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

* OXIDOREDUCTASE 07-MAR-14 4PSS *

B-factor analysis for ID 22011415402943070

Overall B-factor prediction

Correlation= 0.601 for 333 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
3 CA MET 1 0.0014 7.2411 11.0700
4 CA MET 1 0.0014 7.2115 11.9900
40 CA ILE 2 0.0006 6.2407 8.3100
60 CA SER 3 0.0004 6.0427 5.8700
72 CA LEU 4 0.0004 5.9952 5.5600
73 CA LEU 4 0.0004 5.9961 5.6600
110 CA ILE 5 0.0003 5.9858 5.0600
111 CA ILE 5 0.0003 5.9864 4.4700
147 CA ALA 6 0.0003 5.9827 4.6200
159 CA ALA 7 0.0005 6.1390 4.7900
160 CA ALA 7 0.0005 6.1364 4.8300
179 CA LEU 8 0.0005 6.1157 5.5000
180 CA LEU 8 0.0005 6.1137 5.1400
216 CA ALA 9 0.0006 6.2614 7.0200
230 CA VAL 10 0.0012 6.9122 7.2100
231 CA VAL 10 0.0012 6.9291 7.4500
232 CA VAL 10 0.0012 6.9540 7.5100
233 CA VAL 10 0.0012 6.9274 7.6000
294 CA ASP 11 0.0016 7.3821 6.4400
295 CA ASP 11 0.0016 7.4150 7.3500
296 CA ASP 11 0.0016 7.4134 7.5900
297 CA ASP 11 0.0016 7.4011 7.2900
342 CA ARG 12 0.0007 6.4284 6.0200
343 CA ARG 12 0.0007 6.4215 5.3000
344 CA ARG 12 0.0007 6.4244 6.2200
345 CA ARG 12 0.0007 6.4182 6.2400
438 CA VAL 13 0.0007 6.4420 5.8300
439 CA VAL 13 0.0007 6.4443 5.2200
440 CA VAL 13 0.0007 6.4359 5.4800
441 CA VAL 13 0.0007 6.4400 5.0000
502 CA ILE 14 0.0007 6.3692 5.9800
503 CA ILE 14 0.0007 6.3678 5.8400
504 CA ILE 14 0.0007 6.3683 5.9800
505 CA ILE 14 0.0007 6.3671 5.7300
575 CA GLY 15 0.0011 6.8086 7.0800
585 CA MET 16 0.0022 8.1137 8.7300
602 CA GLU 17 0.0107 17.9379 9.5700
627 CA ASN 18 0.0026 8.6050 12.3900
628 CA ASN 18 0.0027 8.6366 11.3700
655 CA ALA 19 0.0028 8.8464 10.2600
656 CA ALA 19 0.0029 8.9334 10.7500
675 CA MET 20 0.0012 6.9738 8.9000
676 CA MET 20 0.0012 7.0184 11.5800
709 CA PRO 21 0.0013 7.0883 11.3800
710 CA PRO 21 0.0014 7.2517 13.2100
737 CA TRP 22 0.0011 6.8001 10.7800
738 CA TRP 22 0.0011 6.8486 10.3400
785 CA ASN 23 0.0018 7.6774 11.6700
786 CA ASN 23 0.0019 7.8012 11.3200
813 CA LEU 24 0.0010 6.7913 8.4400
814 CA LEU 24 0.0011 6.7996 7.8600
851 CA PRO 25 0.0021 8.0592 7.9400
852 CA PRO 25 0.0022 8.0793 8.2400
879 CA ALA 26 0.0013 7.0549 6.9300
880 CA ALA 26 0.0013 7.0785 6.4100
899 CA ASP 27 0.0007 6.4383 6.1600
900 CA ASP 27 0.0007 6.4405 5.9400
922 CA LEU 28 0.0013 7.0966 7.2700
968 CA ALA 29 0.0014 7.2092 7.3800
978 CA TRP 30 0.0007 6.3928 6.3600
1002 CA PHE 31 0.0006 6.2713 5.6100
1022 CA LYS 32 0.0011 6.8004 6.8300
1078 CA ARG 33 0.0013 7.0520 7.8500
1079 CA ARG 33 0.0012 7.0022 8.0700
