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* libre *

B-factor analysis for ID 2404011910201888427

Overall B-factor prediction

Correlation= 0.596 for 270 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 SER 1 0.1092 59.8546 90.3200
8 CA ASN 2 0.0569 41.5826 86.7500
16 CA VAL 3 0.0449 37.4208 77.3500
23 CA PRO 4 0.0415 36.2321 61.7300
30 CA HIS 5 0.0256 30.6594 39.6600
40 CA LYS 6 0.0288 31.7916 31.3800
49 CA SER 7 0.0294 31.9840 30.7500
55 CA SER 8 0.0346 33.8015 35.4700
61 CA LEU 9 0.0376 34.8552 35.0500
69 CA PRO 10 0.0711 46.5617 43.0500
76 CA GLU 11 0.0912 53.5545 44.3200
85 CA GLY 12 0.0385 35.1690 33.9600
89 CA ILE 13 0.0182 28.0839 35.2600
97 CA ARG 14 0.0165 27.4952 36.3400
108 CA PRO 15 0.0135 26.4349 26.8000
115 CA GLY 16 0.0123 26.0300 23.9800
119 CA THR 17 0.0121 25.9512 28.3400
126 CA VAL 18 0.0118 25.8347 25.0200
133 CA LEU 19 0.0114 25.7216 22.5900
141 CA ARG 20 0.0119 25.8982 24.2900
152 CA ILE 21 0.0124 26.0555 20.8200
160 CA ARG 22 0.0162 27.3862 18.4800
171 CA GLY 23 0.0257 30.7091 18.2200
175 CA LEU 24 0.0274 31.2850 18.9300
183 CA VAL 25 0.0261 30.8462 20.3300
190 CA PRO 26 0.0388 35.2627 22.5000
197 CA PRO 27 0.0763 48.3551 31.8900
204 CA ASN 28 0.0791 49.3302 37.2100
212 CA ALA 29 0.0368 34.5717 24.2200
217 CA SER 30 0.0358 34.2248 24.3100
223 CA ARG 31 0.0186 28.2336 20.1800
234 CA PHE 32 0.0142 26.6869 16.4200
245 CA HIS 33 0.0089 24.8469 18.6500
255 CA VAL 34 0.0075 24.3303 20.1200
262 CA ASN 35 0.0078 24.4345 18.6600
270 CA LEU 36 0.0082 24.5918 21.3400
278 CA LEU 37 0.0149 26.9364 21.7900
286 CA CYS 38 0.0207 28.9541 27.2800
292 CA GLY 39 0.0433 36.8510 26.6800
296 CA GLU 40 0.0584 42.1108 29.2100
305 CA GLU 41 0.1277 66.3103 34.6600
314 CA GLN 42 0.2052 93.3743 41.9800
323 CA GLY 43 0.1074 59.2166 34.3800
327 CA SER 44 0.0461 37.8067 27.9900
333 CA ASP 45 0.0246 30.3125 22.8300
341 CA ALA 46 0.0150 26.9673 22.9600
346 CA ALA 47 0.0099 25.1940 18.5400
351 CA LEU 48 0.0067 24.0521 19.8400
359 CA HIS 49 0.0077 24.4143 17.6300
369 CA PHE 50 0.0061 23.8525 18.4700
380 CA ASN 51 0.0097 25.1309 17.6100
388 CA PRO 52 0.0115 25.7295 17.7100
395 CA ARG 53 0.0193 28.4707 18.5600
406 CA LEU 54 0.0272 31.2230 22.3200
414 CA ASP 55 0.0503 39.2809 20.8000
422 CA THR 56 0.0544 40.7209 21.9900
429 CA SER 57 0.0401 35.7348 24.0300
435 CA GLU 58 0.0276 31.3630 22.9300
444 CA VAL 59 0.0141 26.6515 19.7200
451 CA VAL 60 0.0132 26.3252 22.0700
458 CA PHE 61 0.0097 25.1116 19.1500
469 CA ASN 62 0.0125 26.0826 17.2500
477 CA SER 63 0.0160 27.3104 21.3800
483 CA LYS 64 0.0224 29.5318 24.6700
492 CA GLU 65 0.0407 35.9437 37.6700
