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B-factor analysis for ID 2404032043392226964

Overall B-factor prediction

Correlation= 0.578 for 133 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 ALA 1001 0.0487 55.2074 43.7000
14 CA SER 1002 0.0301 38.7682 37.8600
25 CA GLY 1003 0.0069 18.1276 23.1300
32 CA LEU 1004 0.0050 16.5057 17.5700
51 CA VAL 1005 0.0064 17.6912 15.5700
67 CA ALA 1006 0.0051 16.5569 16.1100
77 CA SER 1007 0.0095 20.4643 19.2000
88 CA ASN 1008 0.0183 28.2532 22.4300
102 CA LEU 1009 0.0039 15.5251 23.0800
121 CA ASN 1010 0.0080 19.1419 26.0900
135 CA LEU 1011 0.0031 14.8128 24.1400
154 CA LYS 1012 0.0059 17.2263 24.7000
176 CA PRO 1013 0.0057 17.1182 24.5100
190 CA GLY 1014 0.0140 24.4433 23.3400
197 CA GLU 1015 0.0072 18.4561 23.5800
212 CA LEU 1017 0.0019 13.6888 15.9900
231 CA ARG 1018 0.0034 15.0620 13.9900
255 CA VAL 1019 0.0017 13.5670 12.5100
271 CA ARG 1020 0.0030 14.6836 14.6800
295 CA GLY 1021 0.0029 14.6291 15.3300
302 CA GLU 1022 0.0044 15.9435 19.0600
317 CA VAL 1023 0.0030 14.6674 19.1600
333 CA ALA 1024 0.0062 17.5483 22.0200
343 CA PRO 1025 0.0188 28.7166 27.4900
357 CA ASP 1026 0.0193 29.1866 29.9200
369 CA ALA 1027 0.0049 16.3702 23.7600
379 CA LYS 1028 0.0058 17.2129 20.4300
401 CA SER 1029 0.0028 14.5529 17.5500
412 CA PHE 1030 0.0016 13.4576 12.3200
432 CA VAL 1031 0.0017 13.5148 10.9000
448 CA LEU 1032 0.0012 13.0651 10.4100
467 CA ASN 1033 0.0016 13.4618 11.5300
481 CA LEU 1034 0.0011 12.9731 11.6000
500 CA GLY 1035 0.0015 13.3839 13.9500
507 CA LYS 1036 0.0035 15.1698 19.6000
529 CA ASP 1037 0.0046 16.1418 20.7800
541 CA SER 1038 0.0060 17.3554 20.0100
552 CA ASN 1039 0.0063 17.6478 20.6600
566 CA ASN 1040 0.0032 14.9111 16.1400
580 CA LEU 1041 0.0016 13.4731 12.9600
599 CA CYS 1042 0.0012 13.1068 12.4300
610 CA LEU 1043 0.0010 12.9059 10.5600
629 CA HIS 1044 0.0015 13.3666 10.5600
646 CA PHE 1045 0.0010 12.9472 10.5000
666 CA ASN 1046 0.0015 13.3703 10.1300
680 CA PRO 1047 0.0012 13.1378 11.2000
694 CA ARG 1048 0.0025 14.2421 12.6200
718 CA PHE 1049 0.0031 14.7910 14.0300
738 CA ASN 1050 0.0080 19.1070 17.6000
752 CA ALA 1051 0.0081 19.2395 20.2000
762 CA HIS 1052 0.0278 36.6777 23.7600
779 CA GLY 1053 0.0434 50.5591 22.1000
786 CA ASP 1054 0.0069 18.1193 16.5400
798 CA ALA 1055 0.0089 19.9657 14.1400
808 CA ASN 1056 0.0048 16.3139 10.8800
822 CA THR 1057 0.0028 14.5503 10.5000
836 CA ILE 1058 0.0017 13.5331 8.2700
855 CA VAL 1059 0.0019 13.7371 10.3400
871 CA CYS 1060 0.0017 13.5400 10.3400
882 CA ASN 1061 0.0021 13.9370 11.0300
896 CA SER 1062 0.0021 13.9287 12.4000
907 CA LYS 1063 0.0032 14.8885 16.9100
929 CA ASP 1064 0.0054 16.8222 21.5300
941 CA ASP 1065 0.0117 22.4352 24.1300
953 CA GLY 1066 0.0097 20.6503 20.2700
