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

* 1DQZ *

B-factor analysis for ID 240228060125923889

Overall B-factor prediction

Correlation= 0.619 for 280 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 ARG 1 0.8479 97.1833 50.8500
13 CA PRO 2 0.4345 57.8875 46.6700
20 CA GLY 3 0.1374 29.6508 39.1300
24 CA LEU 4 0.0433 20.7056 28.7900
32 CA PRO 5 0.0301 19.4552 22.5200
39 CA VAL 6 0.0216 18.6461 19.6500
46 CA GLU 7 0.0154 18.0549 18.5100
55 CA TYR 8 0.0135 17.8768 15.7900
67 CA LEU 9 0.0136 17.8887 17.1700
75 CA GLN 10 0.0155 18.0647 22.2600
84 CA VAL 11 0.0138 17.9024 20.6400
91 CA PRO 12 0.0176 18.2662 21.7500
98 CA SER 13 0.0174 18.2437 20.7500
104 CA ALA 14 0.0398 20.3780 24.7200
109 CA SER 15 0.0186 18.3637 24.5200
115 CA MET 16 0.0156 18.0759 21.7500
123 CA GLY 17 0.0365 20.0621 24.6500
127 CA ARG 18 0.0314 19.5807 23.2600
138 CA ASP 19 0.0204 18.5361 22.6800
146 CA ILE 20 0.0128 17.8146 17.2900
154 CA LYS 21 0.0113 17.6669 17.0500
163 CA VAL 22 0.0079 17.3411 15.4400
170 CA GLN 23 0.0073 17.2889 14.7000
179 CA PHE 24 0.0075 17.3052 16.3200
190 CA GLN 25 0.0105 17.5970 16.7200
199 CA GLY 26 0.0126 17.7944 21.4200
203 CA GLY 27 0.0160 18.1193 23.7100
207 CA GLY 28 0.0159 18.1088 24.1900
211 CA PRO 29 0.0155 18.0666 22.3100
218 CA HIS 30 0.0105 17.5877 20.1800
228 CA ALA 31 0.0058 17.1476 17.3100
233 CA VAL 32 0.0051 17.0804 14.5400
240 CA TYR 33 0.0037 16.9453 11.8900
252 CA LEU 34 0.0042 16.9898 12.6600
260 CA LEU 35 0.0039 16.9676 11.4100
268 CA ASP 36 0.0045 17.0199 12.7000
276 CA GLY 37 0.0081 17.3675 14.2200
280 CA LEU 38 0.0085 17.3993 15.7500
288 CA ARG 39 0.0226 18.7384 16.3100
299 CA ALA 40 0.0157 18.0855 14.1900
304 CA GLN 41 0.0197 18.4630 15.3800
313 CA ASP 42 0.0226 18.7380 16.9600
321 CA ASP 43 0.0232 18.8003 14.3900
329 CA TYR 44 0.0126 17.7965 13.7900
341 CA ASN 45 0.0073 17.2843 13.0200
349 CA GLY 46 0.0085 17.3977 13.1900
353 CA TRP 47 0.0064 17.2026 12.5200
367 CA ASP 48 0.0091 17.4612 15.4700
375 CA ILE 49 0.0167 18.1787 14.6400
383 CA ASN 50 0.0168 18.1895 16.0400
391 CA THR 51 0.0121 17.7420 15.7500
398 CA PRO 52 0.0154 18.0555 16.2700
405 CA ALA 53 0.0106 17.6051 14.2700
410 CA PHE 54 0.0092 17.4693 15.8100
421 CA GLU 55 0.0233 18.8057 21.1000
430 CA GLU 56 0.0170 18.2068 19.8000
439 CA TYR 57 0.0106 17.6060 18.2800
451 CA TYR 58 0.0164 18.1557 21.3700
463 CA GLN 59 0.0405 20.4436 24.2000
472 CA SER 60 0.0203 18.5207 21.9700
478 CA GLY 61 0.0167 18.1796 20.7600
482 CA LEU 62 0.0116 17.6935 19.7900
490 CA SER 63 0.0078 17.3362 17.1700
496 CA VAL 64 0.0067 17.2337 15.4100
503 CA ILE 65 0.0048 17.0497 13.8700
511 CA MET 66 0.0051 17.0838 12.9000
519 CA PRO 67 0.0053 17.1025 12.3600
526 CA VAL 68 0.0068 17.2453 12.8000
533 CA GLY 69 0.0084 17.3935 14.1400
