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

* TRANSCRIPTION/DNA 28-JUN-93 1GAT *

B-factor analysis for ID 2401041811253864911

Overall B-factor prediction

Correlation= 0.813 for 60 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
512 CA LYS 1 0.0791 2.9178 3.2400
536 CA ARG 2 0.0188 1.0061 1.1900
560 CA ALA 3 0.0406 1.6964 1.0900
570 CA GLY 4 0.0393 1.6548 0.8000
577 CA THR 5 0.0066 0.6182 0.5400
591 CA VAL 6 0.0060 0.5983 0.4900
607 CA CYS 7 0.0029 0.4994 0.3900
617 CA SER 8 0.0059 0.5952 0.6000
628 CA ASN 9 0.0039 0.5326 0.5800
642 CA CYS 10 0.0041 0.5381 0.4900
652 CA GLN 11 0.0061 0.6036 0.5200
669 CA THR 12 0.0038 0.5290 0.4000
683 CA SER 13 0.0052 0.5740 0.4600
694 CA THR 14 0.0053 0.5772 0.4500
708 CA THR 15 0.0030 0.5036 0.3100
722 CA THR 16 0.0029 0.4998 0.4100
736 CA LEU 17 0.0029 0.4999 0.4800
755 CA TRP 18 0.0033 0.5121 0.3900
779 CA ARG 19 0.0032 0.5099 0.5100
803 CA ARG 20 0.0071 0.6342 0.6200
827 CA SER 21 0.0114 0.7693 0.8400
838 CA PRO 22 0.0435 1.7886 1.2100
852 CA MET 23 0.0577 2.2402 1.3100
869 CA GLY 24 0.0280 1.2956 1.0700
876 CA ASP 25 0.0105 0.7402 0.7000
888 CA PRO 26 0.0040 0.5368 0.5400
902 CA VAL 27 0.0025 0.4874 0.3900
918 CA CYS 28 0.0020 0.4733 0.3200
928 CA ASN 29 0.0020 0.4725 0.4400
942 CA ALA 30 0.0021 0.4740 0.4100
952 CA CYS 31 0.0023 0.4828 0.4000
962 CA GLY 32 0.0030 0.5040 0.4700
969 CA LEU 33 0.0029 0.5006 0.4800
988 CA TYR 34 0.0037 0.5267 0.5800
1009 CA TYR 35 0.0047 0.5585 0.6200
1030 CA LYS 36 0.0085 0.6792 0.7700
1052 CA LEU 37 0.0068 0.6233 0.8900
1071 CA HIS 38 0.0110 0.7582 1.0200
1088 CA GLN 39 0.0131 0.8247 1.0500
1105 CA VAL 40 0.0126 0.8075 1.0000
1121 CA ASN 41 0.0115 0.7744 0.9900
1135 CA ARG 42 0.0053 0.5778 1.3400
1159 CA PRO 43 0.0128 0.8145 1.3100
1173 CA LEU 44 0.0080 0.6634 0.9100
1192 CA THR 45 0.0203 1.0540 0.9500
1206 CA MET 46 0.0079 0.6588 0.8500
1223 CA ARG 47 0.0059 0.5966 0.8400
1247 CA LYS 48 0.0117 0.7789 1.0000
1269 CA ASP 49 0.0291 1.3301 1.1600
1281 CA GLY 50 0.0151 0.8874 0.7000
1288 CA ILE 51 0.0060 0.5975 0.5300
1307 CA GLN 52 0.0061 0.6017 0.6300
1324 CA THR 53 0.0093 0.7024 0.5900
1338 CA ARG 54 0.0156 0.9021 0.8300
1362 CA ASN 55 0.0162 0.9231 0.9500
1376 CA ARG 56 0.0108 0.7506 0.9600
1400 CA LYS 57 0.0062 0.6067 0.8600
1422 CA VAL 58 0.0149 0.8802 1.0700
1438 CA SER 59 0.0208 1.0681 1.3300
1449 CA SER 60 0.0287 1.3178 1.8600

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.