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

* COMPLEX (BINDING PROTEIN/PEPTIDE) 17-MAY-97 1WDN *

B-factor analysis for ID 2402060933351647297

Overall B-factor prediction

Correlation= 0.627 for 223 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 4 0.0568 31.6033 43.6800
11 CA LEU 5 0.0245 21.5101 29.0200
19 CA VAL 6 0.0160 18.8539 23.5100
26 CA VAL 7 0.0108 17.2024 20.7900
33 CA ALA 8 0.0084 16.4445 16.5900
38 CA THR 9 0.0082 16.3839 20.0700
45 CA ASP 10 0.0085 16.4953 19.0800
53 CA THR 11 0.0114 17.3922 18.8300
60 CA ALA 12 0.0092 16.6965 19.4800
65 CA PHE 13 0.0075 16.1906 18.5300
76 CA VAL 14 0.0088 16.5784 19.0100
83 CA PRO 15 0.0081 16.3694 16.1500
90 CA PHE 16 0.0063 15.7880 14.5700
101 CA GLU 17 0.0071 16.0681 15.4600
110 CA PHE 18 0.0176 19.3493 23.1900
121 CA LYS 19 0.0307 23.4396 27.3400
130 CA GLN 20 0.0673 34.8929 32.7800
139 CA GLY 21 0.1375 56.8861 36.6300
143 CA ASP 22 0.1566 62.8739 38.7500
151 CA LEU 23 0.0951 43.5965 28.8600
159 CA TYR 24 0.0199 20.0601 22.7500
171 CA VAL 25 0.0181 19.5040 19.8100
178 CA GLY 26 0.0094 16.7725 15.3200
182 CA PHE 27 0.0072 16.0830 12.8500
193 CA ASP 28 0.0056 15.5686 15.2500
201 CA VAL 29 0.0068 15.9631 17.2100
208 CA ASP 30 0.0091 16.6843 15.0600
216 CA LEU 31 0.0070 16.0216 17.8900
224 CA TRP 32 0.0088 16.5745 18.0300
238 CA ALA 33 0.0119 17.5450 15.1000
243 CA ALA 34 0.0140 18.2184 16.4700
248 CA ILE 35 0.0114 17.3934 15.5800
256 CA ALA 36 0.0210 20.4134 21.7700
261 CA LYS 37 0.0339 24.4495 25.7300
270 CA GLU 38 0.0296 23.0884 19.1100
279 CA LEU 39 0.0294 23.0458 17.8000
287 CA LYS 40 0.0582 32.0481 22.5100
296 CA LEU 41 0.0349 24.7444 28.5900
304 CA ASP 42 0.0434 27.4247 29.9100
312 CA TYR 43 0.0248 21.5860 24.1300
324 CA GLU 44 0.0253 21.7669 26.1000
333 CA LEU 45 0.0162 18.9124 26.3700
341 CA LYS 46 0.0166 19.0427 21.1800
350 CA PRO 47 0.0144 18.3262 22.6800
357 CA MET 48 0.0128 17.8222 21.9600
365 CA ASP 49 0.0135 18.0690 22.6300
373 CA PHE 50 0.0114 17.3909 18.4500
384 CA SER 51 0.0152 18.5902 23.7400
390 CA GLY 52 0.0206 20.2854 19.5600
394 CA ILE 53 0.0129 17.8839 16.2700
402 CA ILE 54 0.0196 19.9646 20.2200
410 CA PRO 55 0.0291 22.9399 21.0700
417 CA ALA 56 0.0216 20.5861 20.2800
422 CA LEU 57 0.0148 18.4682 20.5400
430 CA GLN 58 0.0304 23.3350 32.2200
439 CA THR 59 0.0463 28.3149 33.5300
446 CA LYS 60 0.0396 26.2239 36.7500
455 CA ASN 61 0.0485 29.0044 28.1900
463 CA VAL 62 0.0156 18.7068 22.3400
470 CA ASP 63 0.0147 18.4203 20.5600
478 CA LEU 64 0.0070 16.0301 14.7900
486 CA ALA 65 0.0064 15.8249 14.9100
491 CA LEU 66 0.0047 15.2985 15.6600
499 CA ALA 67 0.0060 15.7074 10.9700
504 CA GLY 68 0.0069 15.9941 11.4700
508 CA ILE 69 0.0072 16.0773 13.1300
516 CA THR 70 0.0117 17.5041 12.1400
523 CA ILE 71 0.0128 17.8444 14.5200
531 CA THR 72 0.0369 25.3951 22.6400
538 CA ASP 73 0.0555 31.2239 33.6800
546 CA GLU 74 0.0526 30.2968 31.9300
555 CA ARG 75 0.0262 22.0184 23.2600
566 CA LYS 76 0.0337 24.3809 24.2100
