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

* HYDROLASE 05-JAN-98 1JSF *

B-factor analysis for ID 2503181117093228490

Overall B-factor prediction

Correlation= 0.595 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 15.0917 18.2500
26 CA VAL 2 0.0058 15.2648 14.6600
42 CA PHE 3 0.0030 13.5942 12.2900
62 CA GLU 4 0.0068 15.8736 16.5500
77 CA ARG 5 0.0034 13.8107 13.7000
101 CA CYS 6 0.0035 13.9114 12.4200
111 CA GLU 7 0.0038 14.0413 12.0700
126 CA LEU 8 0.0017 12.7636 10.9000
145 CA ALA 9 0.0017 12.7762 11.3600
155 CA ARG 10 0.0031 13.6487 12.2600
179 CA THR 11 0.0024 13.2076 11.6000
193 CA LEU 12 0.0015 12.6750 11.1800
212 CA LYS 13 0.0031 13.6434 11.9700
234 CA ARG 14 0.0080 16.6405 12.9600
276 CA LEU 15 0.0035 13.8814 11.7100
295 CA GLY 16 0.0039 14.1009 13.4800
302 CA MET 17 0.0019 12.8863 11.6000
319 CA ASP 18 0.0031 13.6671 14.4100
331 CA GLY 19 0.0075 16.3386 15.0500
338 CA TYR 20 0.0037 14.0012 11.9500
359 CA ARG 21 0.0072 16.1590 14.2800
383 CA GLY 22 0.0263 27.7139 12.7600
390 CA ILE 23 0.0030 13.5584 11.7700
409 CA SER 24 0.0029 13.4995 11.9700
420 CA LEU 25 0.0019 12.9327 12.2300
452 CA ALA 26 0.0021 13.0318 12.1600
462 CA ASN 27 0.0017 12.7744 11.7200
476 CA TRP 28 0.0012 12.4891 10.7700
500 CA MET 29 0.0013 12.5268 10.6100
517 CA CYS 30 0.0017 12.8015 11.4700
527 CA LEU 31 0.0015 12.6869 12.2700
546 CA ALA 32 0.0016 12.7429 11.1200
556 CA LYS 33 0.0027 13.4263 12.8800
578 CA TRP 34 0.0049 14.7335 13.4600
602 CA GLU 35 0.0026 13.3113 13.1100
617 CA SER 36 0.0029 13.5317 13.2500
628 CA GLY 37 0.0042 14.3219 14.6200
635 CA TYR 38 0.0025 13.2744 12.4100
656 CA ASN 39 0.0035 13.8810 13.0000
670 CA THR 40 0.0027 13.3925 12.6800
684 CA ARG 41 0.0054 15.0161 16.4600
726 CA ALA 42 0.0038 14.0758 15.2400
736 CA THR 43 0.0055 15.0909 16.6300
750 CA ASN 44 0.0099 17.7592 17.3600
764 CA TYR 45 0.0124 19.2828 19.2600
785 CA ASN 46 0.0153 21.0629 18.0700
799 CA ALA 47 0.0329 31.7333 23.8000
809 CA GLY 48 0.0622 49.5450 22.0700
816 CA ASP 49 0.0216 24.8674 20.3500
828 CA ARG 50 0.0138 20.1553 19.6800
852 CA SER 51 0.0061 15.4816 15.6200
863 CA THR 52 0.0039 14.1236 11.9400
877 CA ASP 53 0.0031 13.6648 12.5900
889 CA TYR 54 0.0023 13.1789 11.1000
910 CA GLY 55 0.0021 13.0292 11.2200
917 CA ILE 56 0.0017 12.8005 11.0600
936 CA PHE 57 0.0015 12.6550 11.5800
956 CA GLN 58 0.0023 13.1355 11.5900
973 CA ILE 59 0.0017 12.8055 12.6900
992 CA ASN 60 0.0028 13.4858 12.2300
1006 CA ASN 61 0.0026 13.3217 12.0900
1020 CA ARG 62 0.0055 15.0957 16.6100
1044 CA TYR 63 0.0054 15.0337 17.9700
1065 CA TRP 64 0.0025 13.2927 13.1500