501 CA GLN 66 0.0867 52.0044 44.3200
510 CA GLY 67 0.0789 49.2581 32.6700
514 CA SER 68 0.0772 48.6856 28.6400
520 CA TRP 69 0.0394 35.4751 25.8500
534 CA GLY 70 0.0419 36.3597 20.8700
538 CA ARG 71 0.0456 37.6525 22.3700
549 CA GLU 72 0.0264 30.9561 21.4900
558 CA GLU 73 0.0196 28.5870 20.7500
567 CA ARG 74 0.0216 29.2725 20.5400
578 CA GLY 75 0.0212 29.1162 23.7900
582 CA PRO 76 0.0350 33.9645 25.3400
589 CA GLY 77 0.0352 34.0034 29.5200
593 CA VAL 78 0.0295 32.0121 24.6500
600 CA PRO 79 0.0263 30.9130 24.4300
607 CA PHE 80 0.0240 30.1064 26.6900
618 CA GLN 81 0.0466 37.9999 30.9900
627 CA ARG 82 0.0420 36.3958 28.5200
638 CA GLY 83 0.0600 42.6706 23.1400
642 CA GLN 84 0.0553 41.0284 22.5300
651 CA PRO 85 0.0377 34.9012 24.7100
658 CA PHE 86 0.0258 30.7413 20.5900
669 CA GLU 87 0.0148 26.8844 24.4600
678 CA VAL 88 0.0121 25.9357 24.4700
685 CA LEU 89 0.0099 25.1676 21.2800
693 CA ILE 90 0.0090 24.8860 22.0200
701 CA ILE 91 0.0106 25.4207 20.5800
709 CA ALA 92 0.0109 25.5165 26.2500
714 CA SER 93 0.0139 26.5970 30.5000
720 CA ASP 94 0.0183 28.1142 34.6400
728 CA ASP 95 0.0252 30.5133 30.6100
736 CA GLY 96 0.0155 27.1363 26.0100
740 CA PHE 97 0.0094 25.0087 20.6100
751 CA LYS 98 0.0112 25.6283 22.2500
760 CA ALA 99 0.0111 25.5984 22.6100
765 CA VAL 100 0.0127 26.1606 22.8800
772 CA VAL 101 0.0153 27.0822 27.5400
779 CA GLY 102 0.0217 29.3051 35.7500
783 CA ASP 103 0.0231 29.7898 35.8000
791 CA ALA 104 0.0251 30.4888 32.0900
796 CA GLN 105 0.0211 29.0794 30.0300
805 CA TYR 106 0.0161 27.3477 24.8500
817 CA HIS 107 0.0180 28.0159 25.4200
827 CA HIS 108 0.0154 27.1142 23.6500
837 CA PHE 109 0.0132 26.3451 23.1300
848 CA ARG 110 0.0184 28.1423 27.2200
859 CA HIS 111 0.0157 27.2050 24.3200
869 CA ARG 112 0.0177 27.9188 27.6200
880 CA LEU 113 0.0215 29.2380 31.1100
888 CA PRO 114 0.0282 31.5618 30.7200
895 CA LEU 115 0.0168 27.6046 33.3600
903 CA ALA 116 0.0249 30.4140 36.1100
908 CA ARG 117 0.0249 30.4044 29.2900
919 CA VAL 118 0.0174 27.7942 22.0500
926 CA ARG 119 0.0228 29.7016 24.3500
937 CA LEU 120 0.0195 28.5509 22.2100
945 CA VAL 121 0.0135 26.4561 20.7700
952 CA GLU 122 0.0137 26.5191 20.3100
961 CA VAL 123 0.0135 26.4401 21.8900
968 CA GLY 124 0.0171 27.6802 20.4300
972 CA GLY 125 0.0230 29.7611 21.6300
976 CA ASP 126 0.0241 30.1383 23.8900
984 CA VAL 127 0.0218 29.3421 21.4300
991 CA GLN 128 0.0285 31.6848 20.0600
1000 CA LEU 129 0.0235 29.9321 24.9200
1008 CA ASP 130 0.0338 33.5119 22.3000
1016 CA SER 131 0.0221 29.4501 21.8100
1022 CA VAL 132 0.0181 28.0632 21.3500
1029 CA ARG 133 0.0170 27.6750 25.4800
1040 CA ILE 134 0.0164 27.4395 25.4600
1048 CA PHE 135 0.0148 26.8801 25.4200
