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

* 1QFE_B *

B-factor analysis for ID 2409102318442993770

Overall B-factor prediction

Correlation= 0.479 for 252 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 MET 1 0.0444 31.9742 75.1100
10 CA LYS 2 0.0353 27.2243 62.6300
19 CA THR 3 0.0162 17.1844 30.4000
26 CA VAL 4 0.0150 16.5385 16.7300
33 CA THR 5 0.0170 17.6228 23.1600
40 CA VAL 6 0.0154 16.7689 26.8600
47 CA LYS 7 0.0270 22.8323 38.2600
56 CA ASN 8 0.0462 32.9302 54.8300
64 CA LEU 9 0.0178 18.0218 26.1100
72 CA ILE 10 0.0167 17.4451 19.6100
80 CA ILE 11 0.0118 14.8662 19.4800
88 CA GLY 12 0.0141 16.0945 22.4100
92 CA GLU 13 0.0267 22.6952 29.4500
101 CA GLY 14 0.0426 31.0244 19.8100
105 CA MET 15 0.0151 16.6009 15.2100
113 CA PRO 16 0.0119 14.9035 15.8200
120 CA LYS 17 0.0082 12.9843 15.0500
129 CA ILE 18 0.0076 12.6660 12.2600
137 CA ILE 19 0.0062 11.9337 12.5700
145 CA VAL 20 0.0063 11.9987 10.8400
152 CA SER 21 0.0062 11.9194 14.9800
158 CA LEU 22 0.0054 11.5190 14.5200
166 CA MET 23 0.0082 12.9916 19.1800
174 CA GLY 24 0.0100 13.9448 24.1900
178 CA ARG 25 0.0186 18.4124 27.8200
189 CA ASP 26 0.0206 19.5024 25.6600
197 CA ILE 27 0.0182 18.2328 24.3000
205 CA ASN 28 0.0317 25.2941 32.2300
213 CA SER 29 0.0208 19.5973 25.5400
219 CA VAL 30 0.0117 14.8242 18.8900
226 CA LYS 31 0.0208 19.6165 25.6400
235 CA ALA 32 0.0279 23.3231 21.2100
240 CA GLU 33 0.0140 16.0178 23.9800
249 CA ALA 34 0.0133 15.6421 21.5900
254 CA LEU 35 0.0231 20.7759 35.3200
262 CA ALA 36 0.0248 21.6898 25.9500
267 CA TYR 37 0.0140 15.9998 25.1800
279 CA ARG 38 0.0239 21.2128 38.7800
290 CA GLU 39 0.0486 34.1597 46.9000
299 CA ALA 40 0.0376 28.4029 28.3500
304 CA THR 41 0.0189 18.5910 27.5900
311 CA PHE 42 0.0115 14.7287 13.1600
322 CA ASP 43 0.0081 12.9229 13.7700
330 CA ILE 44 0.0071 12.4155 14.0100
338 CA LEU 45 0.0048 11.2031 12.9900
346 CA GLU 46 0.0045 11.0196 13.1600
355 CA TRP 47 0.0049 11.2298 12.8800
369 CA ARG 48 0.0048 11.1743 10.6400
380 CA VAL 49 0.0058 11.7203 10.0000
387 CA ASP 50 0.0073 12.5279 10.2500
395 CA HIS 51 0.0093 13.5775 11.4300
405 CA PHE 52 0.0084 13.0765 13.9000
416 CA MET 53 0.0208 19.5654 28.5200
424 CA ASP 54 0.0190 18.6664 22.4100
432 CA ILE 55 0.0127 15.3655 23.7200
440 CA ALA 56 0.0252 21.8777 15.9900
445 CA SER 57 0.0253 21.9521 11.2300
451 CA THR 58 0.0206 19.4718 12.0100
458 CA GLN 59 0.0370 28.0837 13.8600
467 CA SER 60 0.0202 19.3004 12.9100
473 CA VAL 61 0.0101 13.9761 11.8200
