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

* HYDROLASE 05-JAN-98 1JSF *

B-factor analysis for ID 2503181127113232112

Overall B-factor prediction

Correlation= 0.593 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 15.0946 18.2500
26 CA VAL 2 0.0058 15.2653 14.6600
42 CA PHE 3 0.0030 13.6016 12.2900
62 CA GLU 4 0.0068 15.8726 16.5500
77 CA ARG 5 0.0034 13.8171 13.7000
101 CA CYS 6 0.0035 13.9181 12.4200
111 CA GLU 7 0.0038 14.0474 12.0700
126 CA LEU 8 0.0017 12.7750 10.9000
145 CA ALA 9 0.0017 12.7878 11.3600
155 CA ARG 10 0.0031 13.6565 12.2600
179 CA THR 11 0.0024 13.2165 11.6000
193 CA LEU 12 0.0015 12.6885 11.1800
212 CA LYS 13 0.0031 13.6500 11.9700
234 CA ARG 14 0.0080 16.6368 12.9600
276 CA LEU 15 0.0035 13.8862 11.7100
295 CA GLY 16 0.0039 14.1141 13.4800
302 CA MET 17 0.0019 12.8985 11.6000
319 CA ASP 18 0.0031 13.6714 14.4100
331 CA GLY 19 0.0075 16.3338 15.0500
338 CA TYR 20 0.0037 14.0086 11.9500
359 CA ARG 21 0.0072 16.1448 14.2800
383 CA GLY 22 0.0262 27.6526 12.7600
390 CA ILE 23 0.0030 13.5662 11.7700
409 CA SER 24 0.0029 13.5083 11.9700
420 CA LEU 25 0.0019 12.9428 12.2300
452 CA ALA 26 0.0021 13.0417 12.1600
462 CA ASN 27 0.0017 12.7858 11.7200
476 CA TRP 28 0.0012 12.5028 10.7700
500 CA MET 29 0.0013 12.5394 10.6100
517 CA CYS 30 0.0017 12.8125 11.4700
527 CA LEU 31 0.0015 12.6995 12.2700
546 CA ALA 32 0.0016 12.7560 11.1200
556 CA LYS 33 0.0027 13.4345 12.8800
578 CA TRP 34 0.0049 14.7337 13.4600
602 CA GLU 35 0.0026 13.3251 13.1100
617 CA SER 36 0.0029 13.5439 13.2500
628 CA GLY 37 0.0042 14.3243 14.6200
635 CA TYR 38 0.0025 13.2831 12.4100
656 CA ASN 39 0.0035 13.8873 13.0000
670 CA THR 40 0.0027 13.4023 12.6800
684 CA ARG 41 0.0053 15.0109 16.4600
726 CA ALA 42 0.0038 14.0818 15.2400
736 CA THR 43 0.0055 15.0786 16.6300
750 CA ASN 44 0.0099 17.7462 17.3600
764 CA TYR 45 0.0124 19.2721 19.2600
785 CA ASN 46 0.0153 21.0084 18.0700
799 CA ALA 47 0.0332 31.8743 23.8000
809 CA GLY 48 0.0627 49.6969 22.0700
816 CA ASP 49 0.0215 24.7619 20.3500
828 CA ARG 50 0.0137 20.0902 19.6800
852 CA SER 51 0.0060 15.3910 15.6200
863 CA THR 52 0.0039 14.1191 11.9400
877 CA ASP 53 0.0032 13.6845 12.5900
889 CA TYR 54 0.0024 13.1983 11.1000
910 CA GLY 55 0.0021 13.0415 11.2200
917 CA ILE 56 0.0017 12.8130 11.0600
936 CA PHE 57 0.0015 12.6683 11.5800
956 CA GLN 58 0.0023 13.1474 11.5900
973 CA ILE 59 0.0017 12.8206 12.6900
992 CA ASN 60 0.0029 13.5131 12.2300
1006 CA SER 61 0.0026 13.3301 12.0900
1017 CA ARG 62 0.0056 15.1452 16.6100
1041 CA TYR 63 0.0054 15.0527 17.9700
1062 CA TRP 64 0.0025 13.3093 13.1500