1060 CA SER 1 0.3964 160.1393 82.7300
1066 CA ASN 2 0.1369 69.5193 76.0400
1074 CA VAL 3 0.1125 61.0059 60.0100
1081 CA PRO 4 0.0419 36.3425 43.0600
1088 CA HIS 5 0.0291 31.8807 31.6300
1098 CA LYS 6 0.0272 31.2174 28.7600
1107 CA SER 7 0.0281 31.5499 30.6400
1113 CA SER 8 0.0329 33.2118 34.9700
1119 CA LEU 9 0.0365 34.4654 42.2500
1127 CA PRO 10 0.0795 49.4782 54.5700
1134 CA GLU 11 0.1113 60.5740 60.1600
1143 CA GLY 12 0.0421 36.4311 51.5900
1147 CA ILE 13 0.0181 28.0402 39.9800
1155 CA ARG 14 0.0192 28.4240 35.7200
1166 CA PRO 15 0.0135 26.4425 29.3200
1173 CA GLY 16 0.0129 26.2363 25.5900
1177 CA THR 17 0.0129 26.2202 25.0400
1184 CA VAL 18 0.0124 26.0394 23.9200
1191 CA LEU 19 0.0123 26.0303 22.7900
1199 CA ARG 20 0.0130 26.2637 25.4000
1210 CA ILE 21 0.0133 26.3692 28.4100
1218 CA ARG 22 0.0175 27.8416 30.6000
1229 CA GLY 23 0.0277 31.3912 33.3100
1233 CA LEU 24 0.0301 32.2280 40.5600
1241 CA VAL 25 0.0282 31.5884 43.1800
1248 CA PRO 26 0.0409 36.0014 49.1800
1255 CA PRO 27 0.0752 47.9716 50.2600
1262 CA ASN 28 0.0814 50.1513 52.9800
1270 CA ALA 29 0.0373 34.7445 46.0400
1275 CA SER 30 0.0363 34.4175 40.4800
1281 CA ARG 31 0.0195 28.5374 37.5500
1292 CA PHE 32 0.0149 26.9318 30.4700
1303 CA HIS 33 0.0094 24.9919 29.9800
1313 CA VAL 34 0.0076 24.3839 22.3800
1320 CA ASN 35 0.0076 24.3711 23.5300
1328 CA LEU 36 0.0081 24.5392 24.6800
1336 CA LEU 37 0.0142 26.6819 26.1900
1344 CA CYS 38 0.0203 28.8128 33.1400
1350 CA GLY 39 0.0424 36.5300 37.1000
1354 CA GLU 40 0.0533 40.3423 45.2300
1363 CA GLU 41 0.1162 62.2918 53.7000
1372 CA GLN 42 0.1665 79.8553 54.6500
1381 CA GLY 43 0.1037 57.9165 50.3400
1385 CA SER 44 0.0481 38.5202 42.1600
1391 CA ASP 45 0.0240 30.1219 38.5900
1399 CA ALA 46 0.0147 26.8531 33.6800
1404 CA ALA 47 0.0099 25.1859 30.4700
1409 CA LEU 48 0.0067 24.0548 28.0300
1417 CA HIS 49 0.0078 24.4514 28.5300
1427 CA PHE 50 0.0063 23.9130 30.1500
1438 CA ASN 51 0.0100 25.2320 32.0800
1446 CA PRO 52 0.0120 25.9098 36.8300
1453 CA ARG 53 0.0197 28.6223 38.3900
1464 CA LEU 54 0.0282 31.5859 42.1900
1472 CA ASP 55 0.0512 39.6164 51.7900
1480 CA THR 56 0.0533 40.3286 51.7900
1487 CA SER 57 0.0413 36.1535 53.2900
1493 CA GLU 58 0.0285 31.6861 50.4600
1502 CA VAL 59 0.0145 26.7811 41.8400
1509 CA VAL 60 0.0136 26.4865 36.3000
1516 CA PHE 61 0.0098 25.1498 34.2500
1527 CA ASN 62 0.0124 26.0738 35.8500
1535 CA SER 63 0.0163 27.4114 37.6200
1541 CA LYS 64 0.0226 29.6279 40.7800
1550 CA GLU 65 0.0431 36.7842 50.6200
1559 CA GLN 66 0.0850 51.4000 60.0500
1568 CA GLY 67 0.0780 48.9696 58.6000
1572 CA SER 68 0.0814 50.1393 56.9800
1578 CA TRP 69 0.0400 35.6973 55.4100