537 CA GLY 70 0.0074 17.2931 17.3700
541 CA GLN 71 0.0103 17.5729 15.3700
550 CA SER 72 0.0083 17.3869 14.7700
556 CA SER 73 0.0050 17.0688 14.1800
562 CA PHE 74 0.0045 17.0259 12.4400
573 CA TYR 75 0.0038 16.9541 14.6200
585 CA THR 76 0.0044 17.0092 14.3400
592 CA ASP 77 0.0068 17.2409 16.9400
600 CA TRP 78 0.0068 17.2443 16.5900
614 CA TYR 79 0.0154 18.0579 20.5100
626 CA GLN 80 0.0175 18.2572 24.7500
635 CA PRO 81 0.0174 18.2515 23.2700
642 CA SER 82 0.0154 18.0554 22.8600
648 CA GLN 83 0.0304 19.4874 34.2900
657 CA SER 84 0.0459 20.9556 37.1900
663 CA ASN 85 0.0417 20.5614 28.4500
671 CA GLY 86 0.0653 22.8008 27.8100
675 CA GLN 87 0.0304 19.4851 26.0700
684 CA ASN 88 0.0517 21.5129 28.7000
692 CA TYR 89 0.0212 18.6067 24.4600
704 CA THR 90 0.0150 18.0169 20.8300
711 CA TYR 91 0.0069 17.2543 18.6800
723 CA LYS 92 0.0075 17.3109 16.7100
732 CA TRP 93 0.0046 17.0292 15.4300
746 CA GLU 94 0.0055 17.1146 15.7500
755 CA THR 95 0.0084 17.3927 16.9700
762 CA PHE 96 0.0069 17.2521 16.3100
773 CA LEU 97 0.0055 17.1207 14.9700
781 CA THR 98 0.0071 17.2677 17.6300
788 CA ARG 99 0.0117 17.7048 22.5300
799 CA GLU 100 0.0110 17.6409 20.1000
808 CA MET 101 0.0090 17.4468 17.2900
816 CA PRO 102 0.0102 17.5674 18.1300
823 CA ALA 103 0.0212 18.6056 20.7500
828 CA TRP 104 0.0173 18.2352 22.4100
842 CA LEU 105 0.0128 17.8091 19.7600
850 CA GLN 106 0.0202 18.5189 22.9700
859 CA ALA 107 0.0386 20.2601 25.4800
864 CA ASN 108 0.0356 19.9758 25.5800
872 CA LYS 109 0.0212 18.6121 24.3600
881 CA GLY 110 0.0254 19.0072 24.5900
885 CA VAL 111 0.0128 17.8122 21.8900
892 CA SER 112 0.0140 17.9267 21.5700
898 CA PRO 113 0.0127 17.7981 20.9000
905 CA THR 114 0.0136 17.8895 20.6300
912 CA GLY 115 0.0095 17.5012 18.9700
916 CA ASN 116 0.0073 17.2891 17.8600
924 CA ALA 117 0.0047 17.0455 15.2000
929 CA ALA 118 0.0044 17.0087 13.4200
934 CA VAL 119 0.0036 16.9365 12.6200
941 CA GLY 120 0.0037 16.9503 12.0500
945 CA LEU 121 0.0045 17.0182 14.2100
953 CA SER 122 0.0047 17.0371 12.8400
959 CA MET 123 0.0046 17.0308 12.8500
967 CA SER 124 0.0041 16.9868 12.4200
973 CA GLY 125 0.0043 17.0005 11.3600
977 CA GLY 126 0.0039 16.9696 13.2300
981 CA SER 127 0.0037 16.9433 12.4700
987 CA ALA 128 0.0039 16.9658 10.9200
992 CA LEU 129 0.0045 17.0268 10.7000
1000 CA ILE 130 0.0052 17.0889 11.9500
1008 CA LEU 131 0.0055 17.1142 13.3900
1016 CA ALA 132 0.0060 17.1607 15.0800
1021 CA ALA 133 0.0080 17.3549 14.7800
1026 CA TYR 134 0.0093 17.4794 14.4600
1038 CA TYR 135 0.0082 17.3782 14.9400
1050 CA PRO 136 0.0099 17.5322 17.3100
1057 CA GLN 137 0.0219 18.6718 21.6500
1066 CA GLN 138 0.0098 17.5301 18.1200
1075 CA PHE 139 0.0062 17.1814 16.0700
1086 CA PRO 140 0.0077 17.3279 16.5700
1093 CA TYR 141 0.0052 17.0887 14.3100