1089 CA CYS 65 0.0024 13.2041 12.6000
1099 CA ASN 66 0.0046 14.5705 12.0700
1113 CA ASP 67 0.0064 15.6474 13.4200
1125 CA GLY 68 0.0266 27.9456 14.7100
1132 CA LYS 69 0.0157 21.2851 17.6000
1154 CA THR 70 0.0079 16.5506 18.0100
1168 CA PRO 71 0.0210 24.5291 23.9600
1182 CA GLY 72 0.0357 33.4255 31.9800
1189 CA ALA 73 0.0085 16.9279 26.1000
1199 CA VAL 74 0.0117 18.8511 27.9900
1215 CA ASN 75 0.0056 15.1828 17.5800
1229 CA ALA 76 0.0059 15.3662 15.8400
1239 CA CYS 77 0.0038 14.0700 15.1500
1249 CA HIS 78 0.0130 19.6633 16.7100
1266 CA LEU 79 0.0047 14.6267 16.1400
1285 CA SER 80 0.0063 15.6065 13.2300
1296 CA CYS 81 0.0029 13.5014 11.8200
1306 CA SER 82 0.0061 15.4378 13.5400
1322 CA ALA 83 0.0044 14.4362 12.5600
1332 CA LEU 84 0.0021 13.0608 12.7100
1351 CA LEU 85 0.0037 13.9761 13.5400
1370 CA GLN 86 0.0050 14.7875 14.0100
1387 CA ASP 87 0.0061 15.4889 14.6100
1399 CA ASN 88 0.0069 15.9230 17.7900
1413 CA ILE 89 0.0023 13.1741 12.7000
1432 CA ALA 90 0.0045 14.4834 11.8800
1442 CA ASP 91 0.0038 14.0789 13.0600
1454 CA ALA 92 0.0019 12.9352 12.9200
1464 CA VAL 93 0.0021 13.0190 11.5800
1480 CA ALA 94 0.0029 13.4966 14.0300
1490 CA CYS 95 0.0022 13.0676 11.4600
1500 CA ALA 96 0.0017 12.8074 11.0900
1510 CA LYS 97 0.0026 13.3192 11.6700
1532 CA ARG 98 0.0034 13.8075 12.8700
1556 CA VAL 99 0.0023 13.1438 12.3300
1572 CA VAL 100 0.0027 13.3783 12.6500
1588 CA ARG 101 0.0053 15.0041 17.7800
1612 CA ASP 102 0.0070 16.0323 18.6000
1624 CA PRO 103 0.0219 25.0887 24.3900
1638 CA GLN 104 0.0104 18.0824 21.2300
1655 CA GLY 105 0.0044 14.4323 17.9100
1662 CA ILE 106 0.0025 13.2930 17.1100
1681 CA ARG 107 0.0052 14.9042 17.1300
1705 CA ALA 108 0.0049 14.7139 21.5800
1715 CA TRP 109 0.0033 13.7568 16.7900
1739 CA VAL 110 0.0091 17.2587 20.7700
1755 CA ALA 111 0.0054 15.0538 20.0800
1765 CA TRP 112 0.0034 13.8016 14.2700
1789 CA ARG 113 0.0069 15.9372 16.4300
1813 CA ASN 114 0.0109 18.3514 17.9900
1827 CA ARG 115 0.0067 15.8192 17.3800
1851 CA CYS 116 0.0039 14.1547 14.6700
1861 CA GLN 117 0.0078 16.4868 18.2000
1878 CA ASN 118 0.0288 29.2808 28.5500
1892 CA ARG 119 0.0133 19.8653 29.4100
1916 CA ASP 120 0.0167 21.9290 27.3500
1928 CA VAL 121 0.0042 14.2910 21.1300
1944 CA ARG 122 0.0061 15.4588 27.6500
1986 CA GLN 123 0.0061 15.4470 28.1900
2003 CA TYR 124 0.0026 13.3196 20.5700
2024 CA VAL 125 0.0029 13.5402 19.0400
2040 CA GLN 126 0.0086 16.9603 29.0600
2068 CA GLY 127 0.0259 27.4725 25.3300
2075 CA CYS 128 0.0060 15.3938 20.3700
2085 CA GLY 129 0.0222 25.2642 29.2900
2092 CA VAL 130 0.0057 15.2303 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.