1100
600 CA SER 36 0.0029 13.5175 13.2500
611 CA GLY 37 0.0041 14.2650 14.6200
618 CA TYR 38 0.0025 13.3186 12.4100
639 CA ASN 39 0.0035 13.8705 13.0000
653 CA THR 40 0.0027 13.4087 12.6800
667 CA ARG 41 0.0052 14.8964 16.4600
709 CA ALA 42 0.0038 14.0432 15.2400
719 CA THR 43 0.0054 14.9941 16.6300
733 CA ASN 44 0.0098 17.5297 17.3600
747 CA TYR 45 0.0123 19.0119 19.2600
768 CA ASN 46 0.0152 20.6684 18.0700
782 CA ALA 47 0.0331 31.0446 23.8000
792 CA GLY 48 0.0623 47.9760 22.0700
799 CA ASP 49 0.0213 24.1924 20.3500
811 CA ARG 50 0.0136 19.7587 19.6800
835 CA SER 51 0.0059 15.3067 15.6200
846 CA THR 52 0.0038 14.0926 11.9400
860 CA ASP 53 0.0031 13.6723 12.5900
872 CA TYR 54 0.0023 13.2174 11.1000
893 CA GLY 55 0.0021 13.0622 11.2200
900 CA ILE 56 0.0017 12.8508 11.0600
919 CA PHE 57 0.0015 12.7041 11.5800
939 CA GLN 58 0.0022 13.1612 11.5900
956 CA ILE 59 0.0017 12.8565 12.6900
975 CA ASN 60 0.0028 13.5068 12.2300
989 CA SER 61 0.0026 13.3405 12.0900
1000 CA ARG 62 0.0055 15.0330 16.6100
1024 CA TYR 63 0.0053 14.9452 17.9700
1045 CA TRP 64 0.0025 13.3185 13.1500
1069 CA CYS 65 0.0024 13.2283 12.6000
1079 CA ASN 66 0.0046 14.5141 12.0700
1093 CA ASP 67 0.0063 15.4973 13.4200
1105 CA GLY 68 0.0267 27.3293 14.7100
1112 CA LYS 69 0.0152 20.6856 17.6000
1134 CA THR 70 0.0076 16.2596 18.0100
1148 CA PRO 71 0.0201 23.5285 23.9600
1162 CA GLY 72 0.0358 32.6133 31.9800
1169 CA ALA 73 0.0085 16.8154 26.1000
1179 CA VAL 74 0.0117 18.6294 27.9900
1195 CA ASN 75 0.0056 15.1226 17.5800
1209 CA ALA 76 0.0059 15.2580 15.8400
1219 CA CYS 77 0.0038 14.0480 15.1500
1229 CA HIS 78 0.0130 19.3716 16.7100
1246 CA LEU 79 0.0047 14.5680 16.1400
1265 CA SER 80 0.0062 15.4379 13.2300
1276 CA CYS 81 0.0028 13.5041 11.8200
1286 CA SER 82 0.0059 15.3098 13.5400
1302 CA ALA 83 0.0043 14.3663 12.5600
1312 CA LEU 84 0.0021 13.0822 12.7100
1331 CA LEU 85 0.0036 13.9538 13.5400
1350 CA GLN 86 0.0049 14.7024 14.0100
1367 CA ASP 87 0.0061 15.3815 14.6100
1379 CA ASN 88 0.0067 15.7483 17.7900
1393 CA ILE 89 0.0023 13.2012 12.7000
1412 CA ALA 90 0.0044 14.3917 11.8800
1422 CA ASP 91 0.0037 14.0239 13.0600
1434 CA ALA 92 0.0019 12.9637 12.9200
1444 CA VAL 93 0.0021 13.0558 11.5800
1460 CA ALA 94 0.0028 13.4846 14.0300
1470 CA CYS 95 0.0021 13.0938 11.4600
1480 CA ALA 96 0.0017 12.8534 11.0900
1490 CA LYS 97 0.0025 13.3324 11.6700
1512 CA ARG 98 0.0033 13.7986 12.8700
1536 CA VAL 99 0.0023 13.1766 12.3300
1552 CA VAL 100 0.0026 13.3946 12.6500
1568 CA ARG 101 0.0053 14.9438 17.7800
1592 CA ASP 102 0.0070 15.9255 18.6000
1604 CA PRO 103 0.0217 24.4539 24.3900
1618 CA GLN 104 0.0103 17.8513 21.2300
1635 CA GLY 105 0.0044 14.3842 17.9100
1642 CA ILE 106 0.0025 13.3129 17.1100
1661 CA ARG 107 0.0051 14.8364 17.1300
1685 CA ALA 108 0.0048 14.6700 21.5800
1695 CA TRP 109 0.0033 13.7681 16.7900
1719 CA VAL 110 0.0090 17.0889 20.7700
1735 CA ALA 111 0.0054 14.9785 20.0800
1745 CA TRP 112 0.0033 13.7779 14.2700
1769 CA ARG 113 0.0068 15.8073 16.4300
1793 CA ASN 114 0.0107 18.0442 17.9900
1807 CA ARG 115 0.0064 15.5821 17.3800
1831 CA CYS 116 0.0039 14.1229 14.6700
1841 CA GLN 117 0.0076 16.2637 18.2000
1858 CA ASN 118 0.0286 28.4641 28.5500
1872 CA ARG 119 0.0133 19.5690 29.4100
1896 CA ASP 120 0.0168 21.6234 27.3500
1908 CA VAL 121 0.0042 14.2703 21.1300
1924 CA ARG 122 0.0061 15.3986 27.6500
1966 CA GLN 123 0.0061 15.3937 28.1900
1983 CA TYR 124 0.0026 13.3560 20.5700
2004 CA VAL 125 0.0030 13.6106 19.0400
2020 CA GLN 126 0.0088 16.9402 29.0600
2048 CA GLY 127 0.0286 28.4577 25.3300
2055 CA CYS 128 0.0073 16.0719 20.3700
2065 CA GLY 129 0.0392 34.5925 29.2900
2072 CA VAL 130 0.0071 15.9660 25.2700

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 8th, 2025.

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