1105 CA ALA 142 0.0051 17.0779 14.3600
1110 CA ALA 143 0.0040 16.9718 13.0500
1115 CA SER 144 0.0036 16.9407 12.3400
1121 CA LEU 145 0.0038 16.9582 12.7400
1129 CA SER 146 0.0041 16.9858 12.4300
1135 CA GLY 147 0.0050 17.0677 13.3800
1139 CA PHE 148 0.0053 17.0959 15.4700
1150 CA LEU 149 0.0062 17.1857 13.3000
1158 CA ASN 150 0.0075 17.3053 14.3600
1166 CA PRO 151 0.0091 17.4640 14.0600
1173 CA SER 152 0.0110 17.6400 16.4400
1179 CA GLU 153 0.0259 19.0562 20.3600
1188 CA SER 154 0.0448 20.8487 22.6500
1194 CA TRP 155 0.0343 19.8520 19.4500
1208 CA TRP 156 0.0148 18.0002 16.1000
1222 CA PRO 157 0.0174 18.2475 16.3900
1229 CA THR 158 0.0264 19.1059 18.4400
1236 CA LEU 159 0.0208 18.5747 17.3200
1244 CA ILE 160 0.0161 18.1205 15.5600
1252 CA GLY 161 0.0330 19.7301 16.6000
1256 CA LEU 162 0.0382 20.2210 16.7100
1264 CA ALA 163 0.0239 18.8628 15.6200
1269 CA MET 164 0.0136 17.8914 15.9000
1277 CA ASN 165 0.0268 19.1445 19.1500
1285 CA ASP 166 0.0435 20.7328 17.9500
1293 CA SER 167 0.0236 18.8404 19.1000
1299 CA GLY 168 0.0258 19.0449 19.3200
1303 CA GLY 169 0.0232 18.8036 21.2300
1307 CA TYR 170 0.0148 18.0030 18.3300
1319 CA ASN 171 0.0148 17.9978 20.3500
1327 CA ALA 172 0.0126 17.7882 18.0700
1332 CA ASN 173 0.0188 18.3821 22.0300
1340 CA SER 174 0.0132 17.8503 20.2600
1346 CA MET 175 0.0078 17.3323 17.2900
1354 CA TRP 176 0.0084 17.3956 18.4000
1368 CA GLY 177 0.0211 18.5986 21.2900
1372 CA PRO 178 0.0416 20.5503 24.6300
1379 CA SER 179 0.0321 19.6482 24.2500
1385 CA SER 180 0.0532 21.6536 25.8300
1391 CA ASP 181 0.0281 19.2622 21.8600
1399 CA PRO 182 0.0307 19.5126 22.4900
1406 CA ALA 183 0.0124 17.7704 18.4800
1411 CA TRP 184 0.0100 17.5435 16.9200
1425 CA LYS 185 0.0111 17.6541 16.2800
1434 CA ARG 186 0.0091 17.4636 15.7600
1445 CA ASN 187 0.0066 17.2231 13.6100
1453 CA ASP 188 0.0070 17.2565 12.2900
1461 CA PRO 189 0.0068 17.2401 13.4600
1468 CA MET 190 0.0071 17.2681 13.7500
1476 CA VAL 191 0.0100 17.5444 14.9000
1483 CA GLN 192 0.0094 17.4857 13.5200
1492 CA ILE 193 0.0111 17.6516 15.0900
1500 CA PRO 194 0.0145 17.9756 16.0300
1507 CA ARG 195 0.0117 17.7053 16.6600
1518 CA LEU 196 0.0092 17.4704 15.0000
1526 CA VAL 197 0.0151 18.0267 17.6100
1533 CA ALA 198 0.0252 18.9919 17.0500
1538 CA ASN 199 0.0172 18.2255 19.8300
1546 CA ASN 200 0.0172 18.2254 17.2000
1554 CA THR 201 0.0085 17.4009 16.0500
1561 CA ARG 202 0.0077 17.3273 14.1200
1572 CA ILE 203 0.0059 17.1570 14.2900
1580 CA TRP 204 0.0053 17.1001 14.3800
1594 CA VAL 205 0.0055 17.1194 13.2600
1601 CA TYR 206 0.0047 17.0369 14.4600
1613 CA CYS 207 0.0070 17.2557 14.3500
1619 CA GLY 208 0.0087 17.4204 17.2900
1623 CA ASN 209 0.0175 18.2569 21.6000
1631 CA GLY 210 0.0179 18.2915 22.3500
1635 CA THR 211 0.0288 19.3352 25.4100