1086 CA CYS 65 0.0024 13.2141 12.6000
1096 CA ASN 66 0.0046 14.5844 12.0700
1110 CA ASP 67 0.0064 15.6231 13.4200
1122 CA GLY 68 0.0271 28.1788 14.7100
1129 CA LYS 69 0.0153 21.0581 17.6000
1151 CA THR 70 0.0076 16.4033 18.0100
1165 CA PRO 71 0.0202 24.0292 23.9600
1179 CA GLY 72 0.0360 33.5379 31.9800
1186 CA ALA 73 0.0086 17.0091 26.1000
1196 CA VAL 74 0.0118 18.9025 27.9900
1212 CA ASN 75 0.0057 15.2185 17.5800
1226 CA ALA 76 0.0059 15.3649 15.8400
1236 CA CYS 77 0.0038 14.0834 15.1500
1246 CA HIS 78 0.0130 19.6698 16.7100
1263 CA LEU 79 0.0047 14.6418 16.1400
1282 CA SER 80 0.0064 15.6372 13.2300
1293 CA CYS 81 0.0029 13.5127 11.8200
1303 CA SER 82 0.0060 15.4178 13.5400
1319 CA ALA 83 0.0044 14.4431 12.5600
1329 CA LEU 84 0.0021 13.0720 12.7100
1348 CA LEU 85 0.0036 13.9814 13.5400
1367 CA GLN 86 0.0050 14.7927 14.0100
1384 CA ASP 87 0.0061 15.4907 14.6100
1396 CA ASN 88 0.0069 15.9424 17.7900
1410 CA ILE 89 0.0023 13.1843 12.7000
1429 CA ALA 90 0.0045 14.4836 11.8800
1439 CA ASP 91 0.0038 14.0874 13.0600
1451 CA ALA 92 0.0019 12.9481 12.9200
1461 CA VAL 93 0.0021 13.0306 11.5800
1477 CA ALA 94 0.0029 13.5097 14.0300
1487 CA CYS 95 0.0022 13.0839 11.4600
1497 CA ALA 96 0.0017 12.8202 11.0900
1507 CA LYS 97 0.0026 13.3270 11.6700
1529 CA ARG 98 0.0034 13.8220 12.8700
1553 CA VAL 99 0.0023 13.1544 12.3300
1569 CA VAL 100 0.0027 13.3883 12.6500
1585 CA ARG 101 0.0053 15.0078 17.7800
1609 CA ASP 102 0.0070 16.0345 18.6000
1621 CA PRO 103 0.0219 25.0506 24.3900
1635 CA GLN 104 0.0104 18.0826 21.2300
1652 CA GLY 105 0.0044 14.4367 17.9100
1659 CA ILE 106 0.0025 13.3019 17.1100
1678 CA ARG 107 0.0052 14.9064 17.1300
1702 CA ALA 108 0.0049 14.7194 21.5800
1712 CA TRP 109 0.0033 13.7681 16.7900
1736 CA VAL 110 0.0091 17.2517 20.7700
1752 CA ALA 111 0.0054 15.0551 20.0800
1762 CA TRP 112 0.0034 13.8087 14.2700
1786 CA ARG 113 0.0069 15.9357 16.4300
1810 CA ASN 114 0.0109 18.3415 17.9900
1824 CA ARG 115 0.0067 15.8171 17.3800
1848 CA CYS 116 0.0039 14.1591 14.6700
1858 CA GLN 117 0.0078 16.4821 18.2000
1875 CA ASN 118 0.0288 29.2256 28.5500
1889 CA ARG 119 0.0133 19.8452 29.4100
1913 CA ASP 120 0.0167 21.8798 27.3500
1925 CA VAL 121 0.0042 14.2949 21.1300
1941 CA ARG 122 0.0061 15.4580 27.6500
1983 CA GLN 123 0.0061 15.4460 28.1900
2000 CA TYR 124 0.0026 13.3278 20.5700
2021 CA VAL 125 0.0029 13.5476 19.0400
2037 CA GLN 126 0.0086 16.9528 29.0600
2065 CA GLY 127 0.0258 27.4041 25.3300
2072 CA CYS 128 0.0060 15.3913 20.3700
2082 CA GLY 129 0.0222 25.2105 29.2900
2089 CA VAL 130 0.0057 15.2267 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.