1592 CA GLY 70 0.0433 36.8585 45.5600
1596 CA ARG 71 0.0404 35.8461 49.6900
1607 CA GLU 72 0.0257 30.7155 46.1000
1616 CA GLU 73 0.0204 28.8460 39.7000
1625 CA ARG 74 0.0219 29.3605 43.3700
1636 CA GLY 75 0.0217 29.3017 44.0500
1640 CA PRO 76 0.0374 34.8012 44.5300
1647 CA GLY 77 0.0377 34.8856 44.5000
1651 CA VAL 78 0.0301 32.2264 40.8100
1658 CA PRO 79 0.0256 30.6719 40.5400
1665 CA PHE 80 0.0246 30.3016 42.0000
1676 CA GLN 81 0.0529 40.2071 49.4100
1685 CA ARG 82 0.0444 37.2245 47.9300
1696 CA GLY 83 0.0623 43.4732 47.9700
1700 CA GLN 84 0.0583 42.0665 45.7200
1709 CA PRO 85 0.0404 35.8182 40.1400
1716 CA PHE 86 0.0270 31.1689 36.0700
1727 CA GLU 87 0.0150 26.9582 34.1700
1736 CA VAL 88 0.0124 26.0723 30.9800
1743 CA LEU 89 0.0099 25.1883 26.7300
1751 CA ILE 90 0.0091 24.9136 25.1400
1759 CA ILE 91 0.0105 25.3943 24.1400
1767 CA ALA 92 0.0109 25.5264 23.8900
1772 CA SER 93 0.0135 26.4350 31.4000
1778 CA ASP 94 0.0190 28.3489 36.6000
1786 CA ASP 95 0.0229 29.7210 36.1900
1794 CA GLY 96 0.0151 27.0160 28.2000
1798 CA PHE 97 0.0094 24.9956 24.1600
1809 CA LYS 98 0.0109 25.5367 28.3300
1818 CA ALA 99 0.0104 25.3534 23.9100
1823 CA VAL 100 0.0120 25.9337 24.0300
1830 CA VAL 101 0.0148 26.8793 31.7900
1837 CA GLY 102 0.0192 28.4271 44.5800
1841 CA ASP 103 0.0226 29.6049 44.9900
1849 CA ALA 104 0.0233 29.8603 39.0000
1854 CA GLN 105 0.0188 28.2798 40.0100
1863 CA TYR 106 0.0149 26.9243 32.5600
1875 CA HIS 107 0.0171 27.6809 32.9400
1885 CA HIS 108 0.0153 27.0688 33.1100
1895 CA PHE 109 0.0141 26.6538 29.3400
1906 CA ARG 110 0.0199 28.6646 29.7200
1917 CA HIS 111 0.0152 27.0440 31.3900
1927 CA ARG 112 0.0170 27.6584 35.1800
1938 CA LEU 113 0.0213 29.1626 36.2500
1946 CA PRO 114 0.0270 31.1434 35.5100
1953 CA LEU 115 0.0176 27.8837 37.2500
1961 CA ALA 116 0.0253 30.5500 37.4900
1966 CA ARG 117 0.0251 30.4914 34.6400
1977 CA VAL 118 0.0167 27.5440 31.1500
1984 CA ARG 119 0.0221 29.4474 31.0700
1995 CA LEU 120 0.0184 28.1455 29.6900
2003 CA VAL 121 0.0129 26.2210 28.7600
2010 CA GLU 122 0.0130 26.2610 26.5900
2019 CA VAL 123 0.0135 26.4466 27.2700
2026 CA GLY 124 0.0167 27.5506 28.1700
2030 CA GLY 125 0.0261 30.8418 30.7900
2034 CA ASP 126 0.0258 30.7289 33.6200
2042 CA VAL 127 0.0234 29.9054 34.9300
2049 CA GLN 128 0.0338 33.5186 41.6900
2058 CA LEU 129 0.0266 31.0274 40.0900
2066 CA ASP 130 0.0404 35.8272 42.3200
2074 CA SER 131 0.0249 30.4380 34.4000
2080 CA VAL 132 0.0193 28.4739 30.6800
2087 CA ARG 133 0.0179 27.9734 28.5300
2098 CA ILE 134 0.0175 27.8442 29.6900
2106 CA PHE 135 0.0159 27.2623 29.4200

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.