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

* HYDROLASE 05-JAN-98 1JSF *

B-factor analysis for ID 2407240812061042059

Overall B-factor prediction

Correlation= 0.637 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 0.0063 15.4387 18.2500
26 CA VAL 2 0.0064 15.4818 14.6600
42 CA PHE 3 0.0032 13.4885 12.2900
62 CA GLU 4 0.0070 15.8426 16.5500
77 CA ARG 5 0.0037 13.8016 13.7000
101 CA CYS 6 0.0039 13.9346 12.4200
111 CA GLU 7 0.0041 14.0735 12.0700
126 CA LEU 8 0.0018 12.6389 10.9000
145 CA ALA 9 0.0020 12.7489 11.3600
155 CA ARG 10 0.0037 13.8531 12.2600
179 CA THR 11 0.0026 13.1383 11.6000
193 CA LEU 12 0.0017 12.5742 11.1800
212 CA LYS 13 0.0038 13.8578 11.9700
234 CA ARG 14 0.0092 17.2214 12.9600
258 CA LEU 15 0.0039 13.9799 11.7100
277 CA GLY 16 0.0046 14.4117 13.4800
284 CA MET 17 0.0021 12.8515 11.6000
301 CA ASP 18 0.0038 13.9093 14.4100
313 CA GLY 19 0.0073 16.0844 15.0500
320 CA TYR 20 0.0038 13.8696 11.9500
341 CA ARG 21 0.0070 15.8595 14.2800
365 CA GLY 22 0.0229 25.7284 12.7600
372 CA ILE 23 0.0032 13.5088 11.7700
391 CA SER 24 0.0038 13.9024 11.9700
402 CA LEU 25 0.0021 12.8217 12.2300
421 CA ALA 26 0.0024 13.0003 12.1600
431 CA ASN 27 0.0018 12.6791 11.7200
445 CA TRP 28 0.0013 12.3078 10.7700
469 CA MET 29 0.0014 12.3865 10.6100
486 CA CYS 30 0.0018 12.6396 11.4700
496 CA LEU 31 0.0015 12.4765 12.2700
515 CA ALA 32 0.0016 12.5451 11.1200
525 CA LYS 33 0.0027 13.2166 12.8800
547 CA TRP 34 0.0046 14.4024 13.4600
571 CA GLU 35 0.0025 13.0936 13.1100
586 CA SER 36 0.0030 13.3920 13.2500
597 CA GLY 37 0.0042 14.1224 14.6200
604 CA TYR 38 0.0026 13.1282 12.4100
625 CA ASN 39 0.0035 13.7240 13.0000
639 CA THR 40 0.0030 13.3706 12.6800
653 CA ARG 41 0.0058 15.1582 16.4600
677 CA ALA 42 0.0041 14.0785 15.2400
687 CA THR 43 0.0060 15.2625 16.6300
701 CA ASN 44 0.0109 18.2937 17.3600
715 CA TYR 45 0.0132 19.6934 19.2600
736 CA ASN 46 0.0156 21.1987 18.0700
750 CA ALA 47 0.0343 32.8029 23.8000
760 CA GLY 48 0.0583 47.6999 22.0700
767 CA ASP 49 0.0210 24.5399 20.3500
779 CA ARG 50 0.0137 20.0229 19.6800
803 CA SER 51 0.0060 15.2728 15.6200
814 CA THR 52 0.0040 14.0354 11.9400
828 CA ASP 53 0.0033 13.5691 12.5900
840 CA TYR 54 0.0025 13.0878 11.1000
861 CA GLY 55 0.0023 12.9622 11.2200
868 CA ILE 56 0.0018 12.6481 11.0600
887 CA PHE 57 0.0015 12.4734 11.5800
907 CA GLN 58 0.0024 13.0152 11.5900
924 CA ILE 59 0.0018 12.6393 12.6900
943 CA ASN 60 0.0029 13.3315 12.2300
957 CA SER 61 0.0026 13.1348 12.0900
968 CA ARG 62 0.0053 14.8400 16.6100
992 CA TYR 63 0.0052 14.7714 17.9700
1013 CA TRP 64 0.0025 13.1034 13.1500
1037 CA CYS 65 0.0024 13.0082 12.6000
