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

* 1stjob *

B-factor analysis for ID 2405281028183778631

Overall B-factor prediction

Correlation= 0.560 for 171 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 SER 1007 0.2453 59.7683 43.5900
8 CA LEU 1008 0.0956 32.2622 41.9800
16 CA TYR 1009 0.0900 31.2400 36.4400
28 CA LYS 1010 0.0957 32.2780 27.7900
37 CA TYR 1011 0.0489 23.6796 20.6200
49 CA LEU 1012 0.0296 20.1415 21.0100
57 CA LEU 1013 0.0634 26.3580 19.4300
65 CA LEU 1014 0.0670 27.0182 18.8200
73 CA ARG 1015 0.0324 20.6500 19.2300
84 CA SER 1016 0.0553 24.8639 18.1400
90 CA THR 1017 0.1351 39.5217 19.6300
97 CA GLY 1018 0.1426 40.9013 29.0500
101 CA ASP 1019 0.0765 28.7618 31.8600
109 CA MET 1020 0.0440 22.7930 36.0300
117 CA HIS 1021 0.0492 23.7463 33.8200
127 CA LYS 1022 0.1209 36.9118 35.9500
136 CA ALA 1023 0.0363 21.3796 29.5900
141 CA LYS 1024 0.0429 22.5825 29.1700
150 CA SER 1025 0.0408 22.1975 27.3600
156 CA PRO 1026 0.0180 18.0032 24.5000
163 CA THR 1027 0.0363 21.3819 31.1100
170 CA ILE 1028 0.0372 21.5419 29.3400
178 CA MET 1029 0.0135 17.1862 24.7300
186 CA THR 1030 0.0144 17.3541 22.3200
193 CA ARG 1031 0.0219 18.7234 23.2600
204 CA VAL 1032 0.0166 17.7498 25.0300
211 CA THR 1033 0.0215 18.6513 24.7900
218 CA ASN 1034 0.0379 21.6596 25.2100
226 CA ASN 1035 0.0151 17.4877 23.4800
234 CA VAL 1036 0.0094 16.4340 17.8700
241 CA TYR 1037 0.0097 16.4898 17.6100
253 CA LEU 1038 0.0076 16.0928 15.8300
261 CA GLY 1039 0.0079 16.1640 16.6400
265 CA ASN 1040 0.0102 16.5855 16.5900
273 CA TYR 1041 0.0126 17.0144 18.2600
274 CA TYR 1041 0.0126 17.0186 18.2400
294 CA LYS 1042 0.0202 18.4182 20.2200
303 CA ASN 1043 0.0120 16.9078 18.1400
311 CA ALA 1044 0.0097 16.4791 16.8900
316 CA MET 1045 0.0182 18.0536 20.4700
324 CA ASP 1046 0.0321 20.5962 22.8300
332 CA ALA 1047 0.0163 17.7058 22.1500
337 CA PRO 1048 0.0286 19.9601 25.8800
344 CA SER 1049 0.0800 29.3961 28.6200
345 CA SER 1049 0.0794 29.2820 28.7900
353 CA SER 1050 0.0454 23.0403 30.9000
359 CA GLU 1051 0.1204 36.8270 35.1500
368 CA VAL 1052 0.0328 20.7218 30.2600
375 CA LYS 1053 0.0359 21.2945 33.6300
384 CA PHE 1054 0.0127 17.0368 21.1900
395 CA LYS 1055 0.0170 17.8328 19.9900
404 CA TYR 1056 0.0096 16.4763 16.2400
416 CA VAL 1057 0.0065 15.8999 14.8900
423 CA LEU 1058 0.0061 15.8309 13.3400
431 CA ASN 1059 0.0081 16.1926 13.0600
439 CA LEU 1060 0.0077 16.1168 14.2200
447 CA THR 1061 0.0115 16.8195 16.2500
454 CA MET 1062 0.0234 19.0082 18.3300
463 CA ASP 1063 0.0314 20.4820 20.1800
464 CA ASP 1063 0.0316 20.5140 20.1700
478 CA LYS 1064 0.0306 20.3190 20.3300
487 CA TYR 1065 0.0237 19.0534 17.7800
499 CA THR 1066 0.0618 26.0537 19.7300
506 CA LEU 1067 0.0320 20.5877 17.2400
514 CA PRO 1068 0.1729 46.4742 19.5000
521 CA ASN 1069 0.1533 42.8725 19.5300
529 CA SER 1070 0.0572 25.2046 19.8900
535 CA ASN 1071 0.0699 27.5526 20.7100
543 CA ILE 1072 0.0212 18.5946 18.4500
551 CA ASN 1073 0.0212 18.6081 18.8700
559 CA ILE 1074 0.0134 17.1607 16.2200
567 CA ILE 1075 0.0127 17.0462 16.3200
575 CA HIS 1076 0.0161 17.6696 15.7000
585 CA ILE 1077 0.0130 17.0894 16.7200
593 CA PRO 1078 0.0168 17.7894 17.2900
600 CA LEU 1079 0.0127 17.0465 16.1700
608 CA VAL 1080 0.0230 18.9370 16.2700
615 CA ASP 1081 0.0164 17.7108 15.8500
623 CA ASP 1082 0.0279 19.8316 22.2000
631 CA THR 1083 0.0337 20.8875 32.6400
638 CA THR 1084 0.0470 23.3374 38.2900
645 CA THR 1085 0.0200 18.3782 30.9600
653 CA ASP 1086 0.0210 18.5702 24.0100
654 CA ASP 1086 0.0211 18.5831 24.4200