1080 CA ARG 33 0.0013 7.0302 7.8600
1150 CA ASN 34 0.0008 6.4570 6.2300
1151 CA ASN 34 0.0008 6.4545 6.0000
1152 CA ASN 34 0.0008 6.4549 6.3000
1192 CA THR 35 0.0006 6.2609 5.6700
1193 CA THR 35 0.0006 6.2573 5.6800
1194 CA THR 35 0.0006 6.2594 5.9200
1232 CA LEU 36 0.0009 6.6165 6.4200
1255 CA ASN 37 0.0019 7.7159 6.9100
1256 CA ASN 37 0.0019 7.7314 6.9300
1257 CA ASN 37 0.0019 7.7199 7.3400
1297 CA LYS 38 0.0008 6.4704 6.9900
1298 CA LYS 38 0.0008 6.4651 7.3100
1299 CA LYS 38 0.0008 6.4704 6.7700
1361 CA PRO 39 0.0005 6.1955 6.0400
1386 CA VAL 40 0.0003 5.9846 5.4800
1387 CA VAL 40 0.0003 5.9864 5.1100
1388 CA VAL 40 0.0003 5.9850 5.5400
1434 CA ILE 41 0.0003 5.9225 4.4100
1435 CA ILE 41 0.0003 5.9240 4.8700
1436 CA ILE 41 0.0003 5.9226 4.7400
1489 CA MET 42 0.0003 5.9378 4.7500
1508 CA GLY 43 0.0004 6.0864 5.2800
1517 CA ARG 44 0.0008 6.4676 6.6800
1518 CA ARG 44 0.0008 6.4668 6.4500
1519 CA ARG 44 0.0008 6.4636 6.3200
1589 CA HIS 45 0.0010 6.7662 5.9300
1590 CA HIS 45 0.0010 6.7754 5.9200
1591 CA HIS 45 0.0010 6.7705 6.0000
1640 CA THR 46 0.0007 6.3598 6.0600
1641 CA THR 46 0.0007 6.3538 5.4900
1642 CA THR 46 0.0007 6.3636 5.6400
1682 CA TRP 47 0.0006 6.3170 5.8100
1683 CA TRP 47 0.0006 6.3082 6.4500
1684 CA TRP 47 0.0006 6.3183 5.1800
1754 CA GLU 48 0.0010 6.7627 7.1400
1755 CA GLU 48 0.0010 6.7687 7.0400
1756 CA GLU 48 0.0010 6.7721 7.1500
1799 CA SER 49 0.0014 7.1705 7.6800
1800 CA SER 49 0.0014 7.1556 7.6700
1801 CA SER 49 0.0014 7.1836 8.2000
1832 CA ILE 50 0.0011 6.8365 6.6600
1833 CA ILE 50 0.0011 6.8234 6.8700
1834 CA ILE 50 0.0011 6.8215 6.7100
1887 CA GLY 51 0.0015 7.3133 8.7400
1898 CA ARG 52 0.0017 7.5230 6.9600
1899 CA ARG 52 0.0017 7.5244 6.9000
1900 CA ARG 52 0.0017 7.5276 6.7900
1968 CA PRO 53 0.0010 6.7406 6.2900
1984 CA LEU 54 0.0008 6.4945 6.1200
1985 CA LEU 54 0.0008 6.4982 5.9600
1986 CA LEU 54 0.0008 6.4992 6.2800
2041 CA PRO 55 0.0022 8.1154 6.9500
2042 CA PRO 55 0.0022 8.1006 6.4400
2043 CA PRO 55 0.0022 8.1522 6.1600
2081 CA GLY 56 0.0023 8.1924 8.7900
2091 CA ARG 57 0.0008 6.5368 6.7600
2092 CA ARG 57 0.0008 6.5401 6.5500
2138 CA LYS 58 0.0006 6.2876 6.4800
2162 CA ASN 59 0.0004 6.0871 5.8100
2163 CA ASN 59 0.0004 6.0877 5.1300
2189 CA ILE 60 0.0003 5.9689 6.2100
2210 CA ILE 61 0.0004 6.0303 5.1400
2211 CA ILE 61 0.0004 6.0302 5.3800
2247 CA LEU 62 0.0005 6.1204 6.7100
2267 CA SER 63 0.0011 6.9072 8.3800
2279 CA SER 64 0.0035 9.6569 12.4900
2280 CA SER 64 0.0035 9.6456 12.8800
2301 CA GLN 65 0.0031 9.2006 12.9100