1047 CA ASN 66 0.0046 14.3694 12.0700
1061 CA ASP 67 0.0062 15.3764 13.4200
1073 CA GLY 68 0.0270 28.2740 14.7100
1080 CA LYS 69 0.0156 21.2126 17.6000
1102 CA THR 70 0.0076 16.2740 18.0100
1116 CA PRO 71 0.0194 23.5356 23.9600
1130 CA GLY 72 0.0354 33.4989 31.9800
1137 CA ALA 73 0.0086 16.8570 26.1000
1147 CA VAL 74 0.0115 18.6513 27.9900
1163 CA ASN 75 0.0059 15.1663 17.5800
1177 CA ALA 76 0.0058 15.1532 15.8400
1187 CA CYS 77 0.0038 13.8904 15.1500
1197 CA HIS 78 0.0136 19.9469 16.7100
1214 CA LEU 79 0.0049 14.5626 16.1400
1233 CA SER 80 0.0063 15.4517 13.2300
1244 CA CYS 81 0.0030 13.3791 11.8200
1254 CA SER 82 0.0067 15.7008 13.5400
1265 CA ALA 83 0.0046 14.3980 12.5600
1275 CA LEU 84 0.0023 12.9453 12.7100
1294 CA HIS 85 0.0038 13.8648 13.5400
1311 CA GLN 86 0.0056 14.9887 14.0100
1328 CA ASP 87 0.0069 15.8127 14.6100
1340 CA ASN 88 0.0071 15.9244 17.7900
1354 CA ILE 89 0.0025 13.0653 12.7000
1373 CA ALA 90 0.0045 14.3354 11.8800
1383 CA ASP 91 0.0039 13.9418 13.0600
1395 CA ALA 92 0.0020 12.7714 12.9200
1405 CA VAL 93 0.0022 12.8741 11.5800
1421 CA ALA 94 0.0029 13.3216 14.0300
1431 CA CYS 95 0.0022 12.8880 11.4600
1441 CA ALA 96 0.0018 12.6273 11.0900
1451 CA LYS 97 0.0026 13.1601 11.6700
1473 CA ARG 98 0.0034 13.6098 12.8700
1497 CA VAL 99 0.0023 12.9700 12.3300
1513 CA VAL 100 0.0026 13.1638 12.6500
1529 CA ARG 101 0.0053 14.8064 17.7800
1553 CA ASP 102 0.0068 15.7505 18.6000
1565 CA PRO 103 0.0195 23.6267 24.3900
1579 CA GLN 104 0.0101 17.7853 21.2300
1596 CA GLY 105 0.0044 14.2663 17.9100
1603 CA ILE 106 0.0026 13.1370 17.1100
1622 CA ARG 107 0.0052 14.7385 17.1300
1646 CA ALA 108 0.0049 14.5834 21.5800
1656 CA TRP 109 0.0034 13.6220 16.7900
1680 CA VAL 110 0.0092 17.2557 20.7700
1696 CA ALA 111 0.0055 14.9264 20.0800
1706 CA TRP 112 0.0034 13.6111 14.2700
1730 CA ARG 113 0.0067 15.7118 16.4300
1754 CA ASN 114 0.0107 18.1584 17.9900
1768 CA ARG 115 0.0064 15.5216 17.3800
1792 CA CYS 116 0.0041 14.0730 14.6700
1802 CA GLN 117 0.0076 16.2439 18.2000
1819 CA ASN 118 0.0275 28.6137 28.5500
1833 CA ARG 119 0.0135 19.9159 29.4100
1857 CA ASP 120 0.0226 25.5589 27.3500
1869 CA VAL 121 0.0049 14.5586 21.1300
1885 CA ARG 122 0.0102 17.8301 27.6500
1909 CA GLN 123 0.0079 16.4071 28.1900
1926 CA TYR 124 0.0029 13.3610 20.5700
1947 CA VAL 125 0.0036 13.7814 19.0400
1963 CA GLN 126 0.0115 18.6676 29.0600
1980 CA GLY 127 0.0300 30.1399 25.3300
1987 CA CYS 128 0.0069 15.8409 20.3700
1997 CA GLY 129 0.0226 25.5767 29.2900
2004 CA VAL 130 0.0080 16.5184 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 25th, 2023.

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