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

* D91A *

B-factor analysis for ID 2503190611393482658

Overall B-factor prediction

Correlation= 0.583 for 130 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 LYS 1 0.0146 14.9748 18.2500
17 CA VAL 2 0.0163 15.4550 14.6600
25 CA PHE 3 0.0100 13.6417 12.2900
37 CA GLU 4 0.0211 16.8274 16.5500
47 CA ARG 5 0.0111 13.9547 13.7000
64 CA CYS 6 0.0108 13.8630 12.4200
71 CA GLU 7 0.0114 14.0338 12.0700
81 CA LEU 8 0.0067 12.7059 10.9000
90 CA ALA 9 0.0068 12.7151 11.3600
96 CA ARG 10 0.0108 13.8621 12.2600
113 CA THR 11 0.0096 13.5201 11.6000
122 CA LEU 12 0.0070 12.7903 11.1800
131 CA LYS 13 0.0109 13.8899 11.9700
144 CA ARG 14 0.0275 18.6691 12.9600
173 CA LEU 15 0.0126 14.4017 11.7100
182 CA GLY 16 0.0176 15.8277 13.4800
187 CA MET 17 0.0079 13.0454 11.6000
196 CA ASP 18 0.0104 13.7479 14.4100
205 CA GLY 19 0.0177 15.8489 15.0500
210 CA TYR 20 0.0115 14.0752 11.9500
224 CA ARG 21 0.0193 16.3174 14.2800
241 CA GLY 22 0.0697 30.7954 12.7600
246 CA ILE 23 0.0104 13.7531 11.7700
255 CA SER 24 0.0095 13.5010 11.9700
263 CA LEU 25 0.0061 12.5094 12.2300
276 CA ALA 26 0.0062 12.5525 12.1600
282 CA ASN 27 0.0056 12.3926 11.7200
293 CA TRP 28 0.0046 12.0824 10.7700
309 CA MET 29 0.0042 11.9874 10.6100
318 CA CYS 30 0.0051 12.2253 11.4700
325 CA LEU 31 0.0049 12.1642 12.2700
334 CA ALA 32 0.0059 12.4735 11.1200
340 CA LYS 33 0.0081 13.0898 12.8800
353 CA TRP 34 0.0124 14.3400 13.4600
369 CA GLU 35 0.0078 13.0192 13.1100
379 CA SER 36 0.0089 13.3168 13.2500
387 CA GLY 37 0.0115 14.0610 14.6200
392 CA TYR 38 0.0087 13.2761 12.4100
406 CA ASN 39 0.0102 13.7072 13.0000
417 CA THR 40 0.0087 13.2681 12.6800
426 CA ARG 41 0.0140 14.7841 16.4600
455 CA ALA 42 0.0098 13.5863 15.2400
461 CA THR 43 0.0163 15.4520 16.6300
470 CA ASN 44 0.0229 17.3351 17.3600
481 CA TYR 45 0.0279 18.7792 19.2600
495 CA ASN 46 0.0325 20.1055 18.0700
506 CA ALA 47 0.0775 33.0446 23.8000
512 CA GLY 48 0.1288 47.7654 22.0700
517 CA ASP 49 0.0477 24.4785 20.3500
526 CA ARG 50 0.0314 19.7904 19.6800
543 CA SER 51 0.0148 15.0179 15.6200
551 CA THR 52 0.0093 13.4482 11.9400
560 CA ASP 53 0.0084 13.1839 12.5900
569 CA TYR 54 0.0066 12.6704 11.1000
583 CA GLY 55 0.0068 12.7139 11.2200
588 CA ILE 56 0.0057 12.3944 11.0600
597 CA PHE 57 0.0053 12.3037 11.5800
609 CA GLN 58 0.0075 12.9117 11.5900
621 CA ILE 59 0.0054 12.3291 12.6900
630 CA ASN 60 0.0075 12.9296 12.2300
641 CA SER 61 0.0065 12.6276 12.0900
649 CA ARG 62 0.0122 14.2823 16.6100
666 CA TYR 63 0.0138 14.7335 17.9700
680 CA TRP 64 0.0074 12.8983 13.1500
696 CA CYS 65 0.0071 12.7991 12.6000
