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* opt_a_lac *

B-factor analysis for ID 2406061849031399629

Overall B-factor prediction

Correlation= 0.576 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 0.0506 56.5285 43.7000
14 CA SER 1002 0.0304 38.7768 37.8600
25 CA GLY 1003 0.0070 18.2339 23.1300
32 CA LEU 1004 0.0052 16.6498 17.5700
51 CA VAL 1005 0.0064 17.6542 15.5700
67 CA ALA 1006 0.0051 16.5186 16.1100
77 CA SER 1007 0.0093 20.2665 19.2000
88 CA ASN 1008 0.0176 27.5634 22.4300
102 CA LEU 1009 0.0039 15.5225 23.0800
121 CA ASN 1010 0.0079 18.9941 26.0900
135 CA LEU 1011 0.0031 14.8240 24.1400
154 CA LYS 1012 0.0059 17.2663 24.7000
176 CA PRO 1013 0.0057 17.0870 24.5100
190 CA GLY 1014 0.0133 23.7670 23.3400
197 CA GLU 1015 0.0073 18.4507 23.5800
212 CA LEU 1017 0.0019 13.7212 15.9900
231 CA ARG 1018 0.0035 15.1445 13.9900
255 CA VAL 1019 0.0018 13.6151 12.5100
271 CA ARG 1020 0.0030 14.7179 14.6800
295 CA GLY 1021 0.0029 14.6170 15.3300
302 CA GLU 1022 0.0044 15.9573 19.0600
317 CA VAL 1023 0.0030 14.6780 19.1600
333 CA ALA 1024 0.0063 17.5979 22.0200
343 CA PRO 1025 0.0186 28.4174 27.4900
357 CA ASP 1026 0.0198 29.4831 29.9200
369 CA ALA 1027 0.0049 16.3871 23.7600
379 CA LYS 1028 0.0058 17.1458 20.4300
401 CA SER 1029 0.0029 14.5804 17.5500
412 CA PHE 1030 0.0016 13.4804 12.3200
432 CA VAL 1031 0.0017 13.5281 10.9000
448 CA LEU 1032 0.0012 13.0901 10.4100
467 CA ASN 1033 0.0016 13.4855 11.5300
481 CA LEU 1034 0.0011 12.9972 11.6000
500 CA GLY 1035 0.0015 13.4026 13.9500
507 CA LYS 1036 0.0035 15.1581 19.6000
529 CA ASP 1037 0.0046 16.1374 20.7800
541 CA SER 1038 0.0060 17.3185 20.0100
552 CA ASN 1039 0.0062 17.5295 20.6600
566 CA ASN 1040 0.0033 14.9350 16.1400
580 CA LEU 1041 0.0016 13.4853 12.9600
599 CA CYS 1042 0.0012 13.1328 12.4300
610 CA LEU 1043 0.0010 12.9258 10.5600
629 CA HIS 1044 0.0015 13.3824 10.5600
646 CA PHE 1045 0.0010 12.9723 10.5000
666 CA ASN 1046 0.0015 13.3981 10.1300
680 CA PRO 1047 0.0012 13.1549 11.2000
694 CA ARG 1048 0.0025 14.2813 12.6200
718 CA PHE 1049 0.0032 14.8325 14.0300
738 CA ASN 1050 0.0079 19.0088 17.6000
752 CA ALA 1051 0.0081 19.1405 20.2000
762 CA HIS 1052 0.0269 35.7347 23.7600
779 CA GLY 1053 0.0433 50.1717 22.1000
786 CA ASP 1054 0.0070 18.2459 16.5400
798 CA ALA 1055 0.0091 20.0461 14.1400
808 CA ASN 1056 0.0048 16.3199 10.8800
822 CA THR 1057 0.0028 14.5371 10.5000
836 CA ILE 1058 0.0017 13.5563 8.2700
855 CA VAL 1059 0.0020 13.7807 10.3400
871 CA CYS 1060 0.0017 13.5581 10.3400
882 CA ASN 1061 0.0022 13.9742 11.0300
896 CA SER 1062 0.0022 13.9551 12.4000
907 CA LYS 1063 0.0032 14.8648 16.9100
929 CA ASP 1064 0.0053 16.7231 21.5300
941 CA ASP 1065 0.0122 22.7885 24.1300
953 CA GLY 1066 0.0093 20.2688 20.2700
