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

* OXIDOREDUCTASE 21-OCT-88 7DFR *

B-factor analysis for ID 2404052354412484964

Overall B-factor prediction

Correlation= 0.471 for 159 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 0.0285 41.4421 55.6900
10 CA ILE 2 0.0114 36.6835 48.4900
18 CA SER 3 0.0080 35.7506 42.0700
24 CA LEU 4 0.0066 35.3605 44.2300
32 CA ILE 5 0.0065 35.3090 31.7100
40 CA ALA 6 0.0070 35.4475 29.2400
45 CA ALA 7 0.0090 36.0255 29.7700
50 CA LEU 8 0.0098 36.2289 35.4200
58 CA ALA 9 0.0139 37.3881 36.8500
63 CA VAL 10 0.0313 42.2135 46.6100
70 CA ASP 11 0.0395 44.5034 49.1800
78 CA ARG 12 0.0183 38.6122 45.8200
89 CA VAL 13 0.0152 37.7282 38.4600
96 CA ILE 14 0.0135 37.2564 39.3100
104 CA GLY 15 0.0255 40.6043 36.7700
108 CA MET 16 0.0380 44.0709 52.2900
116 CA GLU 17 0.1196 66.7699 61.5600
121 CA ASN 18 0.0561 49.1270 62.0100
129 CA ALA 19 0.0684 52.5267 57.9000
134 CA MET 20 0.0324 42.5132 50.4700
142 CA PRO 21 0.0293 41.6543 48.2500
149 CA TRP 22 0.0299 41.8308 41.2300
163 CA ASN 23 0.0427 45.3880 46.4900
171 CA LEU 24 0.0216 39.5342 32.1900
179 CA PRO 25 0.0418 45.1512 27.1300
186 CA ALA 26 0.0225 39.7834 29.5700
191 CA ASP 27 0.0129 37.1010 29.5200
199 CA LEU 28 0.0261 40.7756 34.7400
207 CA ALA 29 0.0268 40.9763 33.9300
212 CA TRP 30 0.0129 37.1031 33.9200
226 CA PHE 31 0.0143 37.4775 38.5200
237 CA LYS 32 0.0204 39.1850 41.0100
246 CA ARG 33 0.0223 39.7282 44.6500
257 CA ASN 34 0.0144 37.5069 41.4000
265 CA THR 35 0.0137 37.3151 40.1000
272 CA LEU 36 0.0209 39.3404 41.7900
280 CA ASP 37 0.0362 43.5820 41.9200
288 CA LYS 38 0.0152 37.7485 39.4700
297 CA PRO 39 0.0111 36.6104 38.8500
304 CA VAL 40 0.0083 35.8288 35.5900
311 CA ILE 41 0.0067 35.3885 37.1700
319 CA MET 42 0.0092 36.0697 40.2800
327 CA GLY 43 0.0139 37.3935 44.2200
331 CA ARG 44 0.0231 39.9373 45.1400
338 CA HIS 45 0.0331 42.7299 43.3900
348 CA THR 46 0.0229 39.8842 38.0800
355 CA TRP 47 0.0213 39.4379 41.1700
369 CA GLU 48 0.0367 43.7260 44.5200
374 CA SER 49 0.0595 50.0487 46.0500
380 CA ILE 50 0.0429 45.4580 36.8500
388 CA GLY 51 0.0671 52.1889 40.9900
392 CA ARG 52 0.0447 45.9595 43.1300
398 CA PRO 53 0.0309 42.1163 35.4100
405 CA LEU 54 0.0248 40.4249 36.2900
413 CA PRO 55 0.0643 51.3853 36.0200
420 CA GLY 56 0.0424 45.3142 34.2800
424 CA ARG 57 0.0183 38.6155 38.6500
435 CA LYS 58 0.0155 37.8361 40.3500
444 CA ASN 59 0.0121 36.8727 40.7100
452 CA ILE 60 0.0086 35.9071 40.9700
460 CA ILE 61 0.0104 36.4095 40.4100
468 CA LEU 62 0.0142 37.4630 45.7500
476 CA SER 63 0.0351 43.2826 51.4500
482 CA SER 64 0.0994 61.1721 57.4400
488 CA GLN 65 0.0938 59.5999 59.1100
497 CA PRO 66 0.1273 68.9154 60.7900
504 CA GLY 67 0.0907 58.7403 59.6800
508 CA THR 68 0.0872 57.7563 53.4000
515 CA ASP 69 0.0523 48.0679 45.7200
523 CA ASP 70 0.0905 58.6733 47.6700
531 CA ARG 71 0.0586 49.8098 42.7100
542 CA VAL 72 0.0234 40.0357 43.7500
549 CA THR 73 0.0187 38.7162 42.4100
556 CA TRP 74 0.0187 38.7126 43.5000
570 CA VAL 75 0.0207 39.2620 42.8000
577 CA LYS 76 0.0448 45.9789 53.9500
586 CA SER 77 0.0503 47.4969 51.1700
592 CA VAL 78 0.0305 42.0013 50.3700
599 CA ASP 79 0.0555 48.9444 55.6900
