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

* HYDROLASE 05-JAN-98 1JSF *

B-factor analysis for ID 2503180834193188588

Overall B-factor prediction

Correlation= 0.644 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 0.0062 15.3682 18.2500
26 CA VAL 2 0.0063 15.4387 14.6600
42 CA PHE 3 0.0032 13.4783 12.2900
62 CA GLU 4 0.0070 15.8156 16.5500
77 CA ARG 5 0.0037 13.8324 13.7000
101 CA CYS 6 0.0040 13.9871 12.4200
111 CA GLU 7 0.0042 14.1103 12.0700
126 CA LEU 8 0.0018 12.6460 10.9000
145 CA ALA 9 0.0020 12.7711 11.3600
155 CA ARG 10 0.0040 13.9875 12.2600
179 CA THR 11 0.0026 13.1506 11.6000
193 CA LEU 12 0.0017 12.5819 11.1800
212 CA GLU 13 0.0036 13.7812 11.9700
227 CA ARG 14 0.0099 17.6337 12.9600
251 CA LEU 15 0.0040 14.0056 11.7100
270 CA GLY 16 0.0049 14.5526 13.4800
277 CA MET 17 0.0022 12.8723 11.6000
294 CA ASP 18 0.0037 13.8429 14.4100
306 CA GLY 19 0.0075 16.1432 15.0500
313 CA TYR 20 0.0038 13.8885 11.9500
334 CA ARG 21 0.0070 15.8451 14.2800
358 CA GLY 22 0.0228 25.5373 12.7600
365 CA ILE 23 0.0032 13.5220 11.7700
384 CA SER 24 0.0039 13.9544 11.9700
395 CA LEU 25 0.0021 12.8389 12.2300
414 CA ALA 26 0.0024 13.0042 12.1600
424 CA ASN 27 0.0019 12.6797 11.7200
438 CA TRP 28 0.0013 12.3182 10.7700
462 CA MET 29 0.0014 12.3903 10.6100
479 CA CYS 30 0.0018 12.6376 11.4700
489 CA LEU 31 0.0015 12.4799 12.2700
508 CA ALA 32 0.0016 12.5467 11.1200
518 CA LYS 33 0.0027 13.2119 12.8800
540 CA TRP 34 0.0047 14.4223 13.4600
564 CA GLU 35 0.0025 13.0905 13.1100
579 CA SER 36 0.0030 13.3797 13.2500
590 CA GLY 37 0.0042 14.1134 14.6200
597 CA TYR 38 0.0026 13.1236 12.4100
618 CA ASN 39 0.0035 13.6756 13.0000
632 CA THR 40 0.0029 13.3404 12.6800
646 CA ARG 41 0.0054 14.8529 16.4600
670 CA ALA 42 0.0040 14.0261 15.2400
680 CA THR 43 0.0059 15.1415 16.6300
694 CA ASN 44 0.0109 18.2571 17.3600
708 CA TYR 45 0.0131 19.6028 19.2600
729 CA ASN 46 0.0156 21.0878 18.0700
743 CA ALA 47 0.0343 32.5814 23.8000
753 CA GLY 48 0.0583 47.3369 22.0700
760 CA ASP 49 0.0210 24.4087 20.3500
772 CA ARG 50 0.0137 19.9520 19.6800
796 CA SER 51 0.0060 15.2475 15.6200
807 CA THR 52 0.0041 14.0447 11.9400
821 CA ASP 53 0.0033 13.5739 12.5900
833 CA TYR 54 0.0025 13.0572 11.1000
854 CA GLY 55 0.0023 12.9574 11.2200
861 CA ILE 56 0.0018 12.6415 11.0600
880 CA PHE 57 0.0015 12.4748 11.5800
900 CA GLN 58 0.0024 13.0083 11.5900
917 CA ILE 59 0.0018 12.6368 12.6900
936 CA ASN 60 0.0029 13.3292 12.2300
950 CA SER 61 0.0026 13.1373 12.0900
961 CA ARG 62 0.0053 14.8154 16.6100
985 CA TYR 63 0.0052 14.7473 17.9700
1006 CA TRP 64 0.0025 13.0940 13.1500
