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

* HYDROLASE 05-JAN-98 1JSF *

B-factor analysis for ID 2503181239143263896

Overall B-factor prediction

Correlation= 0.598 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 15.1348 18.2500
26 CA VAL 2 0.0058 15.3006 14.6600
42 CA PHE 3 0.0030 13.5915 12.2900
62 CA GLU 4 0.0068 15.9207 16.5500
77 CA ARG 5 0.0034 13.8136 13.7000
101 CA CYS 6 0.0036 13.9162 12.4200
111 CA GLU 7 0.0038 14.0436 12.0700
126 CA LEU 8 0.0017 12.7388 10.9000
145 CA ALA 9 0.0017 12.7512 11.3600
155 CA ARG 10 0.0031 13.6469 12.2600
179 CA THR 11 0.0024 13.1950 11.6000
193 CA LEU 12 0.0015 12.6485 11.1800
212 CA LYS 13 0.0031 13.6364 11.9700
234 CA ARG 14 0.0081 16.7240 12.9600
276 CA LEU 15 0.0035 13.8739 11.7100
295 CA GLY 16 0.0039 14.1178 13.4800
302 CA MET 17 0.0019 12.8599 11.6000
319 CA ASP 18 0.0032 13.6705 14.4100
331 CA GLY 19 0.0075 16.3735 15.0500
338 CA TYR 20 0.0037 14.0105 11.9500
359 CA ARG 21 0.0073 16.2084 14.2800
383 CA GLY 22 0.0262 27.9889 12.7600
390 CA ILE 23 0.0030 13.5517 11.7700
409 CA SER 24 0.0029 13.4921 11.9700
420 CA LEU 25 0.0019 12.9099 12.2300
452 CA ALA 26 0.0021 13.0132 12.1600
462 CA ASN 27 0.0017 12.7485 11.7200
476 CA TRP 28 0.0012 12.4571 10.7700
500 CA MET 29 0.0013 12.4970 10.6100
517 CA CYS 30 0.0017 12.7795 11.4700
527 CA LEU 31 0.0015 12.6576 12.2700
546 CA ALA 32 0.0016 12.7162 11.1200
556 CA LYS 33 0.0027 13.4154 12.8800
578 CA TRP 34 0.0049 14.7536 13.4600
602 CA GLU 35 0.0025 13.2894 13.1100
617 CA SER 36 0.0029 13.5267 13.2500
628 CA GLY 37 0.0042 14.3401 14.6200
635 CA TYR 38 0.0025 13.2635 12.4100
656 CA ASN 39 0.0035 13.8785 13.0000
670 CA THR 40 0.0027 13.3815 12.6800
684 CA ARG 41 0.0053 15.0196 16.4600
726 CA ALA 42 0.0038 14.0471 15.2400
736 CA THR 43 0.0054 15.0639 16.6300
750 CA ASN 44 0.0096 17.6533 17.3600
764 CA TYR 45 0.0118 19.0529 19.2600
785 CA ASN 46 0.0145 20.7049 18.0700
799 CA ALA 47 0.0309 30.9033 23.8000
809 CA GLY 48 0.0604 49.2125 22.0700
816 CA ASP 49 0.0212 24.8467 20.3500
828 CA ARG 50 0.0129 19.7087 19.6800
852 CA SER 51 0.0057 15.2707 15.6200
863 CA THR 52 0.0037 14.0339 11.9400
877 CA ASP 53 0.0030 13.5977 12.5900
889 CA TYR 54 0.0023 13.1307 11.1000
910 CA GLY 55 0.0021 13.0002 11.2200
917 CA ILE 56 0.0017 12.7765 11.0600
936 CA PHE 57 0.0015 12.6256 11.5800
956 CA GLN 58 0.0023 13.1065 11.5900
973 CA ILE 59 0.0017 12.7712 12.6900
992 CA ASN 60 0.0028 13.4226 12.2300
1006 CA ARG 61 0.0028 13.4441 12.0900
1030 CA ARG 62 0.0054 15.0406 16.6100
1054 CA TYR 63 0.0054 15.0364 17.9700
1075 CA TRP 64 0.0025 13.2598 13.1500
