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

* CME3 *

B-factor analysis for ID 240129143344768690

Overall B-factor prediction

Correlation= 0.120 for 165 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 1 112.5228 35.0326 28.0600
10 CA GLY 2 81.6835 33.2947 24.7800
14 CA GLY 3 69.4781 32.6068 23.1200
18 CA SER 4 47.2396 31.3536 26.8900
24 CA ALA 5 43.0879 31.1197 25.4700
29 CA SER 6 28.7218 30.3101 29.4400
35 CA LEU 7 25.4344 30.1248 28.5800
43 CA GLN 8 18.2641 29.7207 29.9400
52 CA HIS 9 16.6254 29.6284 28.6900
62 CA THR 10 14.2801 29.4962 29.8100
69 CA ALA 11 15.0289 29.5384 29.8000
74 CA PRO 12 16.6704 29.6309 30.7300
81 CA PHE 13 15.9335 29.5894 28.0300
92 CA GLY 14 21.7617 29.9178 25.9500
96 CA CYS 15 19.1733 29.7720 29.7700
102 CA GLN 16 31.0185 30.4395 25.0800
111 CA ILE 17 28.4721 30.2960 27.8900
119 CA ALA 18 43.6203 31.1497 24.6400
124 CA THR 19 47.7634 31.3831 27.2700
131 CA ASN 20 68.8459 32.5712 25.4500
139 CA GLY 21 75.9167 32.9697 25.2500
143 CA PRO 22 95.4639 34.0712 24.3000
150 CA GLY 23 87.7377 33.6358 25.5800
154 CA PRO 24 75.3052 32.9352 28.0900
161 CA GLY 25 60.3799 32.0941 27.5000
165 CA ASN 26 47.0583 31.3434 31.1700
173 CA TYR 27 32.5625 30.5265 33.8100
185 CA PRO 28 21.3907 29.8969 32.3100
192 CA ALA 29 17.6140 29.6841 33.2500
197 CA SER 30 9.5723 29.2309 36.2200
203 CA HIS 31 7.2234 29.0986 35.9700
213 CA THR 32 3.8570 28.9089 37.4400
220 CA THR 33 4.9172 28.9686 35.6600
227 CA LEU 34 4.6615 28.9542 36.3100
235 CA GLY 35 8.7746 29.1860 33.1900
239 CA VAL 36 11.8857 29.3613 33.7800
246 CA GLN 37 18.6392 29.7419 32.9100
255 CA ASP 38 26.5118 30.1855 32.6600
263 CA ILE 39 30.7398 30.4238 34.2800
271 CA GLY 40 45.1907 31.2382 33.1900
275 CA PRO 41 51.0517 31.5684 33.5000
282 CA GLY 42 41.7909 31.0466 38.5000
286 CA PRO 43 33.3730 30.5722 36.3400
293 CA GLY 44 23.0862 29.9925 36.3800
297 CA ILE 45 17.2576 29.6640 35.0600
305 CA GLN 46 12.8172 29.4138 35.9100
314 CA VAL 47 6.7765 29.0734 36.9700
321 CA SER 48 4.7207 28.9575 39.0300
327 CA LEU 49 1.3915 28.7699 41.5600
335 CA GLN 50 1.5320 28.7778 37.8100
344 CA ILE 51 1.0604 28.7513 40.1200
352 CA GLY 52 2.7722 28.8477 35.8400
356 CA ILE 53 5.2975 28.9900 36.9400
364 CA LYS 54 9.0783 29.2031 32.9400
373 CA THR 55 13.7765 29.4679 34.4700
380 CA ASP 56 17.9977 29.7057 33.3400
388 CA ASP 57 25.3136 30.1180 36.3100
396 CA SER 58 25.0032 30.1005 34.3100
402 CA HIS 59 28.1669 30.2788 37.6600
412 CA ASP 60 28.9245 30.3215 31.8100
420 CA TRP 61 22.0868 29.9362 38.8400
434 CA THR 62 30.1210 30.3889 26.7200
441 CA GLY 63 26.4603 30.1826 27.7000
445 CA PRO 64 20.9245 29.8707 31.4400
452 CA GLY 65 20.7939 29.8633 25.5900
456 CA PRO 66 18.5226 29.7353 28.2200
463 CA GLY 67 13.1179 29.4307 31.0200
467 CA THR 68 8.5880 29.1755 31.4500
474 CA SER 69 7.3425 29.1053 35.0900
480 CA ALA 70 7.1751 29.0958 33.6600
485 CA PRO 71 4.0934 28.9222 36.1600
492 CA CYS 72 3.7497 28.9028 34.3100
498 CA THR 73 3.7824 28.9046 35.9100
505 CA ILE 74 3.6500 28.8972 38.0000
513 CA THR 75 6.3584 29.0498 35.6900
520 CA GLY 76 7.2955 29.1026 37.7800
524 CA THR 77 11.5959 29.3450 33.1200
531 CA MET 78 10.9152 29.3066 33.6200
539 CA GLY 79 17.1189 29.6562 30.1700
543 CA HIS 80 22.4041 29.9540 28.9400
553 CA PHE 81 22.8675 29.9802 30.0600
564 CA GLY 82 31.4123 30.4617 25.2200
