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B-factor analysis for ID 2412300847331581091

Overall B-factor prediction

Correlation= 0.269 for 237 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 2 3.4939 26.0887 46.9300
12 CA LYS 3 3.7241 26.5593 39.6300
22 CA GLY 4 1.6489 22.3183 21.0300
29 CA GLU 5 1.5436 22.1032 27.9700
41 CA GLU 6 1.8337 22.6960 18.2300
51 CA LEU 7 1.2404 21.4835 15.8700
70 CA PHE 8 0.9836 20.9587 15.4300
90 CA THR 9 2.3627 23.7772 27.2300
104 CA GLY 10 2.1336 23.3090 25.4200
111 CA VAL 11 1.4071 21.8242 21.1400
127 CA VAL 12 0.5440 20.0605 16.9100
143 CA PRO 13 0.5062 19.9832 16.2500
157 CA ILE 14 0.3078 19.5778 15.4600
176 CA LEU 15 0.3837 19.7328 16.8400
195 CA VAL 16 0.3154 19.5934 16.4600
211 CA GLU 17 0.3196 19.6018 18.4000
227 CA LEU 18 0.2804 19.5217 18.6100
228 CA LEU 18 0.2801 19.5212 18.5800
264 CA ASP 19 0.3143 19.5910 21.2200
277 CA GLY 20 0.3578 19.6800 23.0300
284 CA ASP 21 0.5862 20.1467 23.7400
296 CA VAL 22 0.4619 19.8927 24.3000
312 CA ASN 23 0.6986 20.3764 27.2600
326 CA GLY 24 1.3145 21.6351 32.9900
333 CA HIS 25 1.3611 21.7303 28.7700
351 CA LYS 26 0.9961 20.9843 26.2100
373 CA PHE 27 0.5145 20.0001 23.5800
394 CA SER 28 0.4357 19.8391 21.2100
395 CA SER 28 0.4372 19.8421 21.2400
415 CA VAL 29 0.3614 19.6874 19.0500
432 CA SER 30 0.3968 19.7597 18.8200
433 CA SER 30 0.3964 19.7588 20.1300
451 CA GLY 31 0.3826 19.7307 19.0500
458 CA GLU 32 0.5896 20.1537 17.8700
473 CA GLY 33 0.4557 19.8800 17.7900
480 CA GLU 34 0.5450 20.0625 16.1400
495 CA GLY 35 0.5313 20.0345 17.3700
502 CA ASP 36 0.9337 20.8569 14.5000
514 CA ALA 37 0.7438 20.4687 13.9500
524 CA THR 38 1.8024 22.6321 20.2000
538 CA TYR 39 1.6129 22.2449 18.9900
559 CA GLY 40 0.5319 20.0356 12.1000
566 CA LYS 41 0.5099 19.9909 14.0100
588 CA LEU 42 0.3719 19.7088 13.8500
607 CA THR 43 0.4443 19.8567 17.0500
621 CA LEU 44 0.4865 19.9430 19.3200
640 CA LYS 45 0.4051 19.7766 19.6400
662 CA PHE 46 0.2815 19.5240 18.9500
682 CA ILE 47 0.3805 19.7262 22.0100
701 CA CYS 48 0.4010 19.7683 22.7400
712 CA THR 49 0.6537 20.2847 24.9300
726 CA THR 50 0.8795 20.7461 28.7400
740 CA GLY 51 1.3022 21.6100 29.0200
747 CA LYS 52 1.4059 21.8219 33.8400
760 CA LEU 53 0.5788 20.1316 24.7300
779 CA PRO 54 0.5341 20.0403 32.5500
793 CA VAL 55 0.3536 19.6714 26.8000
809 CA PRO 56 0.2721 19.5049 23.6600
823 CA TRP 57 0.2620 19.4842 20.5500
847 CA PRO 58 0.3485 19.6609 19.5900
861 CA THR 59 0.3036 19.5692 18.9800
875 CA LEU 60 0.2584 19.4768 16.3300
894 CA VAL 61 0.3404 19.6443 14.7200
910 CA THR 62 0.3528 19.6697 15.7100
924 CA THR 63 0.2965 19.5546 13.2600
938 CA LEU 64 0.2630 19.4863 12.9400
957 CA VAL 68 0.3533 19.6708 9.9800
972 CA GLN 69 0.3893 19.7444 13.1400
989 CA CYS 70 0.3215 19.6057 14.0000
1000 CA PHE 71 0.2868 19.5349 12.9300
1020 CA ALA 72 0.5186 20.0085 13.0800
1030 CA ARG 73 0.6174 20.2104 11.7200
1054 CA TYR 74 0.8290 20.6428 12.0000
1075 CA PRO 75 1.5471 22.1103 15.5900
1089 CA ASP 76 2.3667 23.7853 23.1800
1101 CA HIS 77 2.7991 24.6688 22.4200
1119 CA MET 78 0.7671 20.5164 16.4400
1136 CA LYS 79 0.9805 20.9525 17.8400
1159 CA GLN 80 0.9885 20.9688 17.1100