1099 CA CYS 65 0.0023 13.1564 12.6000
1109 CA ASN 66 0.0045 14.4962 12.0700
1123 CA ASP 67 0.0064 15.6886 13.4200
1135 CA GLY 68 0.0272 28.6108 14.7100
1142 CA LYS 69 0.0153 21.1944 17.6000
1164 CA THR 70 0.0075 16.3415 18.0100
1178 CA PRO 71 0.0205 24.4213 23.9600
1192 CA GLY 72 0.0349 33.3368 31.9800
1199 CA ALA 73 0.0086 17.0322 26.1000
1209 CA VAL 74 0.0115 18.8304 27.9900
1225 CA ASN 75 0.0056 15.2021 17.5800
1239 CA ALA 76 0.0059 15.3886 15.8400
1249 CA CYS 77 0.0038 14.0759 15.1500
1259 CA HIS 78 0.0130 19.7541 16.7100
1276 CA LEU 79 0.0047 14.6548 16.1400
1295 CA SER 80 0.0062 15.5431 13.2300
1306 CA CYS 81 0.0028 13.4536 11.8200
1316 CA SER 82 0.0060 15.4429 13.5400
1332 CA ALA 83 0.0044 14.4351 12.5600
1342 CA LEU 84 0.0021 13.0354 12.7100
1361 CA LEU 85 0.0036 13.9645 13.5400
1380 CA GLN 86 0.0050 14.8106 14.0100
1397 CA ASP 87 0.0062 15.5330 14.6100
1409 CA ASN 88 0.0069 15.9848 17.7900
1423 CA ILE 89 0.0023 13.1605 12.7000
1442 CA ALA 90 0.0045 14.4782 11.8800
1452 CA ASP 91 0.0038 14.0591 13.0600
1464 CA ALA 92 0.0019 12.9104 12.9200
1474 CA VAL 93 0.0021 13.0005 11.5800
1490 CA ALA 94 0.0028 13.4752 14.0300
1500 CA CYS 95 0.0022 13.0447 11.4600
1510 CA ALA 96 0.0017 12.7824 11.0900
1520 CA LYS 97 0.0026 13.3049 11.6700
1542 CA ARG 98 0.0034 13.8145 12.8700
1566 CA VAL 99 0.0023 13.1218 12.3300
1582 CA VAL 100 0.0027 13.3670 12.6500
1598 CA ARG 101 0.0053 15.0233 17.7800
1622 CA ASP 102 0.0071 16.0974 18.6000
1634 CA PRO 103 0.0220 25.3498 24.3900
1648 CA GLN 104 0.0105 18.2000 21.2300
1665 CA GLY 105 0.0044 14.4469 17.9100
1672 CA ILE 106 0.0025 13.2771 17.1100
1691 CA ARG 107 0.0052 14.9341 17.1300
1715 CA ALA 108 0.0049 14.7301 21.5800
1725 CA TRP 109 0.0033 13.7594 16.7900
1749 CA VAL 110 0.0091 17.3506 20.7700
1765 CA ALA 111 0.0054 15.0896 20.0800
1775 CA TRP 112 0.0034 13.8047 14.2700
1799 CA ARG 113 0.0069 15.9981 16.4300
1823 CA ASN 114 0.0109 18.4791 17.9900
1837 CA ARG 115 0.0067 15.8952 17.3800
1861 CA CYS 116 0.0040 14.1692 14.6700
1871 CA GLN 117 0.0078 16.5768 18.2000
1888 CA ASN 118 0.0289 29.6548 28.5500
1902 CA ARG 119 0.0135 20.0614 29.4100
1926 CA ASP 120 0.0168 22.1184 27.3500
1938 CA VAL 121 0.0042 14.3044 21.1300
1954 CA ARG 122 0.0061 15.4958 27.6500
1996 CA GLN 123 0.0061 15.4889 28.1900
2013 CA TYR 124 0.0026 13.3126 20.5700
2034 CA VAL 125 0.0029 13.5356 19.0400
2050 CA GLN 126 0.0086 17.0416 29.0600
2078 CA GLY 127 0.0259 27.7671 25.3300
2085 CA CYS 128 0.0060 15.4287 20.3700
2095 CA GLY 129 0.0224 25.5904 29.2900
2102 CA VAL 130 0.0057 15.2464 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.