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

* MLR *

B-factor analysis for ID 2402090300251998370

Overall B-factor prediction

Correlation= 0.568 for 207 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 PRO 1 0.0490 19.2217 24.7900
9 CA GLN 2 0.0357 16.7005 17.8200
18 CA ILE 3 0.0198 13.6810 16.6700
26 CA THR 4 0.0234 14.3702 15.7500
33 CA LEU 5 0.0140 12.5795 13.9400
41 CA TRP 6 0.0384 17.2044 17.0500
55 CA LYS 7 0.0531 19.9896 18.4700
60 CA ARG 8 0.0212 13.9491 14.0800
71 CA PRO 9 0.0141 12.6040 12.8100
78 CA LEU 10 0.0192 13.5826 14.9900
86 CA VAL 11 0.0178 13.3008 16.5900
93 CA THR 12 0.0217 14.0496 16.5800
100 CA ILE 13 0.0163 13.0331 16.1400
108 CA ARG 14 0.0231 14.3082 19.4800
119 CA ILE 15 0.0211 13.9407 18.9300
127 CA GLY 16 0.0414 17.7767 21.1200
131 CA GLY 17 0.0764 24.4090 25.1700
135 CA GLN 18 0.0486 19.1427 22.9200
145 CA LEU 19 0.0376 17.0591 24.4100
146 CA LEU 19 0.0373 16.9934 21.9800
160 CA LYS 20 0.0234 14.3609 17.8800
170 CA GLU 21 0.0202 13.7664 15.9000
171 CA GLU 21 0.0207 13.8580 16.1000
187 CA ALA 22 0.0125 12.3129 11.0800
192 CA LEU 23 0.0112 12.0582 10.5800
200 CA LEU 24 0.0087 11.5784 9.6500
208 CA ASP 25 0.0093 11.7050 8.3900
216 CA THR 26 0.0086 11.5662 8.0400
223 CA GLY 27 0.0112 12.0557 8.6500
227 CA ALA 28 0.0130 12.3921 8.5900
232 CA ASP 29 0.0189 13.5255 9.2400
240 CA ASP 30 0.0113 12.0837 10.4800
248 CA THR 31 0.0085 11.5504 9.6800
255 CA VAL 32 0.0089 11.6233 9.8600
262 CA LEU 33 0.0099 11.8107 10.4300
270 CA GLU 34 0.0177 13.2815 13.5700
279 CA GLU 35 0.0360 16.7617 17.7700
288 CA MET 36 0.0308 15.7708 19.5900
296 CA ASN 37 0.0538 20.1302 21.7100
304 CA LEU 38 0.0351 16.5894 20.7600
312 CA PRO 39 0.0934 27.6152 26.4800
319 CA GLY 40 0.2175 51.1102 27.9000
323 CA LYS 41 0.1151 31.7270 24.7900
328 CA TRP 42 0.0441 18.2891 17.4000
342 CA LYS 43 0.0493 19.2702 18.9100
347 CA PRO 44 0.0544 20.2346 16.1200
354 CA LYS 45 0.0423 17.9428 14.5800
363 CA MET 46 0.0448 18.4163 13.5900
372 CA ILE 47 0.0329 16.1659 12.9200
373 CA ILE 47 0.0333 16.2467 12.1300
387 CA GLY 48 0.0446 18.3854 12.4900
391 CA GLY 49 0.0490 19.2143 11.1000
395 CA ILE 50 0.0326 16.1053 10.9200
403 CA GLY 51 0.0386 17.2443 12.7500
407 CA GLY 52 0.0512 19.6211 15.1100
411 CA PHE 53 0.0495 19.3006 10.6000
422 CA ILE 54 0.0308 15.7676 10.7700
430 CA LYS 55 0.0362 16.7991 11.7800
439 CA VAL 56 0.0215 14.0117 11.3300
446 CA ARG 57 0.0217 14.0558 12.5400
457 CA GLN 58 0.0216 14.0262 14.7300
466 CA TYR 59 0.0208 13.8714 15.2000
478 CA ASP 60 0.0349 16.5544 19.1100
486 CA GLN 61 0.0457 18.5977 20.1800
495 CA ILE 62 0.0225 14.2032 14.8100
503 CA PRO 63 0.0275 15.1498 17.3400
510 CA VAL 64 0.0152 12.8196 14.8600
