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

* METAL BINDING PROTEIN 30-OCT-99 1D9V *

B-factor analysis for ID 22020211090880531

Overall B-factor prediction

Correlation= 0.525 for 310 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 ASP 1 0.0340 29.1776 26.7500
10 CA ILE 2 0.0214 20.9439 23.2700
18 CA THR 3 0.0184 18.9981 21.6300
25 CA VAL 4 0.0135 15.7820 16.9100
32 CA TYR 5 0.0143 16.2772 14.8800
44 CA ASN 6 0.0149 16.7191 18.1400
52 CA GLY 7 0.0173 18.2535 21.7800
56 CA GLN 8 0.0147 16.5575 23.0100
65 CA HIS 9 0.0281 25.3386 41.2200
75 CA LYS 10 0.0296 26.2905 39.0900
84 CA GLU 11 0.0250 23.2650 44.8800
93 CA ALA 12 0.0165 17.7297 32.3700
98 CA ALA 13 0.0167 17.8919 24.9300
103 CA THR 14 0.0244 22.8761 26.2000
110 CA ALA 15 0.0197 19.8147 25.9700
115 CA VAL 16 0.0137 15.9192 25.6400
122 CA ALA 17 0.0194 19.6621 20.3900
127 CA LYS 18 0.0348 29.7053 29.6900
136 CA ALA 19 0.0256 23.6572 21.5500
141 CA PHE 20 0.0185 19.0428 24.4800
152 CA GLU 21 0.0326 28.2489 28.7800
161 CA GLN 22 0.0536 41.9930 31.3100
170 CA GLU 23 0.0490 38.9879 40.2100
179 CA THR 24 0.0451 36.4283 26.8300
186 CA GLY 25 0.0504 39.8579 27.8800
190 CA ILE 26 0.0350 29.8022 30.5700
198 CA LYS 27 0.0377 31.5591 31.8500
207 CA VAL 28 0.0256 23.6707 26.7900
214 CA THR 29 0.0270 24.6289 19.7800
221 CA LEU 30 0.0232 22.0989 24.8300
229 CA ASN 31 0.0272 24.7356 23.8000
237 CA SER 32 0.0293 26.1312 22.5600
243 CA GLY 33 0.0450 36.3831 23.3300
247 CA LYS 34 0.0469 37.5851 25.5900
256 CA SER 35 0.0233 22.2040 26.4200
262 CA GLU 36 0.0409 33.6957 33.9300
271 CA GLN 37 0.0524 41.1713 30.6500
280 CA LEU 38 0.0288 25.7999 26.4300
288 CA ALA 39 0.0291 25.9828 21.1100
293 CA GLY 40 0.0422 34.5563 28.1300
297 CA GLN 41 0.0403 33.2983 20.2000
306 CA LEU 42 0.0284 25.4971 24.3800
314 CA LYS 43 0.0419 34.3486 26.3700
323 CA GLU 44 0.0667 50.5266 23.3000
332 CA GLU 45 0.0496 39.3795 34.0000
341 CA GLY 46 0.0502 39.7333 27.6400
345 CA ASP 47 0.0747 55.7846 42.3200
353 CA LYS 48 0.0707 53.1218 33.6100
362 CA THR 49 0.0368 30.9698 29.5000
369 CA PRO 50 0.0342 29.2788 22.1700
376 CA ALA 51 0.0182 18.8779 18.9100
381 CA ASP 52 0.0143 16.3328 10.7500
389 CA VAL 53 0.0081 12.2818 16.9700
396 CA PHE 54 0.0079 12.0974 18.3700
407 CA TYR 55 0.0074 11.7804 20.0000
419 CA THR 56 0.0094 13.0907 18.3200
426 CA GLU 57 0.0114 14.3889 20.8300
435 CA GLN 58 0.0108 14.0279 17.8000
444 CA THR 59 0.0103 13.6949 20.4900
451 CA ALA 60 0.0148 16.6533 24.2500