480 CA LEU 62 0.0122 15.0850 13.0800
488 CA THR 63 0.0166 17.3864 13.6800
495 CA ALA 64 0.0122 15.0868 13.0600
500 CA ALA 65 0.0104 14.1410 14.9400
505 CA ARG 66 0.0159 17.0078 19.9900
516 CA VAL 67 0.0135 15.7779 23.6800
523 CA ILE 68 0.0105 14.1766 20.1000
531 CA ARG 69 0.0130 15.4884 21.5700
542 CA ASP 70 0.0238 21.1670 29.9600
550 CA ALA 71 0.0178 18.0060 25.1200
555 CA MET 72 0.0155 16.8343 19.2000
563 CA PRO 73 0.0271 22.8723 26.9000
570 CA ASP 74 0.0328 25.8812 36.5800
578 CA ILE 75 0.0111 14.4808 24.6900
586 CA PRO 76 0.0101 13.9946 18.4000
593 CA LEU 77 0.0054 11.5189 13.1400
601 CA LEU 78 0.0048 11.1707 10.0000
609 CA PHE 79 0.0040 10.7700 12.0300
620 CA THR 80 0.0041 10.8371 11.6000
627 CA PHE 81 0.0052 11.4079 10.7400
638 CA ARG 82 0.0059 11.7652 10.0000
649 CA SER 83 0.0114 14.6441 12.0400
655 CA ALA 84 0.0174 17.8265 19.6200
660 CA LYS 85 0.0185 18.3929 26.7800
669 CA GLU 86 0.0119 14.9342 17.4100
678 CA GLY 87 0.0154 16.7576 15.1600
682 CA GLY 88 0.0123 15.1552 15.1300
686 CA GLU 89 0.0172 17.6961 20.3400
695 CA GLN 90 0.0169 17.5568 22.1300
704 CA THR 91 0.0281 23.4159 23.1900
711 CA ILE 92 0.0222 20.3201 16.0400
719 CA THR 93 0.0430 31.2551 22.9400
726 CA THR 94 0.0297 24.2470 22.2200
733 CA GLN 95 0.0320 25.4474 23.2600
742 CA HIS 96 0.0191 18.6871 16.7500
752 CA TYR 97 0.0102 14.0288 14.4900
764 CA LEU 98 0.0111 14.5247 12.4000
772 CA THR 99 0.0138 15.9041 17.2300
779 CA LEU 100 0.0104 14.1301 10.0000
787 CA ASN 101 0.0080 12.8625 11.0800
795 CA ARG 102 0.0104 14.1556 10.2400
806 CA ALA 103 0.0116 14.7871 11.0200
811 CA ALA 104 0.0093 13.5592 14.7000
816 CA ILE 105 0.0113 14.5958 13.0400
824 CA ASP 106 0.0194 18.8733 21.2100
832 CA SER 107 0.0270 22.8505 13.8100
838 CA GLY 108 0.0320 25.4680 18.0500
842 CA LEU 109 0.0103 14.0992 20.4200
850 CA VAL 110 0.0081 12.9389 16.6800
857 CA ASP 111 0.0069 12.2709 10.8500
865 CA MET 112 0.0061 11.8557 11.6800
873 CA ILE 113 0.0042 10.8723 14.2200
881 CA ASP 114 0.0042 10.8601 10.0000
889 CA LEU 115 0.0056 11.6365 10.0000
897 CA GLU 116 0.0060 11.8307 13.8500
906 CA LEU 117 0.0094 13.6039 16.4600
914 CA PHE 118 0.0130 15.5031 21.7500
925 CA THR 119 0.0161 17.1288 27.1300
932 CA GLY 120 0.0217 20.0532 25.7100
936 CA ASP 121 0.0285 23.6112 27.7100
944 CA ALA 122 0.0386 28.9243 26.7900
949 CA ASP 123 0.0196 18.9390 28.3000
957 CA VAL 124 0.0137 15.8838 18.5900
964 CA LYS 125 0.0197 19.0185 21.2000
973 CA ALA 126 0.0228 20.6338 16.1800
978 CA THR 127 0.0111 14.5201 15.2000
