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

* 1bkz_monomerB *

B-factor analysis for ID 240416191010734120

Overall B-factor prediction

Correlation= 0.670 for 135 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 SER 1 0.5274 134.3184 82.7300
8 CA ASN 2 0.1708 64.8848 76.0400
16 CA VAL 3 0.1548 61.7718 60.0100
23 CA PRO 4 0.0371 38.8597 43.0600
30 CA HIS 5 0.0231 36.1315 31.6300
40 CA LYS 6 0.0240 36.3168 28.7600
49 CA SER 7 0.0200 35.5355 30.6400
55 CA SER 8 0.0331 38.0750 34.9700
61 CA LEU 9 0.0215 35.8234 42.2500
69 CA PRO 10 0.1035 51.7896 54.5700
76 CA GLU 11 0.1284 56.6280 60.1600
85 CA GLY 12 0.0269 36.8693 51.5900
89 CA ILE 13 0.0163 34.8012 39.9800
97 CA ARG 14 0.0289 37.2626 35.7200
108 CA PRO 15 0.0307 37.6056 29.3200
115 CA GLY 16 0.0367 38.7876 25.5900
119 CA THR 17 0.0186 35.2584 25.0400
126 CA VAL 18 0.0162 34.7860 23.9200
133 CA LEU 19 0.0101 33.6095 22.7900
141 CA ARG 20 0.0144 34.4467 25.4000
152 CA ILE 21 0.0100 33.5835 28.4100
160 CA ARG 22 0.0156 34.6792 30.6000
171 CA GLY 23 0.0176 35.0716 33.3100
175 CA LEU 24 0.0183 35.1992 40.5600
183 CA VAL 25 0.0142 34.4099 43.1800
190 CA PRO 26 0.0245 36.4147 49.1800
197 CA PRO 27 0.0524 41.8343 50.2600
204 CA ASN 28 0.0623 43.7681 52.9800
212 CA ALA 29 0.0214 35.8046 46.0400
217 CA SER 30 0.0231 36.1342 40.4800
223 CA ARG 31 0.0139 34.3331 37.5500
234 CA PHE 32 0.0087 33.3225 30.4700
245 CA HIS 33 0.0093 33.4476 29.9800
255 CA VAL 34 0.0069 32.9822 22.3800
262 CA ASN 35 0.0082 33.2388 23.5300
270 CA LEU 36 0.0060 32.8095 24.6800
278 CA LEU 37 0.0085 33.2818 26.1900
286 CA CYS 38 0.0122 34.0080 33.1400
292 CA GLY 39 0.0239 36.2841 37.1000
296 CA GLU 40 0.0481 41.0000 45.2300
305 CA GLU 41 0.0993 50.9667 53.7000
314 CA GLN 42 0.2190 74.2748 54.6500
323 CA GLY 43 0.1714 64.9993 50.3400
327 CA SER 44 0.0384 39.1196 42.1600
333 CA ASP 45 0.0153 34.6178 38.5900
341 CA ALA 46 0.0087 33.3295 33.6800
346 CA ALA 47 0.0056 32.7183 30.4700
351 CA LEU 48 0.0052 32.6524 28.0300
359 CA HIS 49 0.0077 33.1388 28.5300
369 CA PHE 50 0.0060 32.8054 30.1500
380 CA ASN 51 0.0081 33.2156 32.0800
388 CA PRO 52 0.0074 33.0768 36.8300
395 CA ARG 53 0.0124 34.0485 38.3900
406 CA LEU 54 0.0155 34.6467 42.1900
414 CA ASP 55 0.0378 38.9913 51.7900
422 CA THR 56 0.0392 39.2667 51.7900
429 CA SER 57 0.0313 37.7354 53.2900
435 CA GLU 58 0.0165 34.8585 50.4600
444 CA VAL 59 0.0085 33.2861 41.8400
451 CA VAL 60 0.0085 33.2969 36.3000
458 CA PHE 61 0.0072 33.0304 34.2500
469 CA ASN 62 0.0091 33.4161 35.8500
477 CA SER 63 0.0101 33.6071 37.6200
483 CA LYS 64 0.0168 34.9132 40.7800
492 CA GLU 65 0.0291 37.3006 50.6200
501 CA GLN 66 0.0739 46.0226 60.0500