456 CA THR 61 0.0157 17.1895 27.7400
463 CA PHE 62 0.0132 15.5754 21.4700
474 CA ALA 63 0.0276 25.0054 27.1400
479 CA ASP 64 0.0335 28.8343 22.6600
487 CA LEU 65 0.0226 21.7353 18.2900
495 CA SER 66 0.0242 22.7700 21.4100
501 CA GLU 67 0.0540 42.2123 20.5300
510 CA ALA 68 0.0553 43.0914 19.3400
515 CA GLY 69 0.0381 31.8360 26.6600
519 CA LEU 70 0.0261 23.9815 17.6600
527 CA LEU 71 0.0164 17.6493 14.1500
535 CA ALA 72 0.0178 18.6021 16.2600
540 CA PRO 73 0.0199 19.9349 19.6500
547 CA ILE 74 0.0162 17.5617 15.0100
555 CA SER 75 0.0339 29.1252 13.4700
561 CA GLU 76 0.0380 31.8005 24.5600
570 CA GLN 77 0.0430 35.0607 16.1000
579 CA THR 78 0.0198 19.8844 17.8600
586 CA ILE 79 0.0172 18.1801 19.7400
594 CA GLN 80 0.0260 23.9379 14.9300
603 CA GLN 81 0.0161 17.4540 16.1700
612 CA THR 82 0.0129 15.3823 20.2600
619 CA ALA 83 0.0201 20.0822 20.1200
624 CA GLN 84 0.0190 19.3920 23.9100
633 CA LYS 85 0.0609 46.7600 30.5300
642 CA GLY 86 0.0319 27.7920 15.2400
646 CA VAL 87 0.0158 17.3091 14.9400
653 CA PRO 88 0.0162 17.5659 18.9200
660 CA LEU 89 0.0237 22.4449 21.0800
668 CA ALA 90 0.0267 24.4131 14.3300
673 CA PRO 91 0.0568 44.0721 25.6500
680 CA LYS 92 0.0402 33.2460 21.1900
689 CA LYS 93 0.0227 21.7707 22.9700
698 CA ASP 94 0.0160 17.4096 14.9700
706 CA TRP 95 0.0096 13.2564 12.9200
720 CA ILE 96 0.0083 12.3900 13.2000
728 CA ALA 97 0.0070 11.5082 16.8000
733 CA LEU 98 0.0062 11.0230 14.2500
741 CA SER 99 0.0073 11.6994 14.9300
747 CA GLY 100 0.0082 12.2940 13.5300
751 CA ARG 101 0.0077 11.9922 13.3600
762 CA SER 102 0.0073 11.7388 16.8200
768 CA ARG 103 0.0060 10.8782 14.6200
779 CA VAL 104 0.0050 10.2171 14.5500
786 CA VAL 105 0.0055 10.5403 13.0300
793 CA VAL 106 0.0062 11.0164 14.8200
800 CA TYR 107 0.0109 14.0546 16.2300
812 CA ASP 108 0.0152 16.9041 18.4200
820 CA HIS 109 0.0249 23.2445 15.8000
830 CA THR 110 0.0436 35.4525 28.1300
837 CA LYS 111 0.0335 28.8210 24.3800
846 CA LEU 112 0.0270 24.5808 16.9700
854 CA SER 113 0.0419 34.3426 16.2400
860 CA GLU 114 0.0385 32.1142 21.5000
869 CA LYS 115 0.0802 59.3702 35.4500
878 CA ASP 116 0.0402 33.2241 14.2500
886 CA MET 117 0.0148 16.6442 18.8700
894 CA GLU 118 0.0144 16.3578 18.1700
903 CA LYS 119 0.0168 17.9358 27.6100
912 CA SER 120 0.0134 15.7119 20.4000
918 CA VAL 121 0.0100 13.5211 16.6600
925 CA LEU 122 0.0115 14.4429 17.9900
933 CA ASP 123 0.0143 16.2961 13.0000
941 CA TYR 124 0.0110 14.1268 12.3700
953 CA ALA 125 0.0147 16.5833 17.1300