985 CA VAL 128 0.0115 14.6962 17.2700
992 CA ASP 129 0.0219 20.1858 14.0200
1000 CA TYR 130 0.0162 17.1991 13.2500
1012 CA ALA 131 0.0116 14.7877 11.4800
1017 CA HIS 132 0.0161 17.1137 12.5200
1027 CA ALA 133 0.0309 24.9019 15.7300
1032 CA HIS 134 0.0259 22.2436 18.8700
1042 CA ASN 135 0.0325 25.7413 17.5300
1050 CA VAL 136 0.0132 15.6078 12.9000
1057 CA TYR 137 0.0072 12.4400 10.8300
1069 CA VAL 138 0.0067 12.2038 10.4800
1076 CA VAL 139 0.0053 11.4440 11.0500
1083 CA MET 140 0.0051 11.3380 10.9600
1091 CA SER 141 0.0060 11.8146 10.0000
1097 CA ASN 142 0.0062 11.9228 11.7400
1105 CA HIS 143 0.0079 12.8339 10.0000
1115 CA ASP 144 0.0104 14.1421 10.4700
1123 CA PHE 145 0.0170 17.5928 14.2000
1134 CA HIS 146 0.0314 25.1310 22.1800
1144 CA GLN 147 0.0197 19.0363 22.7400
1153 CA THR 148 0.0148 16.4441 16.4400
1160 CA PRO 149 0.0212 19.8224 14.9400
1167 CA SER 150 0.0279 23.3207 15.8900
1173 CA ALA 151 0.0236 21.0808 18.0200
1178 CA GLU 152 0.0313 25.1087 15.8600
1187 CA GLU 153 0.0210 19.6725 20.8400
1196 CA MET 154 0.0121 15.0079 11.8300
1204 CA VAL 155 0.0129 15.4534 13.5400
1211 CA SER 156 0.0164 17.2836 16.5700
1217 CA ARG 157 0.0087 13.2332 15.2600
1228 CA LEU 158 0.0080 12.8487 12.1300
1236 CA ARG 159 0.0117 14.7905 16.9300
1247 CA LYS 160 0.0131 15.5752 16.2100
1256 CA MET 161 0.0081 12.9447 10.0000
1264 CA GLN 162 0.0091 13.4541 19.0700
1273 CA ALA 163 0.0181 18.1657 19.0000
1278 CA LEU 164 0.0150 16.5473 18.6800
1286 CA GLY 165 0.0117 14.8367 10.0000
1290 CA ALA 166 0.0089 13.3440 10.0000
1295 CA ASP 167 0.0072 12.4377 10.2900
1303 CA ILE 168 0.0069 12.2848 10.0000
1311 CA PRO 169 0.0051 11.3400 10.0000
1318 CA LYS 170 0.0047 11.1502 10.0000
1327 CA ILE 171 0.0056 11.6253 10.0000
1335 CA ALA 172 0.0061 11.8959 10.4500
1340 CA VAL 173 0.0089 13.3670 11.4800
1347 CA MET 174 0.0110 14.4391 13.4200
1355 CA PRO 175 0.0158 16.9715 16.7200
1362 CA GLN 176 0.0320 25.4735 24.3100
1371 CA SER 177 0.0485 34.1478 21.5900
1377 CA LYS 178 0.0421 30.7851 16.2800
1386 CA HIS 179 0.0449 32.2601 20.3300
1396 CA ASP 180 0.0193 18.8138 12.0400
1404 CA VAL 181 0.0137 15.8477 10.0000
1411 CA LEU 182 0.0223 20.3926 12.4300
1419 CA THR 183 0.0136 15.8036 11.9300
1426 CA LEU 184 0.0088 13.2849 11.6300
1434 CA LEU 185 0.0109 14.4146 15.3800
1442 CA THR 186 0.0136 15.8000 16.6900
1449 CA ALA 187 0.0111 14.5080 13.2000
1454 CA THR 188 0.0092 13.5266 10.0000
1461 CA LEU 189 0.0164 17.2958 18.4000
1469 CA GLU 190 0.0161 17.1174 13.3400
