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

* 01-JUL-21 *

B-factor analysis for ID 220201125949101310

Overall B-factor prediction

Correlation= -0.401 for 201 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 1 154.3524 94.9921 62.7800
10 CA ALA 2 142.8252 93.6334 72.6100
15 CA TRP 3 131.1832 92.2612 73.3700
29 CA MET 4 109.7116 89.7304 75.5600
37 CA LEU 5 97.0575 88.2389 74.2700
45 CA LEU 6 93.0885 87.7710 72.1200
53 CA LEU 7 81.2242 86.3726 71.7400
61 CA ILE 8 66.7000 84.6607 69.7100
69 CA LEU 9 60.2163 83.8965 65.4300
77 CA ILE 10 55.3047 83.3175 66.5100
85 CA MET 11 47.4517 82.3919 63.7900
93 CA VAL 12 38.7787 81.3697 60.6100
100 CA HIS 13 31.3911 80.4989 53.0600
110 CA PRO 14 23.7097 79.5935 54.5900
117 CA GLY 15 22.6044 79.4632 49.8100
121 CA SER 16 15.5740 78.6346 54.5600
127 CA CYS 17 13.7959 78.4250 64.9200
133 CA ALA 18 10.3110 78.0142 80.5400
138 CA LEU 19 7.2346 77.6516 92.6500
146 CA TRP 20 7.7453 77.7118 93.6800
160 CA VAL 21 5.3997 77.4353 97.1300
167 CA SER 22 6.7634 77.5961 97.4300
173 CA GLN 23 5.2599 77.4189 98.1800
182 CA PRO 24 7.1876 77.6461 98.1100
189 CA PRO 25 8.7201 77.8267 98.0700
196 CA GLU 26 7.3121 77.6608 98.5000
205 CA ILE 27 5.8998 77.4943 98.0300
213 CA ARG 28 7.0194 77.6263 97.7400
224 CA THR 29 8.2482 77.7711 96.6900
231 CA LEU 30 10.9879 78.0940 96.2600
239 CA GLU 31 14.1906 78.4715 96.2100
248 CA GLY 32 19.5685 79.1054 95.3200
252 CA SER 33 16.6104 78.7567 95.8300
258 CA SER 34 14.8596 78.5504 96.8300
264 CA ALA 35 9.3367 77.8994 97.5300
269 CA PHE 36 8.7284 77.8277 97.3800
280 CA LEU 37 5.4196 77.4377 98.2800
288 CA PRO 38 6.3203 77.5439 97.8800
295 CA CYS 39 5.1431 77.4051 98.1900
301 CA SER 40 7.5082 77.6839 96.8600
307 CA PHE 41 7.4661 77.6789 96.0600
318 CA ASN 42 11.1271 78.1104 92.9000
326 CA ALA 43 14.0994 78.4608 90.4600
331 CA SER 44 21.6340 79.3489 86.2400
337 CA GLN 45 28.0394 80.1038 81.7300
346 CA GLY 46 34.3584 80.8486 79.1200
350 CA ARG 47 27.4712 80.0369 88.1600
361 CA LEU 48 24.8829 79.7318 93.4400
369 CA ALA 49 16.4010 78.7320 94.0500
374 CA ILE 50 18.0651 78.9282 94.7700
382 CA GLY 51 13.7569 78.4204 95.4500
386 CA SER 52 12.9522 78.3255 95.7100
392 CA VAL 53 9.4113 77.9082 97.1900
399 CA THR 54 10.6065 78.0491 97.3800
406 CA TRP 55 8.8977 77.8476 98.1200
420 CA PHE 56 11.4046 78.1431 98.0200
431 CA ARG 57 13.4446 78.3836 96.9400
442 CA ASP 58 15.4570 78.6208 95.9900
450 CA GLU 59 17.8105 78.8982 94.5000
459 CA VAL 60 15.2790 78.5998 96.2500
466 CA VAL 61 23.5836 79.5786 95.5400
473 CA PRO 62 29.2746 80.2494 93.8500
480 CA GLY 63 33.0145 80.6902 93.0300
484 CA LYS 64 23.3240 79.5480 95.0700
493 CA GLU 65 19.2099 79.0631 96.3900
502 CA VAL 66 17.0731 78.8113 96.9700