960 CA ALA 1067 0.0168 26.8942 19.5600
970 CA TRP 1068 0.0074 18.6267 17.2500
994 CA GLY 1069 0.0065 17.7962 16.4500
1001 CA THR 1070 0.0133 23.8654 15.0000
1015 CA GLU 1071 0.0046 16.1190 12.3300
1030 CA GLN 1072 0.0032 14.8413 10.9000
1047 CA ARG 1073 0.0042 15.7205 9.1000
1071 CA GLU 1074 0.0029 14.6011 8.4800
1086 CA ALA 1075 0.0170 27.0736 9.1800
1096 CA VAL 1076 0.0053 16.6948 8.8400
1112 CA PHE 1077 0.0029 14.6250 8.6100
1132 CA PRO 1078 0.0036 15.2481 11.8000
1146 CA PHE 1079 0.0020 13.7911 15.0100
1166 CA GLN 1080 0.0049 16.3926 22.0300
1183 CA PRO 1081 0.0061 17.4494 23.2700
1197 CA GLY 1082 0.0100 20.8740 23.7700
1204 CA SER 1083 0.0067 18.0139 23.0900
1215 CA VAL 1084 0.0058 17.2158 19.7200
1231 CA ALA 1085 0.0026 14.3790 16.6900
1241 CA GLU 1086 0.0026 14.3054 14.3500
1256 CA VAL 1087 0.0015 13.3200 15.1600
1272 CA CYS 1088 0.0024 14.1821 14.7100
1283 CA ILE 1089 0.0013 13.2236 13.7200
1302 CA THR 1090 0.0028 14.5097 17.3900
1316 CA PHE 1091 0.0026 14.3320 22.1100
1336 CA ASP 1092 0.0043 15.8797 27.7000
1348 CA GLN 1093 0.0057 17.1147 28.2100
1365 CA ALA 1094 0.0080 19.0961 23.5100
1375 CA ASN 1095 0.0032 14.8505 20.4900
1389 CA LEU 1096 0.0015 13.3470 14.1100
1408 CA THR 1097 0.0025 14.2781 12.0200
1422 CA VAL 1098 0.0016 13.4840 10.8600
1438 CA LYS 1099 0.0027 14.4429 10.5700
1460 CA LEU 1100 0.0023 14.0751 10.7200
1479 CA PRO 1101 0.0037 15.3456 13.3200
1493 CA ASP 1102 0.0146 25.0076 12.3000
1505 CA GLY 1103 0.0172 27.2886 12.3500
1512 CA TYR 1104 0.0055 16.8908 10.8600
1533 CA GLU 1105 0.0048 16.2913 13.1800
1548 CA PHE 1106 0.0028 14.4786 10.0000
1568 CA LYS 1107 0.0037 15.2765 11.4100
1590 CA PHE 1108 0.0019 13.7401 12.1400
1610 CA PRO 1109 0.0033 14.9458 15.2400
1624 CA ASN 1110 0.0029 14.5973 15.9500
1638 CA ARG 1111 0.0042 15.7462 17.9600
1662 CA LEU 1112 0.0038 15.3763 20.2800
1681 CA ASN 1113 0.0091 20.0770 21.4600
1695 CA LEU 1114 0.0033 14.9373 21.6800
1714 CA GLU 1115 0.0072 18.4340 23.5200
1729 CA ALA 1116 0.0036 15.2286 19.3100
1739 CA ILE 1117 0.0017 13.5189 18.2600
1758 CA ASN 1118 0.0034 15.0257 19.0000
1772 CA TYR 1119 0.0025 14.2643 15.0900
1793 CA MET 1120 0.0021 13.8933 15.8100
1810 CA ALA 1121 0.0028 14.4989 14.3600
1820 CA ALA 1122 0.0025 14.2575 13.9500
1830 CA ASP 1123 0.0048 16.3191 17.9400
1842 CA GLY 1124 0.0053 16.7562 20.0400
1849 CA ASP 1125 0.0036 15.2582 21.9500
1861 CA PHE 1126 0.0020 13.8071 22.0500
1881 CA LYS 1127 0.0055 16.9295 23.5100
1903 CA ILE 1128 0.0032 14.8706 19.7900
1922 CA LYS 1129 0.0077 18.8609 18.2100
1944 CA CYS 1130 0.0065 17.8046 17.0900
1955 CA VAL 1131 0.0037 15.3124 13.7700
1971 CA ALA 1132 0.0069 18.1569 15.3300
1981 CA PHE 1133 0.0068 18.0638 27.4400
2001 CA ASP 1134 0.0137 24.1926 38.6800

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.