1030 CA CYS 65 0.0024 13.0033 12.6000
1040 CA ASN 66 0.0045 14.3250 12.0700
1054 CA ASP 67 0.0063 15.4092 13.4200
1066 CA GLY 68 0.0270 28.0959 14.7100
1073 CA LYS 69 0.0157 21.1845 17.6000
1095 CA THR 70 0.0076 16.2364 18.0100
1109 CA PRO 71 0.0193 23.4134 23.9600
1123 CA GLY 72 0.0354 33.2798 31.9800
1130 CA ALA 73 0.0086 16.8074 26.1000
1140 CA VAL 74 0.0115 18.5807 27.9900
1156 CA ASN 75 0.0058 15.1307 17.5800
1170 CA ALA 76 0.0058 15.1028 15.8400
1180 CA CYS 77 0.0038 13.8631 15.1500
1190 CA HIS 78 0.0135 19.8316 16.7100
1207 CA LEU 79 0.0049 14.5203 16.1400
1226 CA SER 80 0.0062 15.3713 13.2300
1237 CA CYS 81 0.0030 13.3554 11.8200
1247 CA SER 82 0.0065 15.5134 13.5400
1258 CA ALA 83 0.0045 14.3337 12.5600
1268 CA LEU 84 0.0022 12.9223 12.7100
1287 CA LEU 85 0.0039 13.9433 13.5400
1306 CA GLN 86 0.0054 14.8508 14.0100
1323 CA ASP 87 0.0069 15.7800 14.6100
1335 CA ASN 88 0.0070 15.8595 17.7900
1349 CA ILE 89 0.0025 13.0573 12.7000
1368 CA ALA 90 0.0045 14.3149 11.8800
1378 CA ASP 91 0.0039 13.9215 13.0600
1390 CA ALA 92 0.0020 12.7632 12.9200
1400 CA VAL 93 0.0022 12.8771 11.5800
1416 CA ALA 94 0.0029 13.3129 14.0300
1426 CA CYS 95 0.0022 12.8836 11.4600
1436 CA ALA 96 0.0018 12.6219 11.0900
1446 CA LYS 97 0.0026 13.1541 11.6700
1468 CA ARG 98 0.0033 13.5978 12.8700
1492 CA VAL 99 0.0023 12.9638 12.3300
1508 CA VAL 100 0.0026 13.1590 12.6500
1524 CA ARG 101 0.0053 14.7784 17.7800
1548 CA ASP 102 0.0068 15.7191 18.6000
1560 CA PRO 103 0.0195 23.5196 24.3900
1574 CA GLN 104 0.0101 17.7416 21.2300
1591 CA GLY 105 0.0044 14.2675 17.9100
1598 CA ILE 106 0.0026 13.1426 17.1100
1617 CA ARG 107 0.0052 14.7424 17.1300
1641 CA ALA 108 0.0050 14.5813 21.5800
1651 CA TRP 109 0.0034 13.6204 16.7900
1675 CA VAL 110 0.0093 17.2245 20.7700
1691 CA ALA 111 0.0055 14.9037 20.0800
1701 CA TRP 112 0.0034 13.6042 14.2700
1725 CA ARG 113 0.0068 15.6859 16.4300
1749 CA ASN 114 0.0107 18.1356 17.9900
1763 CA ARG 115 0.0065 15.5037 17.3800
1787 CA CYS 116 0.0041 14.0646 14.6700
1797 CA GLN 117 0.0076 16.2202 18.2000
1814 CA ASN 118 0.0276 28.5003 28.5500
1828 CA ARG 119 0.0137 19.9251 29.4100
1852 CA ASP 120 0.0226 25.4275 27.3500
1864 CA VAL 121 0.0049 14.5460 21.1300
1880 CA ARG 122 0.0103 17.8532 27.6500
1904 CA GLN 123 0.0079 16.4073 28.1900
1921 CA TYR 124 0.0030 13.3545 20.5700
1942 CA VAL 125 0.0037 13.8148 19.0400
1958 CA GLN 126 0.0116 18.6648 29.0600
1975 CA GLY 127 0.0303 30.1363 25.3300
1982 CA CYS 128 0.0073 16.0236 20.3700
1992 CA GLY 129 0.0272 28.2159 29.2900
1999 CA VAL 130 0.0089 17.0221 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.