510 CA GLY 67 0.0614 43.5830 58.6000
514 CA SER 68 0.0787 46.9576 56.9800
520 CA TRP 69 0.0333 38.1289 55.4100
534 CA GLY 70 0.0358 38.6087 45.5600
538 CA ARG 71 0.0495 41.2705 49.6900
549 CA GLU 72 0.0178 35.0968 46.1000
558 CA GLU 73 0.0122 34.0137 39.7000
567 CA ARG 74 0.0150 34.5530 43.3700
578 CA GLY 75 0.0140 34.3712 44.0500
582 CA PRO 76 0.0439 40.1843 44.5300
589 CA GLY 77 0.0353 38.5030 44.5000
593 CA VAL 78 0.0173 35.0100 40.8100
600 CA PRO 79 0.0163 34.8004 40.5400
607 CA PHE 80 0.0135 34.2642 42.0000
618 CA GLN 81 0.0348 38.4177 49.4100
627 CA ARG 82 0.0285 37.1890 47.9300
638 CA GLY 83 0.0383 39.0921 47.9700
642 CA GLN 84 0.0379 39.0168 45.7200
651 CA PRO 85 0.0346 38.3669 40.1400
658 CA PHE 86 0.0142 34.3961 36.0700
669 CA GLU 87 0.0157 34.6862 34.1700
678 CA VAL 88 0.0094 33.4682 30.9800
685 CA LEU 89 0.0107 33.7179 26.7300
693 CA ILE 90 0.0079 33.1755 25.1400
701 CA ILE 91 0.0120 33.9683 24.1400
709 CA ALA 92 0.0118 33.9280 23.8900
714 CA SER 93 0.0173 35.0115 31.4000
720 CA ASP 94 0.0507 41.5165 36.6000
728 CA ASP 95 0.0355 38.5401 36.1900
736 CA GLY 96 0.0130 34.1721 28.2000
740 CA PHE 97 0.0078 33.1473 24.1600
751 CA LYS 98 0.0107 33.7179 28.3300
760 CA ALA 99 0.0090 33.3951 23.9100
765 CA VAL 100 0.0130 34.1609 24.0300
772 CA VAL 101 0.0136 34.2878 31.7900
779 CA GLY 102 0.0363 38.7046 44.5800
783 CA ASP 103 0.1145 53.9337 44.9900
791 CA ALA 104 0.0992 50.9583 39.0000
796 CA GLN 105 0.0248 36.4643 40.0100
805 CA TYR 106 0.0139 34.3518 32.5600
817 CA HIS 107 0.0115 33.8706 32.9400
827 CA HIS 108 0.0136 34.2925 33.1100
837 CA PHE 109 0.0084 33.2785 29.3400
848 CA ARG 110 0.0160 34.7569 29.7200
859 CA HIS 111 0.0132 34.2086 31.3900
869 CA ARG 112 0.0122 34.0091 35.1800
880 CA LEU 113 0.0126 34.0803 36.2500
888 CA PRO 114 0.0249 36.4838 35.5100
895 CA LEU 115 0.0151 34.5758 37.2500
903 CA ALA 116 0.0256 36.6241 37.4900
908 CA ARG 117 0.0184 35.2274 34.6400
919 CA VAL 118 0.0097 33.5156 31.1500
926 CA ARG 119 0.0137 34.2956 31.0700
937 CA LEU 120 0.0110 33.7763 29.6900
945 CA VAL 121 0.0095 33.4788 28.7600
952 CA GLU 122 0.0115 33.8658 26.5900
961 CA VAL 123 0.0106 33.7072 27.2700
968 CA GLY 124 0.0154 34.6341 28.1700
972 CA GLY 125 0.0201 35.5566 30.7900
976 CA ASP 126 0.0172 34.9829 33.6200
984 CA VAL 127 0.0136 34.2788 34.9300
991 CA GLN 128 0.0298 37.4355 41.6900
1000 CA LEU 129 0.0197 35.4782 40.0900
1008 CA ASP 130 0.0392 39.2599 42.3200
1016 CA SER 131 0.0264 36.7668 34.4000
1022 CA VAL 132 0.0165 34.8447 30.6800
1029 CA ARG 133 0.0251 36.5202 28.5300
1040 CA ILE 134 0.0195 35.4404 29.6900
1048 CA PHE 135 0.0457 40.5320 29.4200

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.