668 CA ILE 1087 0.0113 16.7809 17.7400
676 CA SER 1088 0.0146 17.3960 18.1200
682 CA LYS 1089 0.0239 19.0947 19.0300
691 CA TYR 1090 0.0159 17.6350 15.2000
703 CA PHE 1091 0.0113 16.7842 15.0900
714 CA ASP 1092 0.0232 18.9762 18.8600
722 CA ASP 1093 0.0284 19.9247 18.5500
730 CA VAL 1094 0.0112 16.7584 15.1500
737 CA THR 1095 0.0112 16.7697 16.8700
744 CA ALA 1096 0.0193 18.2549 19.0300
749 CA PHE 1097 0.0143 17.3409 17.9200
760 CA LEU 1098 0.0102 16.5704 16.8300
769 CA SER 1099 0.0161 17.6693 21.4200
770 CA SER 1099 0.0161 17.6663 20.6200
780 CA LYS 1100 0.0210 18.5561 23.2700
789 CA CYS 1101 0.0127 17.0475 21.7600
795 CA ASP 1102 0.0175 17.9168 26.8900
803 CA GLN 1103 0.0373 21.5527 32.7000
812 CA ARG 1104 0.0387 21.8061 32.8600
823 CA ASN 1105 0.0307 20.3363 32.5700
831 CA GLU 1106 0.0188 18.1677 24.2100
840 CA PRO 1107 0.0125 16.9987 20.8000
847 CA VAL 1108 0.0071 16.0025 16.2400
854 CA LEU 1109 0.0059 15.7873 14.1400
862 CA VAL 1110 0.0046 15.5562 13.0500
869 CA HIS 1111 0.0061 15.8309 12.6100
879 CA SER 1112 0.0070 15.9922 14.4400
885 CA ALA 1113 0.0111 16.7431 17.2900
890 CA ALA 1114 0.0113 16.7813 16.9500
895 CA GLY 1115 0.0081 16.1930 14.9000
899 CA VAL 1116 0.0084 16.2553 14.1600
906 CA ASN 1117 0.0078 16.1308 12.5900
914 CA ARG 1118 0.0068 15.9591 11.8200
925 CA SER 1119 0.0057 15.7459 11.9100
931 CA GLY 1120 0.0059 15.7968 11.9900
935 CA ALA 1121 0.0055 15.7102 11.0800
940 CA MET 1122 0.0056 15.7286 11.4400
948 CA ILE 1123 0.0058 15.7728 11.8800
956 CA LEU 1124 0.0063 15.8552 12.1900
964 CA ALA 1125 0.0074 16.0726 12.1700
969 CA TYR 1126 0.0089 16.3429 13.8500
981 CA LEU 1127 0.0095 16.4595 15.8900
989 CA MET 1128 0.0100 16.5406 15.3300
997 CA SER 1129 0.0147 17.4133 18.0400
1003 CA LYS 1130 0.0264 19.5489 22.7600
1012 CA ASN 1131 0.0367 21.4549 21.3800
1020 CA LYS 1132 0.1556 43.2942 20.9900
1029 CA GLU 1133 0.1513 42.5022 21.5500
1038 CA SER 1134 0.0626 26.2006 21.3900
1044 CA LEU 1135 0.0610 25.9054 20.5300
1052 CA PRO 1136 0.0235 19.0175 17.6500
1059 CA MET 1137 0.0289 20.0214 19.8300
1067 CA LEU 1138 0.0271 19.6756 19.8600
1075 CA TYR 1139 0.0166 17.7519 17.1600
1087 CA PHE 1140 0.0108 16.6911 13.7100
1098 CA LEU 1141 0.0128 17.0606 14.7100
1106 CA TYR 1142 0.0131 17.1030 18.6100
1118 CA VAL 1143 0.0111 16.7384 17.1400
1125 CA TYR 1144 0.0092 16.3940 13.7400
1137 CA HIS 1145 0.0108 16.6986 16.2100
1147 CA SER 1146 0.0145 17.3757 18.5800
1153 CA MET 1147 0.0108 16.6879 16.0800
1161 CA ARG 1148 0.0115 16.8128 17.5300
1172 CA ASP 1149 0.0156 17.5719 23.3700
1180 CA LEU 1150 0.0205 18.4788 24.0500
1188 CA ARG 1151 0.0133 17.1406 20.9800
1199 CA GLY 1152 0.0181 18.0311 19.5700
1203 CA ALA 1153 0.0129 17.0805 17.2200
1208 CA PHE 1154 0.0083 16.2377 13.8700
1219 CA VAL 1155 0.0079 16.1554 13.6700
1226 CA GLU 1156 0.0123 16.9559 15.4200
1235 CA ASN 1157 0.0143 17.3339 15.3800
1243 CA PRO 1158 0.0221 18.7667 17.2600
1250 CA SER 1159 0.0174 17.8971 15.4900
1251 CA SER 1159 0.0174 17.9090 15.3000
1259 CA PHE 1160 0.0095 16.4537 13.1100
1270 CA LYS 1161 0.0118 16.8764 13.4300
1279 CA ARG 1162 0.0199 18.3620 12.2500
1290 CA GLN 1163 0.0127 17.0323 12.3100
1299 CA ILE 1164 0.0094 16.4353 12.7600
1307 CA ILE 1165 0.0172 17.8701 13.2000
1315 CA GLU 1166 0.0246 19.2201 15.7200
1324 CA LYS 1167 0.0190 18.1917 16.8700
1333 CA TYR 1168 0.0150 17.4572 16.2600
1345 CA VAL 1169 0.0269 19.6446 19.4200
1353 CA ILE 1170 0.0687 27.3337 32.6600
1354 CA ILE 1170 0.0691 27.4028 32.6600

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.