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

* CALCIUM-BINDING PROTEIN 18-OCT-95 1CFD *

B-factor analysis for ID 2402110755322363397

Overall B-factor prediction

Correlation= 0.455 for 148 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 ALA 1 0.0484 0.6055 2.3200
14 CA ASP 2 0.0422 0.4977 1.5600
26 CA GLN 3 0.0524 0.6746 0.6500
43 CA LEU 4 0.0457 0.5579 0.4000
62 CA THR 5 0.0627 0.8513 0.4900
76 CA GLU 6 0.0755 1.0703 0.4800
91 CA GLU 7 0.0715 1.0021 0.4200
106 CA GLN 8 0.0460 0.5635 0.3400
123 CA ILE 9 0.0382 0.4288 0.3000
142 CA ALA 10 0.0506 0.6422 0.3300
152 CA GLU 11 0.0473 0.5854 0.3000
167 CA PHE 12 0.0256 0.2134 0.2100
187 CA LYS 13 0.0295 0.2805 0.2200
209 CA GLU 14 0.0446 0.5393 0.2200
224 CA ALA 15 0.0333 0.3453 0.1700
234 CA PHE 16 0.0195 0.1082 0.1400
254 CA SER 17 0.0342 0.3600 0.2000
265 CA LEU 18 0.0464 0.5712 0.1600
284 CA PHE 19 0.0361 0.3932 0.1400
304 CA ASP 20 0.0381 0.4277 0.1900
316 CA LYS 21 0.0746 1.0559 0.3800
338 CA ASP 22 0.0744 1.0518 0.3900
350 CA GLY 23 0.0974 1.4472 0.3400
357 CA ASP 24 0.0753 1.0667 0.3300
369 CA GLY 25 0.0374 0.4160 0.2600
376 CA THR 26 0.0231 0.1697 0.2000
390 CA ILE 27 0.0189 0.0974 0.1500
409 CA THR 28 0.0244 0.1923 0.1700
423 CA THR 29 0.0202 0.1200 0.1400
437 CA LYS 30 0.0379 0.4246 0.1900
459 CA GLU 31 0.0279 0.2522 0.1500
474 CA LEU 32 0.0134 0.0023 0.1500
493 CA GLY 33 0.0244 0.1930 0.2000
500 CA THR 34 0.0361 0.3930 0.1800
514 CA VAL 35 0.0223 0.1555 0.1600
530 CA MET 36 0.0209 0.1313 0.2000
547 CA ARG 37 0.0435 0.5213 0.2300
571 CA SER 38 0.0487 0.6100 0.2400
582 CA LEU 39 0.0459 0.5620 0.2300
601 CA GLY 40 0.0751 1.0649 0.2600
608 CA GLN 41 0.0458 0.5610 0.2700
625 CA ASN 42 0.0570 0.7537 0.3000
639 CA PRO 43 0.0411 0.4802 0.2800
653 CA THR 44 0.0673 0.9295 0.3400
667 CA GLU 45 0.0648 0.8863 0.3300
682 CA ALA 46 0.0662 0.9116 0.3600
692 CA GLU 47 0.0412 0.4815 0.3400
707 CA LEU 48 0.0258 0.2168 0.2500
726 CA GLN 49 0.0403 0.4662 0.2600
743 CA ASP 50 0.0433 0.5167 0.2900
755 CA MET 51 0.0215 0.1422 0.4000
772 CA ILE 52 0.0235 0.1772 0.3900
791 CA ASN 53 0.0476 0.5914 0.4000
805 CA GLU 54 0.0439 0.5270 0.4900
820 CA VAL 55 0.0252 0.2064 0.6500
836 CA ASP 56 0.0415 0.4866 0.6000
848 CA ALA 57 0.0796 1.1420 0.8600
858 CA ASP 58 0.0939 1.3881 1.0500
870 CA GLY 59 0.1085 1.6379 0.9100
877 CA ASN 60 0.0827 1.1955 0.9900
891 CA GLY 61 0.0402 0.4641 0.2500
898 CA THR 62 0.0246 0.1952 0.2100
912 CA ILE 63 0.0112 -0.0349 0.2000
931 CA ASP 64 0.0156 0.0417 0.2300
943 CA PHE 65 0.0142 0.0170 0.2200
963 CA PRO 66 0.0229 0.1665 0.2800
977 CA GLU 67 0.0149 0.0295 0.2900
992 CA PHE 68 0.0062 -0.1204 0.2500
1012 CA LEU 69 0.0143 0.0187 0.2400
1031 CA THR 70 0.0184 0.0893 0.3200
1045 CA MET 71 0.0104 -0.0484 0.5000
1062 CA MET 72 0.0153 0.0362 0.4800
1079 CA ALA 73 0.0255 0.2109 0.3300