517 CA GLU 65 0.0211 13.9394 17.7600
526 CA ILE 66 0.0149 12.7525 17.6900
534 CA CYS 67 0.0237 14.4170 24.9500
540 CA GLY 68 0.0452 18.4929 22.7000
544 CA HIS 69 0.0251 14.6883 16.5600
554 CA LYS 70 0.0264 14.9313 18.0500
563 CA ALA 71 0.0194 13.6197 13.8700
568 CA ILE 72 0.0266 14.9704 14.6400
576 CA GLY 73 0.0215 14.0167 15.0400
580 CA THR 74 0.0171 13.1722 13.4100
587 CA VAL 75 0.0110 12.0208 12.8700
594 CA LEU 76 0.0106 11.9493 11.6800
602 CA VAL 77 0.0127 12.3479 11.7600
609 CA GLY 78 0.0172 13.1988 13.3200
613 CA PRO 79 0.0223 14.1611 13.4900
620 CA THR 80 0.0191 13.5564 16.1000
627 CA PRO 81 0.0393 17.3841 15.8900
635 CA VAL 82 0.0207 13.8631 15.6200
636 CA VAL 82 0.0207 13.8581 13.5900
648 CA ASN 83 0.0129 12.3741 10.1800
656 CA ILE 84 0.0103 11.8926 9.2000
664 CA ILE 85 0.0072 11.3049 9.3600
672 CA GLY 86 0.0092 11.6822 8.5100
676 CA ARG 87 0.0109 11.9934 8.6600
687 CA ASN 88 0.0126 12.3315 10.0800
695 CA LEU 89 0.0105 11.9180 10.5500
703 CA LEU 90 0.0094 11.7196 9.3600
711 CA THR 91 0.0146 12.6933 10.3400
718 CA GLN 92 0.0176 13.2710 11.3000
727 CA ILE 93 0.0158 12.9325 12.6000
735 CA GLY 94 0.0199 13.7005 13.4600
740 CA CYS 95 0.0135 12.4850 13.4000
741 CA CYS 95 0.0134 12.4722 12.6400
751 CA THR 96 0.0155 12.8800 13.5900
758 CA LEU 97 0.0116 12.1357 12.9600
766 CA ASN 98 0.0178 13.3021 15.6000
774 CA PHE 99 0.0215 14.0150 18.4000
786 CA PRO 1 0.0619 21.6462 27.1300
793 CA GLN 2 0.0352 16.5980 22.7600
802 CA ILE 3 0.0182 13.3808 20.0600
810 CA THR 4 0.0232 14.3251 19.5400
817 CA LEU 5 0.0132 12.4317 9.9300
825 CA TRP 6 0.0356 16.6818 11.2700
839 CA LYS 7 0.0385 17.2299 10.9600
848 CA ARG 8 0.0178 13.3000 10.0300
859 CA PRO 9 0.0131 12.4130 10.4300
866 CA LEU 10 0.0189 13.5121 11.4600
874 CA VAL 11 0.0171 13.1794 13.1000
881 CA THR 12 0.0224 14.1880 16.1600
888 CA ILE 13 0.0157 12.9120 15.9800
896 CA ARG 14 0.0216 14.0291 20.1600
907 CA ILE 15 0.0189 13.5174 19.1900
915 CA GLY 16 0.0346 16.4932 22.9700
919 CA GLY 17 0.0643 22.1042 22.4400
923 CA GLN 18 0.0426 17.9968 24.4100
932 CA LEU 19 0.0388 17.2892 20.0300
940 CA LYS 20 0.0229 14.2654 19.0400
949 CA GLU 21 0.0207 13.8509 16.1700
958 CA ALA 22 0.0116 12.1290 12.5800
963 CA LEU 23 0.0104 11.9122 9.9600
971 CA LEU 24 0.0083 11.5130 10.4200
979 CA ASP 25 0.0091 11.6652 9.0400
987 CA THR 26 0.0088 11.6071 9.4100
994 CA GLY 27 0.0116 12.1276 10.1400
998 CA ALA 28 0.0128 12.3698 10.6700
1003 CA ASP 29 0.0218 14.0616 11.2100
1011 CA ASP 30 0.0118 12.1644 12.4500
1019 CA THR 31 0.0084 11.5204 10.9500
1027 CA VAL 32 0.0090 11.6479 10.2700
1028 CA VAL 32 0.0090 11.6402 10.3700
1040 CA LEU 33 0.0093 11.6972 11.2400
1048 CA GLU 34 0.0156 12.9006 13.5800
