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

* 3CM3_S112C_apo *

B-factor analysis for ID 2405281028003778489

Overall B-factor prediction

Correlation= 0.554 for 171 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 7 0.2453 60.6729 43.5900
8 CA LEU 8 0.0956 32.4769 41.9800
16 CA TYR 9 0.0900 31.4353 36.4400
28 CA LYS 10 0.0956 32.4910 27.7900
37 CA TYR 11 0.0489 23.6802 20.6200
49 CA LEU 12 0.0296 20.0530 21.0100
57 CA LEU 13 0.0634 26.4243 19.4300
65 CA LEU 14 0.0670 27.1019 18.8200
73 CA ARG 15 0.0324 20.5745 19.2300
84 CA SER 16 0.0553 24.8956 18.1400
90 CA THR 17 0.1351 39.9192 19.6300
97 CA GLY 18 0.1426 41.3352 29.0500
101 CA ASP 19 0.0765 28.8911 31.8600
109 CA MET 20 0.0440 22.7714 36.0300
117 CA HIS 21 0.0492 23.7480 33.8200
127 CA LYS 22 0.1209 37.2409 35.9500
136 CA ALA 23 0.0363 21.3210 29.5900
141 CA LYS 24 0.0429 22.5538 29.1700
150 CA SER 25 0.0408 22.1595 27.3600
156 CA PRO 26 0.0179 17.8547 24.5000
163 CA THR 27 0.0363 21.3203 31.1100
170 CA ILE 28 0.0372 21.4857 29.3400
178 CA MET 29 0.0135 17.0232 24.7300
186 CA THR 30 0.0144 17.1964 22.3200
193 CA ARG 31 0.0219 18.5997 23.2600
204 CA VAL 32 0.0166 17.6021 25.0300
211 CA THR 33 0.0215 18.5257 24.7900
218 CA ASN 34 0.0379 21.6093 25.2100
226 CA ASN 35 0.0151 17.3331 23.4800
234 CA VAL 36 0.0094 16.2529 17.8700
241 CA TYR 37 0.0097 16.3100 17.6100
253 CA LEU 38 0.0076 15.9038 15.8300
261 CA GLY 39 0.0079 15.9762 16.6400
265 CA ASN 40 0.0102 16.4022 16.5900
273 CA TYR 41 0.0126 16.8464 18.2600
274 CA TYR 41 0.0126 16.8507 18.2400
294 CA LYS 42 0.0202 18.2854 20.2200
303 CA ASN 43 0.0120 16.7373 18.1400
311 CA ALA 44 0.0097 16.2987 16.8900
316 CA MET 45 0.0182 17.9114 20.4700
324 CA ASP 46 0.0321 20.5194 22.8300
332 CA ALA 47 0.0163 17.5558 22.1500
337 CA PRO 48 0.0286 19.8666 25.8800
344 CA SER 49 0.0800 29.5393 28.6200
345 CA SER 49 0.0793 29.4223 28.7900
353 CA SER 50 0.0454 23.0255 30.9000
359 CA GLU 51 0.1204 37.1559 35.1500
368 CA VAL 52 0.0328 20.6478 30.2600
375 CA LYS 53 0.0359 21.2346 33.6300
384 CA PHE 54 0.0127 16.8704 21.1900
395 CA LYS 55 0.0170 17.6866 19.9900
404 CA TYR 56 0.0096 16.2961 16.2400
416 CA VAL 57 0.0065 15.7055 14.8900
423 CA LEU 58 0.0061 15.6364 13.3400
431 CA ASN 59 0.0081 16.0055 13.0600
439 CA LEU 60 0.0077 15.9274 14.2200
447 CA THR 61 0.0115 16.6477 16.2500
454 CA MET 62 0.0234 18.8898 18.3300
463 CA ASP 63 0.0314 20.4012 20.1800