1642 CA PRO 212 0.0277 19.2295 25.8600
1649 CA SER 213 0.0620 22.4857 29.1500
1655 CA ASP 214 0.1092 26.9727 34.1600
1663 CA LEU 215 0.0465 21.0173 30.1400
1671 CA GLY 216 0.0426 20.6462 27.8500
1675 CA GLY 217 0.0323 19.6613 26.3400
1679 CA ASP 218 0.0453 20.9011 27.4600
1687 CA ASN 219 0.0703 23.2804 24.5700
1695 CA ILE 220 0.0769 23.9029 24.4800
1703 CA PRO 221 0.0563 21.9426 20.8600
1710 CA ALA 222 0.0262 19.0848 16.9800
1715 CA LYS 223 0.0247 18.9433 18.4000
1724 CA PHE 224 0.0345 19.8730 17.4700
1735 CA LEU 225 0.0173 18.2365 18.6700
1743 CA GLU 226 0.0103 17.5759 15.3900
1752 CA GLY 227 0.0162 18.1332 18.5600
1756 CA LEU 228 0.0181 18.3167 20.6100
1764 CA THR 229 0.0093 17.4761 17.2200
1771 CA LEU 230 0.0092 17.4701 16.3400
1779 CA ARG 231 0.0226 18.7452 21.5600
1790 CA THR 232 0.0122 17.7522 17.5300
1797 CA ASN 233 0.0079 17.3447 14.8500
1805 CA GLN 234 0.0119 17.7274 17.7900
1814 CA THR 235 0.0145 17.9687 17.9000
1821 CA PHE 236 0.0091 17.4564 14.6500
1832 CA ARG 237 0.0123 17.7639 16.7300
1843 CA ASP 238 0.0206 18.5527 15.7400
1851 CA THR 239 0.0165 18.1643 15.4600
1858 CA TYR 240 0.0116 17.7001 13.8300
1870 CA ALA 241 0.0315 19.5879 16.0000
1875 CA ALA 242 0.0582 22.1218 16.1800
1880 CA ASP 243 0.0293 19.3774 15.9000
1888 CA GLY 244 0.0336 19.7918 17.6100
1892 CA GLY 245 0.0232 18.7994 17.5200
1896 CA ARG 246 0.0288 19.3321 19.4500
1907 CA ASN 247 0.0133 17.8629 15.0800
1915 CA GLY 248 0.0120 17.7373 17.2600
1919 CA VAL 249 0.0092 17.4651 18.1000
1926 CA PHE 250 0.0089 17.4390 16.7200
1937 CA ASN 251 0.0094 17.4874 17.3500
1945 CA PHE 252 0.0103 17.5769 17.8800
1956 CA PRO 253 0.0301 19.4586 21.9000
1963 CA PRO 254 0.0492 21.2693 24.5200
1970 CA ASN 255 0.0224 18.7197 23.9200
1978 CA GLY 256 0.0137 17.8954 19.2700
1982 CA THR 257 0.0108 17.6163 16.4300
1989 CA HIS 258 0.0096 17.5102 15.6900
1999 CA SER 259 0.0109 17.6269 15.4800
2005 CA TRP 260 0.0081 17.3687 14.9400
2019 CA PRO 261 0.0136 17.8843 18.0800
2026 CA TYR 262 0.0097 17.5137 16.5500
2038 CA TRP 263 0.0064 17.2047 14.8700
2052 CA ASN 264 0.0077 17.3307 15.4600
2060 CA GLU 265 0.0102 17.5619 19.2200
2069 CA GLN 266 0.0075 17.3091 16.2600
2078 CA LEU 267 0.0078 17.3392 15.0200
2086 CA VAL 268 0.0098 17.5257 18.0800
2093 CA ALA 269 0.0105 17.5915 20.1300
2098 CA MET 270 0.0085 17.3995 17.9500
2106 CA LYS 271 0.0122 17.7514 20.6100
2115 CA ALA 272 0.0152 18.0382 23.3500
2120 CA ASP 273 0.0109 17.6314 21.3800
2128 CA ILE 274 0.0092 17.4719 19.2000
2136 CA GLN 275 0.0154 18.0576 23.9100
2145 CA HIS 276 0.0270 19.1578 27.7600
2155 CA VAL 277 0.0143 17.9576 25.6500
2162 CA LEU 278 0.0131 17.8361 24.1200
2170 CA ASN 279 0.0302 19.4684 30.3800
2178 CA GLY 280 0.0804 24.2318 40.1800

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.