607 CA GLU 80 0.0337 42.8962 51.9800
616 CA ALA 81 0.0181 38.5515 47.3900
621 CA ILE 82 0.0291 41.6169 48.1500
629 CA ALA 83 0.0528 48.2036 54.1800
634 CA ALA 84 0.0270 41.0138 49.5900
639 CA CYS 85 0.0275 41.1595 54.3100
645 CA GLY 86 0.1238 67.9472 59.3900
649 CA ASP 87 0.2213 95.0548 64.7000
657 CA VAL 88 0.0677 52.3491 59.8900
664 CA PRO 89 0.0752 54.4313 53.1500
671 CA GLU 90 0.0163 38.0370 43.6700
680 CA ILE 91 0.0103 36.3866 41.9300
688 CA MET 92 0.0074 35.5846 39.5300
696 CA VAL 93 0.0074 35.5592 37.9800
703 CA ILE 94 0.0084 35.8550 31.0000
711 CA GLY 95 0.0117 36.7555 29.0500
715 CA GLY 96 0.0158 37.9202 31.0700
719 CA GLY 97 0.0180 38.5263 36.2900
723 CA ARG 98 0.0391 44.3822 36.5000
728 CA VAL 99 0.0131 37.1583 34.3000
735 CA TYR 100 0.0108 36.5208 40.3100
747 CA GLU 101 0.0208 39.3044 49.3800
756 CA GLN 102 0.0237 40.1148 52.1100
765 CA PHE 103 0.0120 36.8531 47.7100
776 CA LEU 104 0.0130 37.1370 45.1100
784 CA PRO 105 0.0416 45.0853 45.1500
791 CA LYS 106 0.0211 39.3897 50.6100
797 CA ALA 107 0.0126 37.0322 47.9500
802 CA GLN 108 0.0140 37.4044 52.4800
811 CA LYS 109 0.0090 36.0241 47.6600
820 CA LEU 110 0.0069 35.4380 43.1300
828 CA TYR 111 0.0068 35.4011 34.9900
840 CA LEU 112 0.0066 35.3473 29.3700
848 CA THR 113 0.0074 35.5819 25.5200
855 CA HIS 114 0.0102 36.3437 26.3300
865 CA ILE 115 0.0112 36.6198 34.4900
873 CA ASP 116 0.0274 41.1209 39.3500
879 CA ALA 117 0.0302 41.9243 41.0800
884 CA GLU 118 0.0559 49.0532 47.8200
893 CA VAL 119 0.0375 43.9432 43.7100
900 CA GLU 120 0.0670 52.1435 49.2100
907 CA GLY 121 0.0324 42.5196 50.6200
911 CA ASP 122 0.0491 47.1591 48.1700
919 CA THR 123 0.0298 41.7954 42.3900
926 CA HIS 124 0.0193 38.8923 37.8600
936 CA PHE 125 0.0112 36.6404 37.5100
947 CA PRO 126 0.0165 38.1004 48.1800
954 CA ASP 127 0.0396 44.5362 56.2200
962 CA TYR 128 0.0214 39.4742 54.8900
974 CA GLU 129 0.0795 55.6266 58.6700
978 CA PRO 130 0.0714 53.3723 57.3300
985 CA ASP 131 0.1323 70.3055 60.1500
989 CA ASP 132 0.0431 45.4977 61.6000
997 CA TRP 133 0.0197 38.9983 52.8100
1011 CA GLU 134 0.0319 42.3904 51.8400
1020 CA SER 135 0.0298 41.7989 43.5000
1026 CA VAL 136 0.0394 44.4686 36.0400
1033 CA PHE 137 0.0316 42.2967 32.7400
1044 CA SER 138 0.0302 41.9257 34.8700
1050 CA GLU 139 0.0271 41.0626 35.9300
1059 CA PHE 140 0.0385 44.2137 28.2800
1070 CA HIS 141 0.0297 41.7862 27.9900
1080 CA ASP 142 0.0519 47.9416 36.0500
1088 CA ALA 143 0.0437 45.6636 29.6000
1093 CA ASP 144 0.0883 58.0656 30.2500
1101 CA ALA 145 0.2130 92.7555 36.0800
1106 CA GLN 146 0.0865 57.5826 45.7700
1115 CA ASN 147 0.0345 43.1069 38.0700
1123 CA SER 148 0.0458 46.2574 34.0900
1129 CA HIS 149 0.0252 40.5346 29.9800
1139 CA SER 150 0.0236 40.0663 27.7900
1145 CA TYR 151 0.0148 37.6378 30.3600
1157 CA CYS 152 0.0132 37.1770 32.7900
1163 CA PHE 153 0.0098 36.2532 32.5200
1174 CA GLU 154 0.0105 36.4461 34.0400
1183 CA ILE 155 0.0114 36.6956 38.5200
1191 CA LEU 156 0.0112 36.6321 46.2800
1199 CA GLU 157 0.0173 38.3126 51.5600
1208 CA ARG 158 0.0196 38.9584 55.1500
1219 CA ARG 159 0.0564 49.2068 66.6700

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.