703 CA ASN 66 0.0110 13.9231 12.0700
714 CA ASP 67 0.0160 15.3584 13.4200
723 CA GLY 68 0.0560 26.8481 14.7100
728 CA LYS 69 0.0362 21.1808 17.6000
741 CA THR 70 0.0190 16.2260 18.0100
750 CA PRO 71 0.0455 23.8358 23.9600
757 CA GLY 72 0.0867 35.6935 31.9800
762 CA ALA 73 0.0209 16.7717 26.1000
768 CA VAL 74 0.0297 19.2892 27.9900
776 CA ASN 75 0.0141 14.8196 17.5800
787 CA ALA 76 0.0152 15.1386 15.8400
793 CA CYS 77 0.0127 14.4129 15.1500
800 CA HIS 78 0.0352 20.8690 16.7100
812 CA LEU 79 0.0139 14.7597 16.1400
821 CA SER 80 0.0183 16.0294 13.2300
829 CA CYS 81 0.0098 13.5901 11.8200
836 CA SER 82 0.0212 16.8474 13.5400
847 CA ALA 83 0.0150 15.0763 12.5600
853 CA LEU 84 0.0074 12.8982 12.7100
862 CA LEU 85 0.0106 13.8256 13.5400
871 CA GLN 86 0.0154 15.1864 14.0100
883 CA ASP 87 0.0181 15.9572 14.6100
892 CA ASN 88 0.0222 17.1547 17.7900
903 CA ILE 89 0.0107 13.8543 12.7000
912 CA ALA 90 0.0266 18.4233 11.8800
918 CA ALA 91 0.0162 15.4256 13.0600
924 CA ALA 92 0.0083 13.1643 12.9200
930 CA VAL 93 0.0090 13.3609 11.5800
938 CA ALA 94 0.0123 14.3140 14.0300
944 CA CYS 95 0.0080 13.0570 11.4600
951 CA ALA 96 0.0072 12.8432 11.0900
957 CA LYS 97 0.0086 13.2261 11.6700
970 CA ARG 98 0.0104 13.7512 12.8700
987 CA VAL 99 0.0077 12.9875 12.3300
995 CA VAL 100 0.0085 13.2232 12.6500
1003 CA ARG 101 0.0147 14.9828 17.7800
1020 CA ASP 102 0.0175 15.7935 18.6000
1029 CA PRO 103 0.0515 25.5687 24.3900
1036 CA GLN 104 0.0258 18.1959 21.2300
1048 CA GLY 105 0.0142 14.8568 17.9100
1053 CA ILE 106 0.0084 13.1771 17.1100
1062 CA ARG 107 0.0149 15.0411 17.1300
1079 CA ALA 108 0.0155 15.2295 21.5800
1085 CA TRP 109 0.0108 13.8641 16.7900
1101 CA VAL 110 0.0229 17.3530 20.7700
1109 CA ALA 111 0.0145 14.9467 20.0800
1115 CA TRP 112 0.0095 13.4948 14.2700
1131 CA ARG 113 0.0176 15.8133 16.4300
1148 CA ASN 114 0.0266 18.4082 17.9900
1159 CA ARG 115 0.0159 15.3305 17.3800
1176 CA CYS 116 0.0106 13.8168 14.6700
1183 CA GLN 117 0.0189 16.2031 18.2000
1195 CA ASN 118 0.0585 27.5788 28.5500
1206 CA ARG 119 0.0313 19.7717 29.4100
1223 CA ASP 120 0.0422 22.9001 27.3500
1232 CA VAL 121 0.0112 13.9913 21.1300
1240 CA ARG 122 0.0155 15.2171 27.6500
1269 CA GLN 123 0.0165 15.5044 28.1900
1281 CA TYR 124 0.0075 12.9378 20.5700
1295 CA VAL 125 0.0093 13.4447 19.0400
1303 CA GLN 126 0.0216 16.9797 29.0600
1322 CA GLY 127 0.0491 24.8721 25.3300
1327 CA CYS 128 0.0176 15.8294 20.3700
1334 CA GLY 129 0.0427 23.0247 29.2900
1339 CA VAL 130 0.0189 16.2028 25.2700

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 8th, 2025.

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