568 CA PRO 83 39.6258 30.9246 28.4800
575 CA GLY 84 42.4059 31.0812 24.5200
579 CA PRO 85 48.4691 31.4229 28.7800
586 CA GLY 86 42.0896 31.0634 27.9200
590 CA HIS 87 34.3547 30.6275 22.7700
600 CA ALA 88 24.9536 30.0977 23.5500
605 CA ALA 89 27.0645 30.2167 21.8900
610 CA VAL 90 21.2520 29.8891 28.2200
617 CA THR 91 27.6807 30.2514 25.0000
624 CA ASN 92 27.1981 30.2242 28.0600
632 CA HIS 93 25.5501 30.1313 32.7200
642 CA LYS 94 20.2631 29.8334 34.0300
651 CA LYS 95 21.8309 29.9217 33.8100
660 CA TRP 96 13.6845 29.4627 34.3100
674 CA GLN 97 16.4697 29.6196 33.0000
683 CA TYR 98 13.1554 29.4329 29.8000
695 CA ASN 99 15.3286 29.5553 30.1200
703 CA SER 100 13.6260 29.4594 29.2500
709 CA PRO 101 21.1285 29.8822 30.5300
716 CA LEU 102 19.9578 29.8162 27.9100
724 CA VAL 103 23.7672 30.0309 30.6400
731 CA PRO 104 38.1022 30.8387 25.8300
738 CA ARG 105 44.4116 31.1942 31.9400
749 CA ASN 106 57.2935 31.9202 28.1200
757 CA ALA 107 65.4262 32.3785 30.2300
762 CA GLU 108 85.6118 33.5160 28.7000
771 CA LEU 109 89.6067 33.7412 29.7800
779 CA GLY 110 83.0774 33.3732 25.9500
783 CA ASP 111 62.2395 32.1989 26.8600
791 CA ARG 112 54.8854 31.7845 28.7800
802 CA GLN 113 41.5935 31.0354 28.3600
811 CA GLY 114 38.2970 30.8497 27.4700
815 CA LYS 115 36.6222 30.7553 27.3600
824 CA ILE 116 28.2779 30.2851 31.3100
832 CA HIS 117 35.5681 30.6959 28.7700
842 CA ILE 118 27.4461 30.2382 31.9200
850 CA PRO 119 36.6974 30.7595 26.2500
857 CA PHE 120 32.0076 30.4952 28.0200
868 CA GLY 121 40.8956 30.9961 24.5500
872 CA PRO 122 40.1582 30.9546 28.8900
879 CA GLY 123 37.1182 30.7832 32.5300
883 CA PRO 124 27.6219 30.2481 36.4700
890 CA GLY 125 20.5752 29.8510 33.6600
894 CA LEU 126 12.5110 29.3965 37.3100
902 CA LEU 127 15.6886 29.5756 35.4700
910 CA SER 128 19.2117 29.7741 36.2800
916 CA MET 129 10.4868 29.2825 38.0300
924 CA VAL 130 7.5217 29.1154 38.4100
931 CA GLY 131 15.3043 29.5539 35.0000
935 CA MET 132 16.6552 29.6301 34.4700
943 CA ALA 133 8.6171 29.1771 35.4100
948 CA VAL 134 9.8799 29.2483 35.3400
955 CA GLY 135 20.4480 29.8438 32.1900
959 CA MET 136 19.3887 29.7841 32.1900
967 CA CYS 137 12.9065 29.4188 31.5600
973 CA MET 138 21.5585 29.9064 33.9700
981 CA GLY 139 33.3841 30.5728 29.7500
985 CA PRO 140 44.7737 31.2147 30.5600
992 CA GLY 141 45.2848 31.2435 25.4400
996 CA PRO 142 52.8834 31.6717 28.7200
1003 CA GLY 143 48.5825 31.4293 25.2300
1007 CA VAL 144 56.7756 31.8910 25.1200
1014 CA VAL 145 63.7504 32.2841 27.0300
1021 CA ASP 146 63.0240 32.2431 23.0800
1029 CA THR 147 87.6868 33.6330 27.6600
1036 CA THR 148 84.4888 33.4527 26.2700
1043 CA GLY 149 83.7425 33.4107 37.7500
1047 CA SER 150 58.7626 32.0030 26.8000
1053 CA THR 151 58.9770 32.0151 29.8900
1060 CA LYS 152 47.7748 31.3838 29.1600
1069 CA PRO 153 43.9011 31.1655 31.4400
1076 CA ASP 154 72.3311 32.7676 33.2800
1084 CA PRO 155 98.2076 34.2258 36.2800
1091 CA GLY 156 124.1007 35.6850 36.0600
1095 CA ASP 157 127.5816 35.8812 33.3400
1103 CA ARG 158 208.0250 40.4145 36.9400
1114 CA SER 159 237.6163 42.0820 37.5300
1120 CA HIS 160 264.6359 43.6047 37.0900
1130 CA HIS 161 323.7337 46.9351 36.5300
1140 CA HIS 162 369.9044 49.5370 36.7200
1150 CA HIS 163 415.3362 52.0972 33.7200
1160 CA HIS 164 485.6400 56.0591 36.5600
1170 CA HIS 165 556.5488 60.0551 40.4100

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.