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

* Practical_lesson_jeandi *

B-factor analysis for ID 22012513052293587

Overall B-factor prediction

Correlation= 0.625 for 160 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 GLN -7 34.3057 47.5797 31.6800
7 CA GLN -6 14.5939 27.8073 25.6300
12 CA MET -5 6.7520 19.9414 19.1600
13 CA MET -5 6.6027 19.7916 20.9500
25 CA GLY -4 2.7574 15.9344 20.9300
29 CA ARG -3 0.6975 13.8682 20.7600
40 CA GLY -2 0.6485 13.8190 19.4400
44 CA SER -1 0.1607 13.3298 18.6700
51 CA MET 0 0.1036 13.2725 16.8900
52 CA MET 0 0.1047 13.2736 16.9400
67 CA CYS 1 0.0607 13.2295 19.0600
68 CA CYS 1 0.0624 13.2311 19.0900
78 CA ASP 2 0.0791 13.2480 16.5800
86 CA ALA 3 0.0601 13.2289 16.1800
91 CA PHE 4 0.0415 13.2102 12.6300
102 CA VAL 5 0.0595 13.2283 12.0100
109 CA GLY 6 0.0635 13.2323 13.2000
113 CA THR 7 0.0580 13.2267 12.5300
120 CA TRP 8 0.0392 13.2079 11.9500
134 CA LYS 9 0.0386 13.2073 12.4200
143 CA LEU 10 0.0282 13.1968 12.7600
151 CA VAL 11 0.0379 13.2065 14.0000
158 CA SER 12 0.0371 13.2057 15.2900
165 CA SER 13 0.0270 13.1956 14.7600
166 CA SER 13 0.0276 13.1962 12.3400
177 CA GLU 14 0.0359 13.2046 14.8000
178 CA GLU 14 0.0338 13.2025 12.6000
195 CA ASN 15 0.0329 13.2015 10.5700
196 CA ASN 15 0.0316 13.2003 10.8200
210 CA PHE 16 0.0212 13.1899 11.3200
221 CA ASP 17 0.0339 13.2026 11.9500
229 CA ASP 18 0.0368 13.2055 12.6000
237 CA TYR 19 0.0199 13.1886 11.0400
249 CA MET 20 0.0213 13.1900 11.2400
257 CA LYS 21 0.0382 13.2069 13.2100
266 CA GLU 22 0.0377 13.2064 13.8600
275 CA VAL 23 0.0255 13.1942 13.2600
282 CA GLY 24 0.0409 13.2096 13.4800
286 CA VAL 25 0.0363 13.2050 11.7300
293 CA GLY 26 0.0711 13.2399 14.6600
297 CA PHE 27 0.0896 13.2585 13.4400
308 CA ALA 28 0.0948 13.2637 13.9100
313 CA THR 29 0.0444 13.2131 13.2100
320 CA ARG 30 0.0370 13.2056 12.5700
331 CA LYS 31 0.0615 13.2303 12.7600
340 CA VAL 32 0.0539 13.2227 12.3900
347 CA ALA 33 0.0330 13.2017 13.3900
352 CA GLY 34 0.0370 13.2057 14.1400
356 CA MET 35 0.0604 13.2291 12.4400
364 CA ALA 36 0.0386 13.2073 13.5200
369 CA LYS 37 0.0411 13.2097 14.2300
379 CA PRO 38 0.0341 13.2028 12.2800
380 CA PRO 38 0.0337 13.2024 12.6700
393 CA ASN 39 0.0412 13.2099 14.1800
394 CA ASN 39 0.0372 13.2059 12.8400
409 CA MET 40 0.0335 13.2022 14.0900
410 CA MET 40 0.0320 13.2007 11.0500
424 CA ILE 41 0.0485 13.2172 12.3200
432 CA ILE 42 0.0482 13.2169 11.0100
440 CA SER 43 0.0741 13.2429 11.8200
446 CA VAL 44 0.0933 13.2621 14.0900
453 CA ASN 45 0.1767 13.3458 13.6800
461 CA GLY 46 0.2418 13.4111 14.4000
465 CA ASP 47 0.1748 13.3439 14.4400
473 CA VAL 48 0.0993 13.2681 11.1000
480 CA ILE 49 0.0647 13.2335 10.7900
488 CA THR 50 0.0605 13.2293 11.2500
495 CA ILE 51 0.0399 13.2086 11.3900
503 CA LYS 52 0.0435 13.2122 12.9800
512 CA SER 53 0.0373 13.2059 14.0700
518 CA GLU 54 0.0459 13.2146 14.1100
527 CA SER 55 0.0488 13.2175 14.1900
533 CA THR 56 0.0776 13.2464 13.6600
540 CA PHE 57 0.0466 13.2153 15.3000
551 CA LYS 58 0.0456 13.2143 15.9100
560 CA ASN 59 0.0541 13.2228 15.1300
568 CA THR 60 0.0569 13.2256 14.0900
575 CA GLU 61 0.0564 13.2251 12.7100
584 CA ILE 62 0.0457 13.2144 11.9700