1057 CA GLU 35 0.0273 15.1069 14.5700
1066 CA MET 36 0.0287 15.3666 17.3600
1074 CA ASN 37 0.0595 21.1930 21.0100
1082 CA LEU 38 0.0350 16.5644 19.9500
1090 CA PRO 39 0.0869 26.3957 22.4400
1097 CA GLY 40 0.1643 41.0386 25.6500
1101 CA LYS 41 0.1102 30.8038 22.1800
1106 CA TRP 42 0.0435 18.1792 16.7700
1120 CA LYS 43 0.0477 18.9608 17.0000
1125 CA PRO 44 0.0506 19.5111 16.0800
1132 CA LYS 45 0.0337 16.3131 13.2200
1142 CA MET 46 0.0445 18.3641 10.4700
1143 CA MET 46 0.0438 18.2208 10.9900
1157 CA ILE 47 0.0340 16.3738 11.0800
1165 CA GLY 48 0.0511 19.6086 13.2000
1169 CA GLY 49 0.0469 18.8214 11.5500
1173 CA ILE 50 0.0283 15.2904 10.3800
1181 CA GLY 51 0.0359 16.7314 11.3800
1185 CA GLY 52 0.0469 18.8124 11.9000
1189 CA PHE 53 0.0469 18.8194 11.5600
1200 CA ILE 54 0.0299 15.6060 12.2300
1208 CA LYS 55 0.0349 16.5512 11.4300
1217 CA VAL 56 0.0198 13.6907 12.2500
1224 CA ARG 57 0.0202 13.7560 13.0800
1235 CA GLN 58 0.0201 13.7358 13.8100
1244 CA TYR 59 0.0209 13.8981 15.4800
1256 CA ASP 60 0.0338 16.3373 19.8300
1264 CA GLN 61 0.0453 18.5043 19.3000
1273 CA ILE 62 0.0214 13.9876 14.7500
1281 CA PRO 63 0.0252 14.7123 15.8100
1288 CA VAL 64 0.0152 12.8115 20.0000
1296 CA GLU 65 0.0196 13.6528 19.3800
1297 CA GLU 65 0.0200 13.7183 18.8500
1313 CA ILE 66 0.0150 12.7763 18.9300
1321 CA CYS 67 0.0244 14.5485 24.2800
1327 CA GLY 68 0.0421 17.9018 27.0500
1331 CA HIS 69 0.0243 14.5348 21.5900
1341 CA LYS 70 0.0272 15.0939 17.0000
1350 CA ALA 71 0.0189 13.5172 17.4700
1355 CA ILE 72 0.0245 14.5706 14.6400
1363 CA GLY 73 0.0206 13.8392 15.7100
1367 CA THR 74 0.0157 12.9040 15.0500
1374 CA VAL 75 0.0099 11.8088 13.3600
1381 CA LEU 76 0.0100 11.8386 11.7600
1389 CA VAL 77 0.0114 12.0976 11.3200
1396 CA GLY 78 0.0156 12.8933 12.4000
1400 CA PRO 79 0.0232 14.3277 12.5800
1407 CA THR 80 0.0174 13.2335 12.4200
1414 CA PRO 81 0.0292 15.4682 16.8300
1422 CA VAL 82 0.0223 14.1520 15.7500
1423 CA VAL 82 0.0224 14.1757 15.4800
1435 CA ASN 83 0.0124 12.2845 13.0300
1443 CA ILE 84 0.0096 11.7480 10.3000
1451 CA ILE 85 0.0068 11.2186 10.7200
1459 CA GLY 86 0.0090 11.6352 9.9900
1463 CA ARG 87 0.0113 12.0745 10.6100
1474 CA ASN 88 0.0131 12.4197 12.8300
1482 CA LEU 89 0.0106 11.9377 13.9200
1490 CA LEU 90 0.0099 11.8042 12.4800
1498 CA THR 91 0.0153 12.8398 16.5000
1505 CA GLN 92 0.0184 13.4241 18.1400
1514 CA ILE 93 0.0167 13.0997 20.7400
1522 CA GLY 94 0.0198 13.6877 21.7600
1526 CA CYS 95 0.0134 12.4756 17.4000
1532 CA THR 96 0.0165 13.0668 16.4400
1539 CA LEU 97 0.0118 12.1759 13.6700
1547 CA ASN 98 0.0165 13.0531 16.8400
1555 CA PHE 99 0.0200 13.7293 19.2600

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.