958 CA THR 126 0.0219 21.2750 20.3200
965 CA PRO 127 0.0447 36.1598 20.2700
972 CA LYS 128 0.0439 35.6637 20.1100
981 CA TRP 129 0.0200 20.0276 19.0400
995 CA LYS 130 0.0297 26.3778 14.7600
1004 CA GLY 131 0.0273 24.7694 16.9600
1008 CA LYS 132 0.0197 19.8000 23.0400
1017 CA ILE 133 0.0112 14.2770 19.6100
1025 CA GLY 134 0.0119 14.7042 14.2800
1029 CA TYR 135 0.0124 15.0783 15.1500
1041 CA VAL 136 0.0154 16.9990 23.0200
1048 CA SER 137 0.0219 21.2747 25.4700
1054 CA THR 138 0.0341 29.2497 26.2900
1061 CA SER 139 0.0228 21.8691 26.4200
1067 CA GLY 140 0.0256 23.7058 16.8400
1071 CA ALA 141 0.0150 16.7917 19.5200
1076 CA PHE 142 0.0113 14.3561 13.1300
1087 CA LEU 143 0.0150 16.7339 17.6000
1095 CA GLU 144 0.0134 15.6987 15.4300
1104 CA GLN 145 0.0100 13.4900 13.5500
1113 CA VAL 146 0.0108 14.0065 16.4900
1120 CA VAL 147 0.0148 16.6445 17.0900
1127 CA ALA 148 0.0146 16.4737 23.4000
1132 CA LEU 149 0.0144 16.3585 22.7000
1140 CA SER 150 0.0202 20.1757 19.0900
1146 CA LYS 151 0.0227 21.7970 17.6700
1155 CA MET 152 0.0221 21.4168 22.6100
1163 CA LYS 153 0.0300 26.5771 23.5500
1172 CA GLY 154 0.0329 28.4716 20.7400
1176 CA ASP 155 0.0328 28.4107 26.4200
1184 CA LYS 156 0.0516 40.6406 32.4300
1193 CA VAL 157 0.0275 24.9337 22.0000
1200 CA ALA 158 0.0182 18.8638 21.0000
1205 CA LEU 159 0.0230 21.9789 30.2600
1213 CA ASN 160 0.0250 23.2984 23.6000
1221 CA TRP 161 0.0137 15.8977 16.7600
1235 CA LEU 162 0.0140 16.1326 15.6000
1243 CA LYS 163 0.0210 20.6891 35.5100
1252 CA GLY 164 0.0205 20.3498 18.4600
1256 CA LEU 165 0.0145 16.4188 21.9000
1264 CA LYS 166 0.0227 21.7854 27.1100
1273 CA GLU 167 0.0328 28.3895 20.9300
1282 CA ASN 168 0.0226 21.6929 16.5000
1290 CA GLY 169 0.0174 18.3255 17.7300
1294 CA LYS 170 0.0194 19.6150 20.6200
1303 CA LEU 171 0.0213 20.9057 23.1100
1311 CA TYR 172 0.0218 21.2219 21.2600
1323 CA ALA 173 0.0381 31.8297 25.2500
1328 CA LYS 174 0.0333 28.7208 21.6000
1337 CA ASN 175 0.0165 17.7565 23.6700
1345 CA SER 176 0.0245 22.9752 18.0100
1351 CA VAL 177 0.0265 24.2470 24.8600
1358 CA ALA 178 0.0167 17.9012 18.7200
1363 CA LEU 179 0.0140 16.1037 17.5200
1371 CA GLN 180 0.0218 21.1868 24.7100
1380 CA ALA 181 0.0228 21.8396 22.9300
1385 CA VAL 182 0.0160 17.3847 20.8600
1392 CA GLU 183 0.0206 20.4403 25.9000
1401 CA ASN 184 0.0356 30.2291 34.9800
1409 CA GLY 185 0.0308 27.0954 26.9000
1413 CA GLU 186 0.0328 28.3823 25.0500
1422 CA VAL 187 0.0196 19.7853 19.7100
1429 CA PRO 188 0.0165 17.7277 16.9300