960 CA ALA 1067 0.0164 26.4687 19.5600
970 CA TRP 1068 0.0075 18.6855 17.2500
994 CA GLY 1069 0.0066 17.8974 16.4500
1001 CA THR 1070 0.0138 24.1588 15.0000
1015 CA GLU 1071 0.0048 16.2523 12.3300
1030 CA GLN 1072 0.0032 14.8456 10.9000
1047 CA ARG 1073 0.0042 15.7346 9.1000
1071 CA GLU 1074 0.0029 14.6225 8.4800
1086 CA ALA 1075 0.0169 26.9209 9.1800
1096 CA VAL 1076 0.0053 16.7243 8.8400
1112 CA PHE 1077 0.0029 14.6363 8.6100
1132 CA PRO 1078 0.0037 15.3184 11.8000
1146 CA PHE 1079 0.0020 13.8121 15.0100
1166 CA GLN 1080 0.0050 16.4133 22.0300
1183 CA PRO 1081 0.0061 17.4072 23.2700
1197 CA GLY 1082 0.0101 20.9193 23.7700
1204 CA SER 1083 0.0069 18.0876 23.0900
1215 CA VAL 1084 0.0058 17.1344 19.7200
1231 CA ALA 1085 0.0026 14.3792 16.6900
1241 CA GLU 1086 0.0026 14.3450 14.3500
1256 CA VAL 1087 0.0015 13.3406 15.1600
1272 CA CYS 1088 0.0025 14.2272 14.7100
1282 CA ILE 1089 0.0013 13.2345 13.7200
1301 CA THR 1090 0.0028 14.4856 17.3900
1315 CA PHE 1091 0.0026 14.3491 22.1100
1335 CA ASP 1092 0.0044 15.8968 27.7000
1347 CA GLN 1093 0.0057 17.1118 28.2100
1364 CA ALA 1094 0.0082 19.2425 23.5100
1374 CA ASN 1095 0.0032 14.8810 20.4900
1388 CA LEU 1096 0.0015 13.3787 14.1100
1407 CA THR 1097 0.0026 14.3171 12.0200
1421 CA VAL 1098 0.0016 13.5034 10.8600
1437 CA LYS 1099 0.0028 14.5434 10.5700
1459 CA LEU 1100 0.0024 14.1503 10.7200
1478 CA PRO 1101 0.0039 15.4947 13.3200
1492 CA ASP 1102 0.0150 25.2264 12.3000
1504 CA GLY 1103 0.0177 27.5796 12.3500
1511 CA TYR 1104 0.0055 16.9358 10.8600
1532 CA GLU 1105 0.0050 16.4816 13.1800
1547 CA PHE 1106 0.0027 14.4646 10.0000
1567 CA LYS 1107 0.0037 15.3321 11.4100
1589 CA PHE 1108 0.0019 13.7739 12.1400
1609 CA PRO 1109 0.0033 14.9556 15.2400
1623 CA ASN 1110 0.0029 14.6035 15.9500
1637 CA ARG 1111 0.0042 15.7867 17.9600
1661 CA LEU 1112 0.0038 15.3668 20.2800
1680 CA ASN 1113 0.0087 19.7052 21.4600
1694 CA LEU 1114 0.0032 14.9083 21.6800
1713 CA GLU 1115 0.0071 18.3432 23.5200
1728 CA ALA 1116 0.0036 15.2062 19.3100
1738 CA ILE 1117 0.0017 13.5412 18.2600
1757 CA ASN 1118 0.0034 15.0395 19.0000
1771 CA TYR 1119 0.0025 14.2666 15.0900
1792 CA MET 1120 0.0021 13.9085 15.8100
1809 CA ALA 1121 0.0028 14.4843 14.3600
1819 CA ALA 1122 0.0025 14.2820 13.9500
1829 CA ASP 1123 0.0049 16.3828 17.9400
1841 CA GLY 1124 0.0053 16.7111 20.0400
1848 CA ASP 1125 0.0037 15.2784 21.9500
1860 CA PHE 1126 0.0020 13.8201 22.0500
1880 CA LYS 1127 0.0056 16.9460 23.5100
1902 CA ILE 1128 0.0032 14.8951 19.7900
1921 CA LYS 1129 0.0077 18.8001 18.2100
1943 CA CYS 1130 0.0069 18.1651 17.0900
1953 CA VAL 1131 0.0038 15.3809 13.7700
1969 CA ALA 1132 0.0070 18.2592 15.3300
1979 CA PHE 1133 0.0066 17.8609 27.4400
1999 CA ASP 1134 0.0131 23.5907 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.