1160 CA GLN 80 0.9888 20.9694 17.1100
1192 CA HIS 81 0.5284 20.0285 17.5200
1211 CA ASP 82 0.3654 19.6954 10.3800
1223 CA PHE 83 0.2949 19.5514 12.0000
1243 CA PHE 84 0.2615 19.4831 12.3200
1263 CA LYS 85 0.2915 19.5444 15.8000
1285 CA SER 86 0.3673 19.6994 15.1400
1296 CA ALA 87 0.4172 19.8013 17.2600
1306 CA MET 88 0.4393 19.8465 17.7400
1323 CA PRO 89 0.5580 20.0891 15.0300
1338 CA GLU 90 0.8421 20.6697 19.6000
1339 CA GLU 90 0.8412 20.6678 18.7600
1367 CA GLY 91 0.3518 19.6678 16.0900
1375 CA TYR 92 0.2638 19.4879 15.2500
1396 CA VAL 93 0.3538 19.6719 16.0500
1412 CA GLN 94 0.4171 19.8011 15.2300
1429 CA GLU 95 0.4298 19.8271 17.3700
1444 CA ARG 96 0.3183 19.5993 17.8500
1468 CA THR 97 0.3988 19.7638 24.1000
1482 CA ILE 98 0.3562 19.6767 19.5200
1501 CA PHE 99 0.4462 19.8606 23.0500
1521 CA PHE 100 0.5584 20.0900 22.7000
1541 CA LYS 101 1.3603 21.7286 25.6800
1563 CA ASP 102 1.8668 22.7636 28.9900
1575 CA ASP 103 0.8637 20.7138 27.5000
1587 CA GLY 104 0.5615 20.0963 25.2300
1594 CA ASN 105 0.4603 19.8895 22.8100
1608 CA TYR 106 0.2690 19.4984 20.9000
1629 CA LYS 107 0.3787 19.7227 20.2900
1642 CA THR 108 0.3601 19.6846 17.9200
1656 CA ARG 109 0.3680 19.7008 17.5900
1680 CA ALA 110 0.3387 19.6409 15.8200
1690 CA GLU 111 0.4966 19.9635 16.3800
1705 CA VAL 112 0.5353 20.0427 13.0200
1721 CA LYS 113 0.3787 19.7227 14.0700
1734 CA PHE 114 0.4976 19.9656 14.4100
1754 CA GLU 115 0.6604 20.2982 16.2200
1769 CA GLY 116 1.9059 22.8436 18.2900
1776 CA ASP 117 2.0885 23.2168 20.5200
1788 CA THR 118 0.6074 20.1900 12.9000
1802 CA LEU 119 0.3405 19.6446 11.4300
1822 CA VAL 120 0.3218 19.6065 12.6200
1823 CA VAL 120 0.3208 19.6044 12.6100
1853 CA ASN 121 0.2768 19.5144 12.7700
1869 CA ARG 122 0.2822 19.5255 15.4100
1870 CA ARG 122 0.2827 19.5266 15.6300
1916 CA ILE 123 0.2839 19.5289 15.7000
1937 CA GLU 124 0.3580 19.6804 17.9700
1938 CA GLU 124 0.3577 19.6798 17.9700
1966 CA LEU 125 0.3620 19.6884 18.5000
1986 CA LYS 126 0.5953 20.1652 21.4800
2008 CA GLY 127 0.3975 19.7611 22.0600
2015 CA ILE 128 0.7504 20.4822 25.8500
2034 CA ASP 129 1.1548 21.3088 36.4000
2046 CA PHE 130 0.6764 20.3310 35.9800
2066 CA LYS 131 1.0557 21.1062 39.9700
2082 CA GLU 132 1.8081 22.6438 43.3500
2089 CA ASP 133 2.2570 23.5612 50.4800
2101 CA GLY 134 0.9048 20.7978 39.0600
2108 CA ASN 135 0.6790 20.3364 35.7800
2122 CA ILE 136 0.5002 19.9709 33.2800
2141 CA LEU 137 0.7340 20.4487 41.2900
2160 CA GLY 138 1.0079 21.0085 39.0800
2167 CA HIS 139 0.8437 20.6728 35.5700
2185 CA LYS 140 0.9829 20.9573 35.9900
2207 CA LEU 141 0.7490 20.4795 31.4200
2226 CA GLU 142 0.7683 20.5188 29.9000
2241 CA TYR 143 0.5621 20.0975 26.9600
2262 CA ASN 144 0.6251 20.2262 23.5600
2276 CA TYR 145 0.5385 20.0493 25.7400
2297 CA ASN 146 0.9331 20.8556 19.2600
2311 CA HIS 147 0.8470 20.6796 15.7000
2329 CA HIS 148 0.5610 20.0951 14.3100
2347 CA LYS 149 0.6392 20.2550 14.1600
2369 CA VAL 150 0.5759 20.1256 15.1000
2385 CA TYR 151 0.5267 20.0250 13.4500
2406 CA ILE 152 0.4006 19.7673 12.8100
2425 CA THR 153 0.6540 20.2853 15.0300
2439 CA ALA 154 0.7457 20.4726 19.4800
2449 CA ASP 155 1.2244 21.4510 20.2200