2302 CA GLN 65 0.0031 9.1475 13.2000
2335 CA PRO 66 0.0038 9.9734 12.6000
2336 CA PRO 66 0.0037 9.7954 12.7300
2362 CA GLY 67 0.0016 7.4282 12.1400
2372 CA THR 68 0.0023 8.2229 10.8700
2373 CA THR 68 0.0023 8.2399 10.7700
2374 CA THR 68 0.0022 8.1406 10.3200
2414 CA ASP 69 0.0017 7.5482 8.4900
2415 CA ASP 69 0.0017 7.5746 7.9900
2416 CA ASP 69 0.0017 7.5440 6.5700
2450 CA ASP 70 0.0028 8.7769 7.1800
2451 CA ASP 70 0.0028 8.7725 6.9800
2452 CA ASP 70 0.0028 8.7855 6.2700
2486 CA ARG 71 0.0024 8.2912 7.1100
2487 CA ARG 71 0.0023 8.2513 7.3800
2488 CA ARG 71 0.0023 8.2675 6.2800
2558 CA VAL 72 0.0009 6.6230 6.7100
2559 CA VAL 72 0.0009 6.5820 5.9800
2560 CA VAL 72 0.0009 6.6060 5.5600
2606 CA THR 73 0.0008 6.4572 6.2000
2607 CA THR 73 0.0008 6.4495 5.7100
2608 CA THR 73 0.0007 6.4481 5.3600
2648 CA TRP 74 0.0008 6.4941 6.5900
2649 CA TRP 74 0.0008 6.4799 6.2000
2650 CA TRP 74 0.0008 6.4806 5.9800
2720 CA VAL 75 0.0009 6.6010 6.6800
2721 CA VAL 75 0.0009 6.6033 6.8500
2722 CA VAL 75 0.0009 6.5993 6.2800
2768 CA LYS 76 0.0020 7.8938 8.2500
2769 CA LYS 76 0.0020 7.9239 8.8500
2770 CA LYS 76 0.0021 7.9579 7.8600
2834 CA SER 77 0.0020 7.9018 7.1800
2835 CA SER 77 0.0020 7.8371 8.1100
2836 CA SER 77 0.0019 7.7915 6.8100
2867 CA VAL 78 0.0009 6.5841 7.4500
2868 CA VAL 78 0.0009 6.5760 7.8600
2869 CA VAL 78 0.0009 6.5659 7.1600
2915 CA ASP 79 0.0014 7.2225 8.6100
2916 CA ASP 79 0.0014 7.2287 8.9500
2917 CA ASP 79 0.0015 7.2967 8.5900
2949 CA GLU 80 0.0012 6.9595 7.0800
2966 CA ALA 81 0.0006 6.2538 6.2500
2978 CA ILE 82 0.0008 6.4629 6.6100
2979 CA ILE 82 0.0008 6.4613 6.6400
2980 CA ILE 82 0.0008 6.4601 6.4700
3035 CA ALA 83 0.0021 7.9531 7.7500
3036 CA ALA 83 0.0020 7.9286 7.0300
3037 CA ALA 83 0.0020 7.9290 7.8500
3063 CA ALA 84 0.0010 6.7921 7.7700
3076 CA CYS 85 0.0010 6.6979 9.6900
3077 CA CYS 85 0.0010 6.7032 9.2900
3097 CA GLY 86 0.0082 15.0230 12.4800
3106 CA ASP 87 0.0125 19.9265 12.9400
3107 CA ASP 87 0.0138 21.4379 13.9600
3130 CA VAL 88 0.0026 8.6212 11.2400
3131 CA VAL 88 0.0026 8.6301 11.9000
3162 CA PRO 89 0.0037 9.8198 11.9700
3163 CA PRO 89 0.0035 9.6653 10.4400
3189 CA GLU 90 0.0008 6.4971 8.2900
3207 CA ILE 91 0.0005 6.1829 6.3600
3208 CA ILE 91 0.0005 6.1824 6.2400
3209 CA ILE 91 0.0005 6.1827 6.3500
3262 CA MET 92 0.0003 5.9781 5.0000
3283 CA VAL 93 0.0003 5.9632 4.7600
3284 CA VAL 93 0.0003 5.9634 4.5300
3285 CA VAL 93 0.0003 5.9652 4.7900
3331 CA ILE 94 0.0004 6.0274 5.0900
3332 CA ILE 94 0.0004 6.0248 4.4400
