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

* calmodulin-3 *

B-factor analysis for ID 240624133646549518

Overall B-factor prediction

Correlation= 0.086 for 143 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 THR 5 1.1941 42.8656 40.6200
9 CA GLU 6 1.1868 42.6540 40.3400
18 CA GLU 7 1.0532 38.8187 38.0200
27 CA GLN 8 0.7010 28.7035 35.0100
36 CA ILE 9 0.4676 22.0013 35.2900
44 CA ALA 10 0.5689 24.9103 34.3900
49 CA GLU 11 0.4870 22.5570 35.7700
58 CA PHE 12 0.2288 15.1420 31.9400
69 CA LYS 13 0.2644 16.1661 27.4400
78 CA GLU 14 0.3834 19.5835 25.9600
87 CA ALA 15 0.2303 15.1853 24.4800
92 CA PHE 16 0.1239 12.1291 21.0000
103 CA SER 17 0.3038 17.2959 22.0900
109 CA LEU 18 0.3752 19.3467 22.0300
117 CA PHE 19 0.2576 15.9689 20.7300
128 CA ASP 20 0.3322 18.1133 18.4300
136 CA LYS 21 0.6430 27.0379 19.3100
145 CA ASP 22 0.9286 35.2388 20.8600
153 CA GLY 23 0.7291 29.5108 18.4400
157 CA ASP 24 0.7940 31.3759 13.8500
165 CA GLY 25 0.4458 21.3757 12.6100
169 CA THR 26 0.2957 17.0652 11.6000
176 CA ILE 27 0.2331 15.2669 11.7600
184 CA THR 28 0.4479 21.4341 15.5200
191 CA THR 29 0.6124 26.1595 19.2600
198 CA LYS 30 0.8115 31.8763 19.0600
207 CA GLU 31 0.5516 24.4132 13.4900
216 CA LEU 32 0.4509 21.5216 15.0100
224 CA GLY 33 0.8158 31.9998 13.0000
228 CA THR 34 0.9161 34.8798 16.8000
235 CA VAL 35 0.6984 28.6288 16.1500
242 CA MET 36 0.9142 34.8277 20.9500
250 CA ARG 37 1.3183 46.4311 24.0600
261 CA SER 38 1.3251 46.6261 25.2200
267 CA LEU 39 1.3876 48.4231 27.5200
275 CA GLY 40 1.9443 64.4104 29.3200
279 CA GLN 41 1.7104 57.6913 29.1000
288 CA ASN 42 1.7692 59.3818 28.0800
296 CA PRO 43 1.5285 52.4668 24.9300
303 CA THR 44 1.7552 58.9773 22.2300
310 CA GLU 45 1.4199 49.3486 25.1400
319 CA ALA 46 1.5545 53.2160 21.8900
324 CA GLU 47 1.3328 46.8491 19.0100
333 CA LEU 48 0.8795 33.8302 18.7100
341 CA GLN 49 0.8961 34.3063 20.2100
350 CA ASP 50 0.9785 36.6723 16.8800
358 CA MET 51 0.6494 27.2211 17.3300
366 CA ILE 52 0.4328 21.0013 16.6400
374 CA ASN 53 0.6391 26.9259 21.5800
382 CA GLU 54 0.6438 27.0623 23.5000
391 CA VAL 55 0.3354 18.2052 21.9500
398 CA ASP 56 0.3703 19.2065 22.4400
406 CA ALA 57 0.5386 24.0387 23.1500
411 CA ASP 58 0.7404 29.8352 21.4200
419 CA GLY 59 0.7974 31.4731 18.4600
423 CA ASN 60 0.7827 31.0500 17.3400
431 CA GLY 61 0.6306 26.6821 16.0400
435 CA THR 62 0.3694 19.1816 14.6900
442 CA ILE 63 0.1714 13.4935 13.5300
450 CA ASP 64 0.1745 13.5828 12.5100
458 CA PHE 65 0.1324 12.3732 14.5300
469 CA PRO 66 0.2147 14.7379 14.4900
476 CA GLU 67 0.1679 13.3953 17.1100
485 CA PHE 68 0.0745 10.7124 20.4700
496 CA LEU 69 0.1431 12.6810 28.2800
504 CA THR 70 0.2753 16.4772 34.2600
511 CA MET 71 0.2668 16.2349 37.5600
519 CA MET 72 0.2542 15.8738 41.1500
527 CA ALA 73 0.3809 19.5112 42.6800
532 CA ARG 74 0.5265 23.6926 46.9400