509 CA ARG 67 24.6976 79.7100 94.5800
520 CA ASN 68 31.6343 80.5276 92.7900
528 CA GLY 69 42.0767 81.7584 88.9500
532 CA THR 70 38.2886 81.3119 90.8000
539 CA PRO 71 43.9784 81.9825 92.5200
546 CA GLU 72 31.7472 80.5409 92.9900
555 CA PHE 73 26.9460 79.9750 95.2300
566 CA ARG 74 38.1451 81.2950 94.5500
577 CA GLY 75 39.1458 81.4129 94.6800
581 CA ARG 76 27.3919 80.0275 96.7200
592 CA LEU 77 22.4039 79.4396 97.4200
600 CA ALA 78 24.4672 79.6828 95.7300
605 CA PRO 79 26.1737 79.8839 94.9700
612 CA LEU 80 20.3455 79.1970 95.5300
620 CA ALA 81 27.9896 80.0980 95.5800
625 CA SER 82 27.7383 80.0684 95.1600
631 CA SER 83 30.2745 80.3673 95.3500
637 CA ARG 84 21.3434 79.3146 96.0000
648 CA PHE 85 16.2159 78.7102 96.2900
659 CA LEU 86 21.7617 79.3639 95.5700
667 CA HIS 87 26.3092 79.8999 94.8600
677 CA ASP 88 21.5973 79.3445 95.3000
685 CA HIS 89 13.7236 78.4165 96.4400
695 CA GLN 90 11.3101 78.1320 96.8700
704 CA ALA 91 8.3426 77.7822 97.4300
709 CA GLU 92 8.2698 77.7736 97.7000
718 CA LEU 93 8.9304 77.8515 98.0200
726 CA HIS 94 12.7644 78.3034 97.5400
736 CA ILE 95 14.4052 78.4968 97.9000
744 CA ARG 96 20.3424 79.1966 97.1800
755 CA ASP 97 22.2282 79.4189 95.7000
763 CA VAL 98 15.3511 78.6083 97.1300
770 CA ARG 99 17.9242 78.9116 95.7200
781 CA GLY 100 16.7855 78.7774 95.2800
785 CA HIS 101 20.5575 79.2220 94.9300
795 CA ASP 102 14.5965 78.5193 97.0100
803 CA ALA 103 11.5697 78.1626 97.6000
808 CA SER 104 11.7703 78.1862 97.8800
814 CA ILE 105 9.2543 77.8897 98.1900
822 CA TYR 106 6.6544 77.5832 98.4700
834 CA VAL 107 6.0164 77.5080 98.4800
841 CA CYS 108 4.4971 77.3290 98.2800
847 CA ARG 109 5.7146 77.4725 97.8500
858 CA VAL 110 5.6857 77.4691 97.5400
865 CA GLU 111 7.7363 77.7108 96.4700
874 CA VAL 112 9.2271 77.8865 95.5400
881 CA LEU 113 12.3202 78.2510 93.0400
889 CA GLY 114 11.5447 78.1596 90.0100
893 CA LEU 115 8.7928 77.8353 91.1300
901 CA GLY 116 7.7193 77.7088 93.3500
905 CA VAL 117 6.7193 77.5909 95.2600
912 CA GLY 118 5.4919 77.4462 95.7700
916 CA THR 119 5.6890 77.4694 96.9900
923 CA GLY 120 5.1452 77.4053 96.3600
927 CA ASN 121 8.1273 77.7568 96.0100
935 CA GLY 122 6.3175 77.5435 97.6700
939 CA THR 123 5.1884 77.4104 98.5500
946 CA ARG 124 7.1561 77.6424 98.5800
957 CA LEU 125 6.3280 77.5448 98.6000
965 CA VAL 126 7.9421 77.7350 98.0900
972 CA VAL 127 9.4204 77.9093 97.5600
979 CA GLU 128 10.3936 78.0240 96.0900
988 CA LYS 129 13.4983 78.3899 91.7900
997 CA GLU 130 14.4731 78.5048 81.4500
1006 CA HIS 131 15.0939 78.5780 68.6100
1016 CA PRO 132 17.5016 78.8618 61.3300
1023 CA GLN 133 17.1990 78.8261 59.1200
1032 CA LEU 134 16.5517 78.7498 58.5400
1040 CA GLY 135 19.4633 79.0930 60.8900
1044 CA ALA 136 21.2957 79.3090 70.2600