1436 CA ALA 189 0.0093 13.0416 15.6000
1441 CA ALA 190 0.0080 12.1811 15.2800
1446 CA LEU 191 0.0054 10.4651 13.9000
1454 CA ILE 192 0.0069 11.4552 14.9800
1462 CA ASN 193 0.0078 12.0589 12.6000
1470 CA ASN 194 0.0072 11.6590 16.4400
1478 CA TYR 195 0.0103 13.6613 17.9400
1490 CA TYR 196 0.0108 14.0452 22.2600
1502 CA TRP 197 0.0105 13.8289 18.8000
1516 CA TYR 198 0.0110 14.1631 15.2500
1528 CA ASN 199 0.0167 17.8430 24.9900
1536 CA LEU 200 0.0184 18.9534 30.6800
1544 CA ALA 201 0.0228 21.8662 23.5100
1549 CA LYS 202 0.0304 26.8095 36.4600
1558 CA GLU 203 0.0654 49.6576 33.0600
1567 CA LYS 204 0.0601 46.2363 35.9100
1576 CA GLY 205 0.0517 40.7069 30.6500
1580 CA VAL 206 0.0408 33.6076 37.9000
1587 CA GLU 207 0.1007 72.7561 50.1100
1596 CA ASN 208 0.0743 55.5046 32.8800
1604 CA LEU 209 0.0250 23.2803 35.1000
1612 CA LYS 210 0.0221 21.4048 21.7200
1621 CA SER 211 0.0132 15.5859 14.7200
1627 CA ARG 212 0.0142 16.2185 14.3800
1638 CA LEU 213 0.0076 11.9324 15.7700
1646 CA TYR 214 0.0078 12.0659 16.2200
1658 CA PHE 215 0.0072 11.6656 16.8700
1669 CA VAL 216 0.0087 12.6446 20.2700
1676 CA ARG 217 0.0129 15.4080 15.0700
1688 CA HIS 218 0.0202 20.1576 25.3000
1689 CA HIS 218 0.0204 20.3071 15.1000
1707 CA GLN 219 0.0177 18.5084 14.7100
1716 CA ASP 220 0.0142 16.2661 23.1600
1724 CA PRO 221 0.0108 13.9865 15.5100
1731 CA GLY 222 0.0087 12.6600 11.5300
1735 CA ALA 223 0.0087 12.6141 8.8100
1740 CA LEU 224 0.0085 12.4978 11.5000
1748 CA VAL 225 0.0085 12.4839 11.0500
1755 CA SER 226 0.0086 12.6100 12.6700
1761 CA TYR 227 0.0081 12.2425 14.9300
1773 CA SER 228 0.0077 12.0188 14.1300
1779 CA GLY 229 0.0063 11.0613 13.0400
1783 CA ALA 230 0.0051 10.2897 15.5000
1788 CA ALA 231 0.0074 11.8082 15.9200
1793 CA VAL 232 0.0092 13.0018 15.3800
1800 CA LEU 233 0.0148 16.6119 15.6400
1808 CA LYS 234 0.0229 21.9059 25.6600
1817 CA ALA 235 0.0295 26.2225 27.5700
1822 CA SER 236 0.0233 22.1972 30.6900
1828 CA LYS 237 0.0433 35.2639 38.0800
1837 CA ASN 238 0.0314 27.4789 22.7900
1845 CA GLN 239 0.0242 22.7759 18.0200
1854 CA ALA 240 0.0315 27.5363 18.8400
1859 CA GLU 241 0.0212 20.8100 16.8400
1868 CA ALA 242 0.0133 15.6558 17.1300
1873 CA GLN 243 0.0131 15.5137 13.5000
1882 CA LYS 244 0.0159 17.3528 19.9400
1891 CA PHE 245 0.0089 12.7898 15.2200
1902 CA VAL 246 0.0081 12.2207 15.2400
1909 CA ASP 247 0.0127 15.2316 21.1400
1917 CA PHE 248 0.0112 14.2885 16.5700
1928 CA LEU 249 0.0077 11.9903 18.7200
1936 CA ALA 250 0.0089 12.8052 19.8300