592 CA SER 63 0.0616 13.2304 11.0800
598 CA PHE 64 0.0620 13.2308 10.7300
609 CA ILE 65 0.0816 13.2504 10.6400
617 CA LEU 66 0.0660 13.2348 10.6200
625 CA GLY 67 0.0784 13.2472 10.9400
629 CA GLN 68 0.0865 13.2553 10.8600
639 CA GLU 69 0.0710 13.2398 10.4000
640 CA GLU 69 0.0719 13.2406 10.8800
657 CA PHE 70 0.0612 13.2300 11.0100
658 CA PHE 70 0.0611 13.2299 10.9600
673 CA ASP 71 0.0600 13.2288 13.4800
674 CA ASP 71 0.0589 13.2277 11.8600
688 CA GLU 72 0.0395 13.2082 14.3700
697 CA VAL 73 0.0421 13.2108 13.6700
704 CA THR 74 0.0319 13.2005 13.9400
711 CA ALA 75 0.0487 13.2175 16.0400
716 CA ASP 76 0.0417 13.2104 17.0000
724 CA ASP 77 0.0522 13.2209 18.4700
732 CA ARG 78 0.0307 13.1994 14.7100
743 CA LYS 79 0.0434 13.2121 15.6600
752 CA VAL 80 0.0330 13.2017 13.2200
759 CA LYS 81 0.0435 13.2122 14.1600
768 CA SER 82 0.0352 13.2038 11.1100
774 CA THR 83 0.0426 13.2113 10.4300
781 CA ILE 84 0.0361 13.2048 10.1900
789 CA THR 85 0.0461 13.2148 12.1100
796 CA LEU 86 0.0471 13.2158 16.5900
804 CA ASP 87 0.0668 13.2356 18.4200
813 CA GLY 88 0.0919 13.2607 14.2700
814 CA GLY 88 0.0880 13.2568 15.3500
821 CA GLY 89 0.0455 13.2142 13.0200
822 CA GLY 89 0.0442 13.2129 13.5700
828 CA VAL 90 0.0268 13.1954 12.8400
835 CA LEU 91 0.0245 13.1932 10.7400
836 CA LEU 91 0.0245 13.1931 11.2100
848 CA VAL 92 0.0227 13.1914 10.7200
855 CA HIS 93 0.0205 13.1891 11.0400
865 CA VAL 94 0.0242 13.1928 11.4800
872 CA GLN 95 0.0237 13.1924 11.4600
881 CA LYS 96 0.0382 13.2069 15.4600
890 CA TRP 97 0.0454 13.2142 16.2200
904 CA ASP 98 0.1433 13.3124 22.6300
912 CA GLY 99 0.1852 13.3543 21.6300
916 CA LYS 100 0.0590 13.2278 17.2200
925 CA SER 101 0.0348 13.2035 13.8000
931 CA THR 102 0.0197 13.1884 11.6100
938 CA THR 103 0.0159 13.1845 12.7200
945 CA ILE 104 0.0111 13.1797 12.6600
946 CA ILE 104 0.0111 13.1797 11.7000
958 CA LYS 105 0.0117 13.1803 11.6300
967 CA ARG 106 0.0127 13.1813 11.7400
978 CA LYS 107 0.0178 13.1865 12.1400
987 CA ARG 108 0.0284 13.1971 12.5700
998 CA GLU 109 0.0453 13.2140 13.0600
1007 CA ASP 110 0.0888 13.2576 12.1600
1015 CA ASP 111 0.0604 13.2291 12.4400
1024 CA LYS 112 0.0318 13.2004 12.9700
1025 CA LYS 112 0.0317 13.2003 12.9800
1042 CA LEU 113 0.0207 13.1894 11.4800
1043 CA LEU 113 0.0206 13.1892 11.5700
1057 CA VAL 114 0.0138 13.1824 11.6100
1064 CA VAL 115 0.0090 13.1776 11.0200
1072 CA GLU 116 0.0093 13.1778 10.7900
1073 CA GLU 116 0.0091 13.1777 11.5700
1089 CA CYS 117 0.0093 13.1779 11.6100
1095 CA VAL 118 0.0159 13.1845 11.7800
1102 CA MET 119 0.0247 13.1934 12.7800
1103 CA MET 119 0.0249 13.1935 13.3600
1115 CA LYS 120 0.0686 13.2374 14.9600
1124 CA GLY 121 0.1324 13.3013 13.7200
1128 CA VAL 122 0.0353 13.2040 12.0600
1135 CA THR 123 0.0213 13.1899 13.3500
1142 CA SER 124 0.0147 13.1833 11.4700
1148 CA THR 125 0.0143 13.1829 12.0000
1155 CA ARG 126 0.0132 13.1819 11.2600
1166 CA VAL 127 0.0182 13.1868 11.5400
1173 CA TYR 128 0.0236 13.1922 10.8700
1186 CA GLU 129 0.0394 13.2081 13.5500
1187 CA GLU 129 0.0398 13.2085 13.6000
1203 CA ARG 130 0.0563 13.2250 14.2000
1214 CA ALA 131 0.0802 13.2491 17.9400

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.