1089 CA ARG 74 0.0271 0.2394 0.4400
1113 CA LYS 75 0.0267 0.2323 0.5300
1135 CA MET 76 0.0337 0.3528 0.5300
1152 CA LYS 77 0.0438 0.5255 1.4900
1174 CA ASP 78 0.0631 0.8582 1.4400
1186 CA THR 79 0.0506 0.6421 0.9700
1200 CA ASP 80 0.0458 0.5604 0.6700
1212 CA SER 81 0.0386 0.4366 0.5400
1223 CA GLU 82 0.0285 0.2620 0.5800
1238 CA GLU 83 0.0383 0.4314 0.5900
1253 CA GLU 84 0.0379 0.4238 0.5000
1268 CA ILE 85 0.0208 0.1302 0.4500
1287 CA ARG 86 0.0190 0.0988 0.5600
1311 CA GLU 87 0.0352 0.3784 0.7000
1326 CA ALA 88 0.0291 0.2733 0.5300
1336 CA PHE 89 0.0156 0.0412 0.3900
1356 CA ARG 90 0.0299 0.2870 0.4900
1380 CA VAL 91 0.0433 0.5164 0.3700
1396 CA PHE 92 0.0295 0.2793 0.2300
1416 CA ASP 93 0.0332 0.3438 0.5400
1428 CA LYS 94 0.0680 0.9417 1.3400
1450 CA ASP 95 0.0826 1.1937 1.3000
1462 CA GLY 96 0.0712 0.9967 1.8500
1469 CA ASN 97 0.0679 0.9410 1.4700
1483 CA GLY 98 0.0358 0.3876 1.0200
1490 CA TYR 99 0.0279 0.2525 0.4100
1511 CA ILE 100 0.0224 0.1578 0.2900
1530 CA SER 101 0.0302 0.2925 0.3100
1541 CA ALA 102 0.0221 0.1535 0.2500
1551 CA ALA 103 0.0346 0.3671 0.3200
1561 CA GLU 104 0.0265 0.2279 0.3100
1576 CA LEU 105 0.0123 -0.0161 0.2600
1595 CA ARG 106 0.0228 0.1641 0.3100
1619 CA HIS 107 0.0353 0.3797 0.2900
1636 CA VAL 108 0.0232 0.1711 0.2300
1652 CA MET 109 0.0234 0.1751 0.2500
1669 CA THR 110 0.0479 0.5958 0.3300
1683 CA ASN 111 0.0624 0.8450 0.4600
1697 CA LEU 112 0.0525 0.6755 0.5200
1716 CA GLY 113 0.0947 1.4004 0.9900
1723 CA GLU 114 0.0607 0.8172 0.7000
1738 CA LYS 115 0.0950 1.4059 0.8400
1760 CA LEU 116 0.0573 0.7578 0.4900
1779 CA THR 117 0.0830 1.2003 0.4700
1793 CA ASP 118 0.0704 0.9827 0.4100
1805 CA GLU 119 0.0805 1.1563 0.3400
1820 CA GLU 120 0.0541 0.7024 0.3100
1835 CA VAL 121 0.0326 0.3335 0.2800
1851 CA ASP 122 0.0491 0.6166 0.3000
1863 CA GLU 123 0.0490 0.6157 0.3300
1878 CA MET 124 0.0260 0.2193 0.2800
1895 CA ILE 125 0.0290 0.2718 0.2800
1914 CA ARG 126 0.0564 0.7434 0.3800
1938 CA GLU 127 0.0530 0.6842 0.4700
1953 CA ALA 128 0.0310 0.3056 0.3400
1963 CA ASP 129 0.0584 0.7765 0.4000
1975 CA ILE 130 0.0385 0.4339 0.3800
1994 CA ASP 131 0.0830 1.1997 0.6200
2006 CA GLY 132 0.1696 2.6887 2.0800
2013 CA ASP 133 0.1146 1.7440 1.4100
2025 CA GLY 134 0.0682 0.9457 0.5000
2032 CA GLN 135 0.0396 0.4542 0.3100
2049 CA VAL 136 0.0228 0.1645 0.3600
2065 CA ASN 137 0.0169 0.0629 0.6300
2079 CA TYR 138 0.0066 -0.1134 0.5500
2100 CA GLU 139 0.0139 0.0124 0.5700
2115 CA GLU 140 0.0150 0.0299 0.3800
2130 CA PHE 141 0.0061 -0.1221 0.2600
2150 CA VAL 142 0.0084 -0.0834 0.4100
2166 CA GLN 143 0.0168 0.0614 0.5600
2183 CA MET 144 0.0163 0.0526 0.4400
2200 CA MET 145 0.0173 0.0707 0.4100
2217 CA THR 146 0.0266 0.2297 0.6400
2231 CA ALA 147 0.0441 0.5308 0.9700
2241 CA LYS 148 0.0472 0.5846 3.0600

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.