1483 CA MET 191 0.0112 14.5358 13.4300
1491 CA GLN 192 0.0145 16.2597 25.7400
1500 CA GLN 193 0.0361 27.6327 32.0600
1509 CA HIS 194 0.0356 27.3712 36.3900
1519 CA TYR 195 0.0195 18.9311 31.0600
1531 CA ALA 196 0.0184 18.3247 20.1800
1536 CA ASP 197 0.0208 19.5945 24.6700
1544 CA ARG 198 0.0135 15.7400 18.5400
1555 CA PRO 199 0.0080 12.8755 12.9300
1562 CA VAL 200 0.0062 11.9074 11.0800
1569 CA ILE 201 0.0049 11.2254 10.1800
1577 CA THR 202 0.0049 11.2516 11.1300
1584 CA MET 203 0.0058 11.6983 10.0000
1592 CA SER 204 0.0071 12.4166 10.0000
1598 CA MET 205 0.0099 13.8829 13.7600
1606 CA ALA 206 0.0145 16.3001 15.9300
1611 CA LYS 207 0.0470 33.3482 24.0500
1620 CA GLU 208 0.0256 22.0883 19.3500
1629 CA GLY 209 0.0123 15.1268 10.0000
1633 CA VAL 210 0.0138 15.9356 11.9600
1640 CA ILE 211 0.0156 16.8776 10.5200
1648 CA SER 212 0.0093 13.5394 12.7000
1654 CA ARG 213 0.0084 13.0795 13.1500
1665 CA LEU 214 0.0115 14.7132 12.5500
1673 CA ALA 215 0.0135 15.7488 11.5100
1678 CA GLY 216 0.0118 14.8614 10.0700
1682 CA GLU 217 0.0161 17.1316 16.1600
1691 CA VAL 218 0.0282 23.4553 17.2000
1698 CA PHE 219 0.0138 15.9045 15.6500
1709 CA GLY 220 0.0133 15.6629 19.0400
1713 CA SER 221 0.0077 12.6960 10.0000
1719 CA ALA 222 0.0077 12.7228 10.0000
1724 CA ALA 223 0.0067 12.2069 11.8100
1729 CA THR 224 0.0061 11.8748 12.3800
1736 CA PHE 225 0.0068 12.2660 10.0000
1747 CA GLY 226 0.0077 12.7222 11.6500
1751 CA ALA 227 0.0129 15.4524 17.1700
1756 CA VAL 228 0.0144 16.2091 21.9700
1763 CA LYS 229 0.0341 26.5681 39.3100
1772 CA GLN 230 0.0305 24.6840 32.7400
1781 CA ALA 231 0.0161 17.1426 23.1700
1786 CA SER 232 0.0129 15.4670 12.8600
1792 CA ALA 233 0.0239 21.2358 12.8700
1797 CA PRO 234 0.0208 19.5835 12.4800
1804 CA GLY 235 0.0144 16.2324 11.8300
1808 CA GLN 236 0.0110 14.4629 15.3400
1817 CA ILE 237 0.0179 18.0481 13.0200
1825 CA ALA 238 0.0186 18.4137 16.4900
1830 CA VAL 239 0.0135 15.7769 21.5000
1837 CA ASN 240 0.0257 22.1869 26.0200
1845 CA ASP 241 0.0308 24.8382 16.0000
1853 CA LEU 242 0.0152 16.6738 14.7100
1861 CA ARG 243 0.0188 18.5175 15.4900
1872 CA SER 244 0.0282 23.4927 21.4400
1878 CA VAL 245 0.0220 20.2227 11.9800
1885 CA LEU 246 0.0157 16.8999 14.8300
1893 CA MET 247 0.0346 26.8325 18.0300
1901 CA ILE 248 0.0517 35.8214 14.0600
1909 CA LEU 249 0.0353 27.1917 13.7100
1917 CA HIS 250 0.0400 29.6477 18.0100
1927 CA ASN 251 0.1086 65.6820 30.3200
1935 CA ALA 252 0.1964 111.7639 32.1600

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.