575 CA LYS 77 0.0575 31.8345 24.9200
584 CA ALA 78 0.0303 23.3270 22.9600
589 CA ILE 79 0.0182 19.5321 22.2200
597 CA ASP 80 0.0128 17.8231 17.1500
605 CA PHE 81 0.0107 17.1931 16.3600
616 CA SER 82 0.0110 17.2828 18.4900
622 CA ASP 83 0.0206 20.2757 19.0500
630 CA GLY 84 0.0103 17.0459 18.0300
634 CA TYR 85 0.0088 16.5896 16.6400
646 CA TYR 86 0.0110 17.2638 17.2600
658 CA LYS 87 0.0154 18.6537 20.4200
667 CA SER 88 0.0123 17.6762 19.3500
673 CA GLY 89 0.0137 18.1326 17.4500
677 CA LEU 90 0.0101 17.0048 16.1200
685 CA LEU 91 0.0096 16.8449 14.5100
693 CA VAL 92 0.0087 16.5398 16.1600
700 CA MET 93 0.0070 16.0363 16.2400
708 CA VAL 94 0.0127 17.8108 14.4000
715 CA LYS 95 0.0172 19.2090 16.6100
724 CA ALA 96 0.0443 27.6969 23.2100
729 CA ASN 97 0.0835 39.9617 32.7200
737 CA ASN 98 0.0443 27.6872 45.0200
745 CA ASN 99 0.0710 36.0658 46.1700
753 CA ASP 100 0.0478 28.8065 40.3200
761 CA VAL 101 0.0294 23.0438 31.4000
768 CA LYS 102 0.0471 28.5692 33.4400
777 CA SER 103 0.0332 24.2182 32.8200
783 CA VAL 104 0.0229 20.9948 33.9400
790 CA LYS 105 0.0276 22.4718 36.3900
799 CA ASP 106 0.0199 20.0495 37.3400
807 CA LEU 107 0.0318 23.7901 47.1200
815 CA ASP 108 0.0497 29.3877 49.9400
823 CA GLY 109 0.0450 27.9092 40.2700
827 CA LYS 110 0.0215 20.5506 28.0300
836 CA VAL 111 0.0189 19.7346 18.3700
843 CA VAL 112 0.0096 16.8447 16.8100
850 CA ALA 113 0.0085 16.4901 18.4600
855 CA VAL 114 0.0079 16.3065 15.8100
862 CA LYS 115 0.0085 16.4861 13.1700
871 CA SER 116 0.0151 18.5444 14.5600
877 CA GLY 117 0.0182 19.5356 13.4400
881 CA THR 118 0.0136 18.0996 12.5800
888 CA GLY 119 0.0145 18.3609 17.3800
892 CA SER 120 0.0120 17.6011 19.7200
898 CA VAL 121 0.0156 18.7158 17.3300
905 CA ASP 122 0.0257 21.8761 19.8500
913 CA TYR 123 0.0207 20.3081 17.8800
925 CA ALA 124 0.0216 20.6034 17.0200
930 CA LYS 125 0.0369 25.3701 20.9800
939 CA ALA 126 0.0586 32.1942 20.4400
944 CA ASN 127 0.0428 27.2330 23.4300
952 CA ILE 128 0.0333 24.2636 18.7900
960 CA LYS 129 0.0480 28.8612 26.2800
969 CA THR 130 0.0304 23.3533 28.8400
976 CA LYS 131 0.0462 28.2815 32.7100
985 CA ASP 132 0.0286 22.7974 28.7600
993 CA LEU 133 0.0196 19.9581 27.3700
1001 CA ARG 134 0.0150 18.5352 26.4300
1012 CA GLN 135 0.0162 18.9170 17.4200
1021 CA PHE 136 0.0143 18.3077 17.5200
1032 CA PRO 137 0.0194 19.9163 20.8400
1039 CA ASN 138 0.0123 17.6680 18.1300
1047 CA ILE 139 0.0100 16.9639 20.5200
1055 CA ASP 140 0.0218 20.6428 20.2800
1063 CA ASN 141 0.0182 19.5331 18.8400
1071 CA ALA 142 0.0099 16.9277 19.7000
1076 CA TYR 143 0.0105 17.1048 15.9800
1088 CA MET 144 0.0256 21.8394 18.1000
1096 CA GLU 145 0.0177 19.3735 18.6000
1105 CA LEU 146 0.0133 18.0029 18.3700
1113 CA GLY 147 0.0245 21.4980 17.6000
1117 CA THR 148 0.0506 29.6593 21.0100
1124 CA ASN 149 0.0438 27.5352 22.4600
1132 CA ARG 150 0.0330 24.1575 23.6600
1143 CA ALA 151 0.0188 19.7119 16.9100
1148 CA ASP 152 0.0127 17.7922 17.6200
1156 CA ALA 153 0.0086 16.5310 14.8900