543 CA LYS 75 0.5162 23.3969 48.2900
552 CA MET 76 0.5366 23.9830 51.5300
560 CA LYS 77 0.6484 27.1943 52.1900
569 CA ASP 78 0.6930 28.4732 52.7700
577 CA THR 79 0.6985 28.6309 54.9500
584 CA ASP 80 0.6868 28.2959 55.3000
592 CA SER 81 0.6082 26.0388 52.8200
598 CA GLU 82 0.6011 25.8340 51.0600
607 CA GLU 83 0.6300 26.6655 49.3000
616 CA GLU 84 0.5095 23.2054 45.3200
625 CA ILE 85 0.3519 18.6787 38.0500
633 CA ARG 86 0.4747 22.2053 35.3700
644 CA GLU 87 0.4747 22.2042 30.6800
653 CA ALA 88 0.2677 16.2605 26.5000
658 CA PHE 89 0.2523 15.8175 25.4000
669 CA ARG 90 0.4699 22.0663 25.3100
680 CA VAL 91 0.4285 20.8770 26.1300
687 CA PHE 92 0.2110 14.6304 26.0700
698 CA ASP 93 0.3859 19.6541 26.4600
706 CA LYS 94 0.6146 26.2230 33.2400
715 CA ASP 95 0.9664 36.3245 35.2200
723 CA GLY 96 1.0284 38.1054 35.3800
727 CA ASN 97 1.1284 40.9768 32.7700
735 CA GLY 98 0.8808 33.8662 27.9200
739 CA TYR 99 0.5770 25.1439 28.0300
751 CA ILE 100 0.2810 16.6418 22.9800
759 CA SER 101 0.3712 19.2322 21.4200
765 CA ALA 102 0.3371 18.2537 23.6200
770 CA ALA 103 0.4473 21.4190 22.6700
775 CA GLU 104 0.3060 17.3608 22.2500
784 CA LEU 105 0.1736 13.5568 20.6800
792 CA ARG 106 0.3615 18.9545 21.2200
803 CA HIS 107 0.5191 23.4792 25.2400
813 CA VAL 108 0.4046 20.1923 26.1800
820 CA MET 109 0.4474 21.4217 24.5000
828 CA THR 110 0.8185 32.0786 25.6300
835 CA ASN 111 0.9824 36.7844 30.5300
843 CA LEU 112 0.9327 35.3575 28.2300
851 CA GLY 113 1.3776 48.1357 22.5500
855 CA GLU 114 1.1077 40.3834 22.0500
864 CA LYS 115 1.1354 41.1797 21.1200
873 CA LEU 116 0.8751 33.7043 18.5700
881 CA THR 117 1.0020 37.3478 15.1800
888 CA ASP 118 0.7792 30.9498 19.2500
896 CA GLU 119 0.9797 36.7071 18.4000
905 CA GLU 120 0.8338 32.5183 17.2600
914 CA VAL 121 0.4598 21.7763 20.3100
921 CA ASP 122 0.6188 26.3417 24.2100
929 CA GLU 123 0.7920 31.3161 23.9500
938 CA MET 124 0.4786 22.3158 24.6800
946 CA ILE 125 0.4282 20.8694 26.1800
954 CA ARG 126 0.8210 32.1487 28.8300
965 CA GLU 127 0.8710 33.5852 33.6700
974 CA ALA 128 0.6335 26.7654 31.6100
979 CA ASN 129 0.8144 31.9606 31.5000
987 CA ILE 130 1.3029 45.9896 35.5200
995 CA ASP 131 1.6295 55.3678 38.6600
1003 CA GLY 132 1.5114 51.9781 36.2500
1007 CA ASP 133 1.2898 45.6135 34.7300
1015 CA GLY 134 0.8621 33.3316 32.8300
1019 CA GLN 135 0.5813 25.2656 31.2400
1028 CA VAL 136 0.4038 20.1689 31.0000
1035 CA ASN 137 0.5747 25.0770 30.9100
1043 CA TYR 138 0.5305 23.8073 32.0300
1055 CA GLU 139 0.7972 31.4677 32.3000
1064 CA GLU 140 0.6204 26.3879 29.9800
1073 CA PHE 141 0.3135 17.5741 30.4000
1084 CA VAL 142 0.4497 21.4869 37.1100
1091 CA GLN 143 0.7067 28.8666 46.7900
1100 CA MET 144 0.4769 22.2680 53.0500
1108 CA MET 145 0.3808 19.5094 58.0000
1116 CA THR 146 0.7001 28.6770 61.3700
1123 CA ALA 147 1.0599 39.0106 62.4100

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.