3333 CA ILE 94 0.0004 6.0276 4.1900
3386 CA GLY 95 0.0004 6.0373 5.0500
3395 CA GLY 96 0.0005 6.1876 5.1500
3402 CA GLY 97 0.0007 6.3493 6.1800
3411 CA ARG 98 0.0011 6.8587 5.9800
3412 CA ARG 98 0.0011 6.8636 6.4100
3413 CA ARG 98 0.0011 6.8714 6.6500
3483 CA VAL 99 0.0005 6.1293 5.5900
3484 CA VAL 99 0.0005 6.1303 5.6000
3485 CA VAL 99 0.0005 6.1286 5.5000
3529 CA TYR 100 0.0004 6.0488 5.4900
3552 CA GLU 101 0.0007 6.4188 6.9800
3585 CA GLN 102 0.0008 6.4724 8.0100
3614 CA PHE 103 0.0005 6.1171 7.1800
3615 CA PHE 103 0.0005 6.1194 6.8000
3654 CA LEU 104 0.0006 6.2645 6.8100
3655 CA LEU 104 0.0006 6.2567 7.2400
3692 CA PRO 105 0.0018 7.6797 7.5000
3693 CA PRO 105 0.0018 7.6298 7.8400
3720 CA LYS 106 0.0012 6.9149 10.4100
3721 CA LYS 106 0.0012 6.9490 8.6400
3764 CA ALA 107 0.0007 6.3634 7.3600
3765 CA ALA 107 0.0007 6.3498 7.7700
3784 CA GLN 108 0.0010 6.7212 7.9100
3785 CA GLN 108 0.0010 6.7362 7.8700
3818 CA LYS 109 0.0007 6.3756 7.6600
3819 CA LYS 109 0.0007 6.3784 5.8000
3862 CA LEU 110 0.0005 6.1293 6.1700
3863 CA LEU 110 0.0005 6.1288 6.3200
3900 CA TYR 111 0.0004 6.0589 5.2700
3901 CA TYR 111 0.0004 6.0591 5.2600
3941 CA LEU 112 0.0004 6.0179 5.2200
3964 CA THR 113 0.0005 6.1610 5.4400
3965 CA THR 113 0.0005 6.1612 5.2600
3966 CA THR 113 0.0005 6.1609 4.5100
3967 CA THR 113 0.0005 6.1612 5.6100
4020 CA HIS 114 0.0006 6.2398 5.3300
4021 CA HIS 114 0.0006 6.2385 5.2600
4022 CA HIS 114 0.0006 6.2400 4.7700
4023 CA HIS 114 0.0006 6.2396 5.6200
4085 CA ILE 115 0.0006 6.2384 5.8500
4121 CA ASP 116 0.0013 7.0676 6.4200
4122 CA ASP 116 0.0013 7.0659 5.9500
4145 CA ALA 117 0.0012 6.9246 7.3500
4146 CA ALA 117 0.0012 6.9526 8.2100
4165 CA GLU 118 0.0021 8.0040 9.4600
4166 CA GLU 118 0.0021 8.0368 9.1900
4195 CA VAL 119 0.0015 7.3504 11.2000
4196 CA VAL 119 0.0015 7.3340 12.2300
4227 CA GLU 120 0.0039 10.0965 10.4800
4228 CA GLU 120 0.0039 10.0488 9.7300
4256 CA GLY 121 0.0019 7.7598 9.3300
4264 CA ASP 122 0.0050 11.3453 6.4800
4277 CA THR 123 0.0014 7.1435 5.5300
4278 CA THR 123 0.0013 7.1264 5.7100
4304 CA HIS 124 0.0008 6.4567 5.4500
4322 CA PHE 125 0.0005 6.1536 5.3000
4345 CA PRO 126 0.0007 6.3566 6.0700
4346 CA PRO 126 0.0007 6.3485 6.0700
4347 CA PRO 126 0.0007 6.3563 6.6700
4348 CA PRO 126 0.0007 6.3637 6.7400
4401 CA ASP 127 0.0011 6.8115 7.1700
4402 CA ASP 127 0.0010 6.7653 7.0400
4403 CA ASP 127 0.0010 6.7890 7.3300
4404 CA ASP 127 0.0011 6.7991 8.6800
4449 CA TYR 128 0.0008 6.5419 7.4600
4450 CA TYR 128 0.0008 6.5165 8.3800