1941 CA SER 251 0.0151 16.8133 20.6500
1947 CA LYS 252 0.0185 19.0496 26.7000
1956 CA LYS 253 0.0203 20.2439 19.3300
1965 CA GLY 254 0.0122 14.9370 18.3500
1969 CA GLN 255 0.0107 13.9406 17.1100
1978 CA GLU 256 0.0165 17.7457 19.8900
1987 CA ALA 257 0.0144 16.3429 19.8400
1992 CA LEU 258 0.0114 14.4066 24.3000
2000 CA VAL 259 0.0133 15.6805 21.4700
2007 CA ALA 260 0.0184 18.9679 31.0000
2012 CA ALA 261 0.0166 17.7975 19.5900
2017 CA ARG 262 0.0141 16.1690 21.3700
2028 CA ALA 263 0.0098 13.3452 19.8500
2033 CA GLU 264 0.0089 12.7734 17.6100
2042 CA TYR 265 0.0080 12.1803 13.8900
2054 CA PRO 266 0.0093 13.0546 19.5700
2061 CA LEU 267 0.0101 13.5463 15.2400
2069 CA ARG 268 0.0117 14.6292 32.1500
2080 CA ALA 269 0.0301 26.6171 36.8700
2085 CA ASP 270 0.0332 28.6780 28.6100
2093 CA VAL 271 0.0198 19.9152 20.3900
2100 CA VAL 272 0.0272 24.7464 28.4000
2107 CA SER 273 0.0176 18.4756 19.5000
2113 CA PRO 274 0.0236 22.3770 30.7800
2120 CA PHE 275 0.0175 18.4204 19.7800
2131 CA ASN 276 0.0232 22.1382 26.3000
2139 CA LEU 277 0.0125 15.1003 21.0300
2147 CA GLU 278 0.0137 15.9158 16.9900
2156 CA PRO 279 0.0170 18.0952 22.9000
2163 CA TYR 280 0.0123 14.9688 23.0600
2175 CA GLU 281 0.0211 20.7209 23.7800
2184 CA LYS 282 0.0203 20.2293 23.8400
2193 CA LEU 283 0.0120 14.7865 18.5900
2201 CA GLU 284 0.0161 17.4702 15.6800
2210 CA ALA 285 0.0129 15.3665 15.1100
2215 CA PRO 286 0.0160 17.3809 19.0200
2222 CA VAL 287 0.0249 23.2376 19.9100
2229 CA VAL 288 0.0325 28.1893 23.1100
2236 CA SER 289 0.0545 42.5402 24.3800
2242 CA ALA 290 0.0410 33.7153 30.9700
2247 CA THR 291 0.0269 24.5368 26.1500
2254 CA THR 292 0.0407 33.5327 22.4300
2261 CA ALA 293 0.0796 58.9888 39.6800
2266 CA GLN 294 0.0728 54.4926 33.9600
2275 CA ASP 295 0.0319 27.7832 24.3600
2283 CA LYS 296 0.0313 27.3751 25.9100
2292 CA GLU 297 0.0509 40.2037 35.1900
2301 CA HIS 298 0.0365 30.7744 25.2600
2311 CA ALA 299 0.0251 23.3546 26.8600
2316 CA ILE 300 0.0339 29.1241 28.3900
2324 CA LYS 301 0.0374 31.4033 30.7100
2333 CA LEU 302 0.0272 24.7582 19.6200
2341 CA ILE 303 0.0251 23.3251 30.0100
2349 CA GLU 304 0.0413 33.9563 38.8900
2358 CA GLU 305 0.0396 32.8467 33.3800
2367 CA ALA 306 0.0316 27.5890 33.5400
2372 CA GLY 307 0.0418 34.2483 36.2300
2376 CA LEU 308 0.0312 27.3674 46.2500
2384 CA LYS 309 0.0472 37.8210 148.6600

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: October 18th, 2018.

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