1049 CA GLY 137 21.5221 79.3357 74.3600
1053 CA THR 138 17.0418 78.8076 79.4500
1060 CA VAL 139 15.9464 78.6785 81.1800
1067 CA LEU 140 18.3602 78.9630 83.8800
1075 CA LEU 141 16.5693 78.7519 87.2500
1083 CA LEU 142 13.1424 78.3480 91.3100
1091 CA ARG 143 14.3988 78.4960 92.0500
1102 CA ALA 144 15.4830 78.6238 93.0400
1107 CA GLY 145 12.4551 78.2670 93.6400
1111 CA PHE 146 11.0536 78.1018 93.6000
1122 CA TYR 147 12.7808 78.3053 94.5700
1134 CA ALA 148 12.2015 78.2371 94.5000
1139 CA VAL 149 9.4355 77.9110 94.6300
1146 CA SER 150 9.6368 77.9348 93.5700
1152 CA PHE 151 10.7517 78.0662 93.1600
1163 CA LEU 152 9.2381 77.8878 94.2900
1171 CA SER 153 7.6369 77.6990 93.2900
1177 CA VAL 154 8.4763 77.7980 92.3600
1184 CA ALA 155 8.7786 77.8336 91.3700
1189 CA VAL 156 7.5437 77.6881 91.2800
1196 CA GLY 157 6.9016 77.6124 88.9900
1200 CA SER 158 7.2083 77.6485 86.4400
1206 CA THR 159 7.3160 77.6612 86.6100
1213 CA VAL 160 6.8980 77.6120 83.0900
1220 CA TYR 161 6.7357 77.5928 84.2400
1232 CA TYR 162 6.9741 77.6209 78.3500
1244 CA GLN 163 7.6077 77.6956 77.2200
1253 CA GLY 164 7.8161 77.7202 71.7400
1257 CA LYS 165 7.7805 77.7160 60.5000
1266 CA CYS 166 8.5272 77.8040 59.0100
1272 CA LEU 167 10.0329 77.9815 56.6900
1280 CA THR 168 10.3255 78.0159 56.6300
1287 CA TRP 169 10.3252 78.0159 49.8400
1301 CA LYS 170 13.0260 78.3342 49.9100
1310 CA GLY 171 14.2031 78.4730 58.2600
1314 CA PRO 172 18.0069 78.9213 51.3400
1321 CA ARG 173 18.6397 78.9959 49.2000
1332 CA ARG 174 21.0462 79.2796 51.5800
1343 CA GLN 175 25.6600 79.8234 47.2900
1352 CA LEU 176 22.6820 79.4724 52.4400
1360 CA PRO 177 32.8859 80.6751 48.4900
1367 CA ALA 178 37.3896 81.2059 51.1800
1372 CA VAL 179 35.0653 80.9320 58.5300
1379 CA VAL 180 48.4198 82.5060 60.4600
1386 CA PRO 181 50.2765 82.7249 58.8500
1393 CA ALA 182 57.4196 83.5668 61.9300
1398 CA PRO 183 76.0823 85.7666 64.0600
1405 CA LEU 184 83.9362 86.6923 59.2600
1413 CA PRO 185 99.1649 88.4872 64.6700
1420 CA PRO 186 124.9232 91.5233 64.4400
1427 CA PRO 187 148.2378 94.2714 57.5400
1434 CA CYS 188 171.0573 96.9610 45.3700
1440 CA GLY 189 201.5797 100.5587 47.5700
1444 CA SER 190 240.4588 105.1412 42.9000
1450 CA SER 191 257.7761 107.1824 46.7100
1456 CA ALA 192 308.9303 113.2118 46.3700
1461 CA HIS 193 352.2070 118.3128 53.0300
1471 CA LEU 194 400.4589 124.0001 51.8800
1479 CA LEU 195 464.3485 131.5306 56.1700
1487 CA PRO 196 543.6232 140.8746 69.8400
1494 CA PRO 197 624.2619 150.3793 71.9800
1501 CA VAL 198 710.7259 160.5706 70.2300
1508 CA PRO 199 828.4615 174.4478 65.9700
1515 CA GLY 200 910.0274 184.0618 59.3700
1519 CA GLY 201 1060.6394 201.8141 51.5800

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.