4451 CA TYR 128 0.0008 6.5069 8.0400
4452 CA TYR 128 0.0008 6.5343 8.0600
4530 CA GLU 129 0.0023 8.2708 9.4800
4559 CA PRO 130 0.0026 8.6314 9.1400
4560 CA PRO 130 0.0026 8.5499 8.8900
4561 CA PRO 130 0.0025 8.5036 8.7700
4601 CA ASP 131 0.0057 12.0909 7.8700
4602 CA ASP 131 0.0055 11.8840 8.6800
4603 CA ASP 131 0.0051 11.4973 8.6200
4637 CA ASP 132 0.0028 8.8608 9.6000
4638 CA ASP 132 0.0029 8.9023 9.2500
4639 CA ASP 132 0.0028 8.7703 8.7200
4671 CA TRP 133 0.0012 6.9582 7.6900
4697 CA GLU 134 0.0032 9.2387 7.7700
4712 CA SER 135 0.0022 8.0935 8.3400
4725 CA VAL 136 0.0026 8.5681 9.1500
4726 CA VAL 136 0.0026 8.6134 8.9700
4727 CA VAL 136 0.0026 8.5881 8.4000
4773 CA PHE 137 0.0020 7.8445 8.2400
4774 CA PHE 137 0.0020 7.8868 8.4600
4775 CA PHE 137 0.0019 7.7633 8.3400
4833 CA SER 138 0.0019 7.7831 8.6800
4834 CA SER 138 0.0018 7.6393 8.7700
4835 CA SER 138 0.0018 7.6742 9.1700
4866 CA GLU 139 0.0018 7.6569 7.1500
4867 CA GLU 139 0.0018 7.6198 8.1300
4868 CA GLU 139 0.0018 7.6160 8.0200
4909 CA PHE 140 0.0027 8.6389 6.9600
4933 CA HIS 141 0.0019 7.8066 7.5400
4934 CA HIS 141 0.0019 7.8054 6.8700
4935 CA HIS 141 0.0019 7.7704 7.2100
4984 CA ASP 142 0.0035 9.6345 8.4700
4985 CA ASP 142 0.0036 9.6972 8.3200
4986 CA ASP 142 0.0035 9.6347 8.0400
5018 CA ALA 143 0.0024 8.3146 8.6000
5032 CA ASP 144 0.0046 10.8899 9.6400
5033 CA ASP 144 0.0046 10.9123 9.0000
5034 CA ASP 144 0.0046 10.9162 9.9000
5068 CA ALA 145 0.0088 15.7147 9.9700
5069 CA ALA 145 0.0088 15.7580 8.3500
5070 CA ALA 145 0.0086 15.4609 9.5400
5098 CA GLN 146 0.0042 10.4755 8.4300
5099 CA GLN 146 0.0043 10.5619 8.6900
5100 CA GLN 146 0.0043 10.5085 9.0500
5149 CA ASN 147 0.0018 7.6612 6.6100
5150 CA ASN 147 0.0018 7.6693 8.1600
5151 CA ASN 147 0.0018 7.6285 8.0000
5191 CA SER 148 0.0024 8.4032 8.5100
5192 CA SER 148 0.0024 8.4013 8.7800
5193 CA SER 148 0.0024 8.3947 8.8800
5223 CA HIS 149 0.0013 7.0992 6.2900
5224 CA HIS 149 0.0013 7.1135 7.6800
5256 CA SER 150 0.0014 7.2245 7.1800
5269 CA TYR 151 0.0008 6.5115 6.8700
5270 CA TYR 151 0.0008 6.5069 6.7200
5311 CA PHE 153 0.0007 6.3670 5.8700
5312 CA PHE 153 0.0007 6.3642 5.3500
5350 CA GLU 154 0.0007 6.4313 6.9600
5366 CA ILE 155 0.0008 6.5089 6.2400
5386 CA LEU 156 0.0008 6.4535 7.3600
5387 CA LEU 156 0.0008 6.4548 6.3700
5424 CA GLU 157 0.0013 7.1038 6.8300
5425 CA GLU 157 0.0013 7.0845 7.4100
5453 CA ARG 158 0.0014 7.1954 7.7600
5478 CA ARG 159 0.0086 15.4602 11.2300

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.