1161 CA VAL 154 0.0051 15.4181 12.8400
1168 CA LEU 155 0.0053 15.4812 14.6200
1176 CA HIS 156 0.0064 15.8300 16.2700
1186 CA ASP 157 0.0073 16.1018 11.2700
1194 CA THR 158 0.0094 16.7631 12.5400
1201 CA PRO 159 0.0093 16.7486 14.4600
1208 CA ASN 160 0.0084 16.4525 15.2900
1216 CA ILE 161 0.0077 16.2512 14.8800
1224 CA LEU 162 0.0151 18.5600 18.0600
1232 CA TYR 163 0.0143 18.2966 22.6500
1244 CA PHE 164 0.0165 19.0097 23.0000
1255 CA ILE 165 0.0168 19.1014 23.0200
1263 CA LYS 166 0.0403 26.4363 30.3700
1272 CA THR 167 0.0455 28.0816 29.3000
1279 CA ALA 168 0.0483 28.9504 33.6700
1284 CA GLY 169 0.0316 23.7247 34.7100
1288 CA ASN 170 0.0503 29.5779 40.4100
1296 CA GLY 171 0.0695 35.5877 31.9400
1300 CA GLN 172 0.0346 24.6647 23.3400
1309 CA PHE 173 0.0190 19.7916 22.4400
1320 CA LYS 174 0.0188 19.7287 19.7800
1329 CA ALA 175 0.0171 19.1842 20.0800
1334 CA VAL 176 0.0223 20.8102 18.8300
1341 CA GLY 177 0.0312 23.5857 20.7100
1345 CA ASP 178 0.0494 29.2943 24.4500
1353 CA SER 179 0.0245 21.4932 20.6500
1359 CA LEU 180 0.0191 19.8055 20.7500
1367 CA GLU 181 0.0225 20.8647 25.1900
1376 CA ALA 182 0.0293 22.9983 15.7800
1381 CA GLN 183 0.0180 19.4643 15.7700
1390 CA GLN 184 0.0118 17.5118 19.0100
1399 CA TYR 185 0.0086 16.5284 13.2100
1411 CA GLY 186 0.0070 16.0213 9.6700
1415 CA ILE 187 0.0054 15.5337 14.8900
1423 CA ALA 188 0.0081 16.3623 14.4000
1428 CA PHE 189 0.0089 16.6122 14.8900
1439 CA PRO 190 0.0165 19.0056 16.5200
1446 CA LYS 191 0.0235 21.1949 20.9200
1455 CA GLY 192 0.0627 33.4525 23.9200
1459 CA SER 193 0.0298 23.1461 29.4900
1465 CA ASP 194 0.0461 28.2740 31.3200
1473 CA GLU 195 0.0731 36.7126 24.7000
1482 CA LEU 196 0.0221 20.7567 22.9500
1490 CA ARG 197 0.0161 18.8692 24.8800
1501 CA ASP 198 0.0330 24.1776 25.8900
1509 CA LYS 199 0.0297 23.1153 20.4400
1518 CA VAL 200 0.0136 18.0852 15.4800
1525 CA ASN 201 0.0165 19.0065 13.8300
1533 CA GLY 202 0.0243 21.4235 13.9700
1537 CA ALA 203 0.0187 19.6949 12.3700
1542 CA LEU 204 0.0140 18.1992 19.9200
1550 CA LYS 205 0.0272 22.3545 25.0800
1559 CA THR 206 0.0268 22.2064 21.2600
1566 CA LEU 207 0.0196 19.9511 21.0500
1574 CA ARG 208 0.0296 23.0926 25.7800
1585 CA GLU 209 0.0538 30.6862 22.6100
1594 CA ASN 210 0.0512 29.8611 19.3100
1602 CA GLY 211 0.0388 25.9772 22.3400
1606 CA THR 212 0.0226 20.8910 23.8100
1613 CA TYR 213 0.0148 18.4633 19.7300
1625 CA ASN 214 0.0253 21.7466 21.3900
1633 CA GLU 215 0.0281 22.6356 21.7100
1642 CA ILE 216 0.0137 18.1093 16.9800
1650 CA TYR 217 0.0138 18.1533 18.9900
1662 CA LYS 218 0.0250 21.6704 22.0200
1671 CA LYS 219 0.0254 21.7861 18.9400
1680 CA TRP 220 0.0147 18.4427 17.9600
1694 CA PHE 221 0.0213 20.4912 20.7700
1705 CA GLY 222 0.0584 32.1115 24.1800
1709 CA THR 223 0.0629 33.5238 26.8800
1716 CA GLU 224 0.0472 28.6125 27.0700
1725 CA PRO 225 0.0567 31.5920 24.6600
1732 CA LYS 226 0.1937 74.4911 33.0300

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.