2461 CA LYS 156 1.9879 23.0111 21.1300
2483 CA GLN 157 4.6734 28.4992 27.4200
2500 CA LYS 158 1.6630 22.3472 32.0500
2518 CA ASN 159 0.7531 20.4877 21.4800
2532 CA GLY 160 0.4864 19.9427 20.3000
2539 CA ILE 161 0.3671 19.6990 18.8500
2558 CA LYS 162 0.5291 20.0300 16.4100
2574 CA VAL 163 0.4134 19.7936 15.8100
2590 CA ASN 164 0.4852 19.9403 16.5100
2604 CA PHE 165 0.4015 19.7693 16.1000
2624 CA LYS 166 0.5296 20.0310 16.3800
2634 CA THR 167 0.5029 19.9765 15.7300
2648 CA ARG 168 0.4790 19.9276 21.5900
2672 CA HIS 169 0.5452 20.0629 18.2100
2690 CA ASN 170 0.7999 20.5834 23.8900
2704 CA ILE 171 0.8035 20.5907 30.4600
2723 CA GLU 172 1.6256 22.2708 35.2700
2730 CA ASP 173 3.1528 25.3916 45.8200
2742 CA GLY 174 2.6990 24.4643 37.2200
2749 CA SER 175 1.6960 22.4145 35.6600
2760 CA VAL 176 1.0406 21.0752 30.0200
2776 CA GLN 177 0.6380 20.2526 26.8500
2793 CA LEU 178 0.5473 20.0671 24.2100
2800 CA ALA 179 0.5870 20.1483 21.6900
2810 CA ASP 180 0.5612 20.0956 23.6400
2822 CA HIS 181 0.4413 19.8505 18.1900
2840 CA TYR 182 0.3849 19.7354 19.0200
2861 CA GLN 183 0.3152 19.5930 16.6700
2878 CA GLN 184 0.4347 19.8370 20.2600
2888 CA ASN 185 0.5352 20.0424 14.4100
2903 CA THR 186 0.5813 20.1367 18.7600
2904 CA THR 186 0.5810 20.1361 18.4400
2930 CA PRO 187 0.4729 19.9152 14.7700
2944 CA ILE 188 0.9402 20.8701 24.9000
2963 CA GLY 189 1.7834 22.5932 33.9700
2971 CA ASP 190 4.0177 27.1593 42.5800
2972 CA ASP 190 4.0546 27.2345 42.0700
2994 CA GLY 191 4.9023 28.9669 43.2600
3002 CA PRO 192 4.3134 27.7634 34.1200
3016 CA VAL 193 1.0960 21.1885 23.0400
3032 CA LEU 194 0.5254 20.0224 20.3700
3051 CA LEU 195 0.5795 20.1330 19.3500
3070 CA PRO 196 0.4875 19.9450 16.4400
3084 CA ASP 197 0.7615 20.5050 15.8000
3096 CA ASN 198 0.6961 20.3712 13.6000
3110 CA HIS 199 0.4905 19.9511 11.8600
3128 CA TYR 200 0.4988 19.9681 10.2900
3149 CA LEU 201 0.4661 19.9014 12.0500
3168 CA HIS 202 0.6041 20.1832 14.7900
3186 CA THR 203 0.6245 20.2249 11.0300
3200 CA HIS 204 0.9354 20.8602 14.5700
3218 CA SER 205 1.6305 22.2807 19.7100
3229 CA LYS 206 0.6382 20.2530 18.1700
3242 CA LEU 207 0.6463 20.2695 21.1300
3261 CA SER 208 0.9507 20.8916 21.2000
3272 CA LYS 209 1.1662 21.3319 26.0600
3294 CA ASP 210 1.4802 21.9735 27.7900
3306 CA PRO 211 4.0752 27.2766 43.2100
3320 CA ASN 212 3.6110 26.3281 43.3900
3334 CA GLU 213 1.4402 21.8919 32.0700
3349 CA LYS 214 1.7216 22.4670 34.8700
3359 CA ARG 215 1.1637 21.3269 31.4300
3383 CA ASP 216 0.7029 20.3853 27.9100
3395 CA HIS 217 0.4148 19.7965 24.3000
3413 CA MET 218 0.3041 19.5702 21.8700
3430 CA VAL 219 0.4012 19.7686 20.1900
3446 CA LEU 220 0.5730 20.1198 16.9400
3465 CA LEU 221 0.4919 19.9540 16.5700
3484 CA GLU 222 0.7177 20.4154 13.6400
3499 CA PHE 223 0.7369 20.4547 11.9200
3519 CA VAL 224 0.6832 20.3450 12.7100
3535 CA THR 225 0.5822 20.1385 11.0800
3549 CA ALA 226 0.5731 20.1199 13.9500
3559 CA ALA 227 0.7469 20.4750 13.1200
3569 CA GLY 228 1.3714 21.7513 15.3600
3576 CA ILE 229 1.6564 22.3337 15.3400
3595 CA THR 230 48.4766 118.0135 29.8700
3609 CA LEU 231 39.3899 99.4443 40.1500

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.