464 CA ASP 63 0.0316 20.4340 20.1700
478 CA LYS 64 0.0306 20.2340 20.3300
487 CA TYR 65 0.0237 18.9364 17.7800
499 CA THR 66 0.0618 26.1122 19.7300
506 CA LEU 67 0.0320 20.5095 17.2400
514 CA PRO 68 0.1729 47.0435 19.5000
521 CA ASN 69 0.1533 43.3545 19.5300
529 CA SER 70 0.0571 25.2420 19.8900
535 CA ASN 71 0.0699 27.6486 20.7100
543 CA ILE 72 0.0212 18.4672 18.4500
551 CA ASN 73 0.0212 18.4820 18.8700
559 CA ILE 74 0.0134 16.9980 16.2200
567 CA ILE 75 0.0127 16.8809 16.3200
575 CA HIS 76 0.0161 17.5193 15.7000
585 CA ILE 77 0.0130 16.9248 16.7200
593 CA PRO 78 0.0168 17.6411 17.2900
600 CA LEU 79 0.0127 16.8790 16.1700
608 CA VAL 80 0.0230 18.8170 16.2700
615 CA ASP 81 0.0163 17.5555 15.8500
623 CA ASP 82 0.0279 19.7322 22.2000
631 CA THR 83 0.0336 20.8166 32.6400
638 CA THR 84 0.0470 23.3273 38.2900
645 CA THR 85 0.0200 18.2457 30.9600
653 CA ASP 86 0.0210 18.4424 24.0100
654 CA ASP 86 0.0211 18.4555 24.4200
668 CA ILE 87 0.0113 16.6084 17.7400
676 CA SER 88 0.0146 17.2387 18.1200
682 CA LYS 89 0.0239 18.9798 19.0300
691 CA TYR 90 0.0159 17.4837 15.2000
703 CA PHE 91 0.0113 16.6116 15.0900
714 CA ASP 92 0.0233 18.8591 18.8600
722 CA ASP 93 0.0284 19.8312 18.5500
730 CA VAL 94 0.0112 16.5855 15.1500
737 CA THR 95 0.0112 16.5968 16.8700
744 CA ALA 96 0.0193 18.1193 19.0300
749 CA PHE 97 0.0143 17.1825 17.9200
760 CA LEU 98 0.0102 16.3925 16.8300
769 CA SER 99 0.0161 17.5188 21.4200
770 CA SER 99 0.0161 17.5157 20.6200
780 CA LYS 100 0.0210 18.4282 23.2700
789 CA CYS 101 0.0127 16.8815 21.7600
795 CA ASP 102 0.0175 17.7726 26.8900
803 CA GLN 103 0.0373 21.4994 32.7000
812 CA ARG 104 0.0387 21.7595 32.8600
823 CA ASN 105 0.0307 20.2530 32.5700
831 CA GLU 106 0.0188 18.0297 24.2100
840 CA PRO 107 0.0125 16.8317 20.8000
847 CA VAL 108 0.0071 15.8106 16.2400
854 CA LEU 109 0.0059 15.5899 14.1400
862 CA VAL 110 0.0046 15.3526 13.0500
869 CA HIS 111 0.0061 15.6340 12.6100
879 CA CYS 112 0.0070 15.8051 0.0000
885 CA ALA 113 0.0111 16.5673 17.2900
890 CA ALA 114 0.0113 16.6102 16.9500
895 CA GLY 115 0.0081 16.0068 14.9000
899 CA VAL 116 0.0084 16.0704 14.1600
906 CA ASN 117 0.0078 15.9426 12.5900
914 CA ARG 118 0.0068 15.7654 11.8200
925 CA SER 119 0.0057 15.5476 11.9100
931 CA GLY 120 0.0059 15.6005 11.9900
935 CA ALA 121 0.0055 15.5114 11.0800
940 CA MET 122 0.0056 15.5298 11.4400
948 CA ILE 123 0.0058 15.5753 11.8800
956 CA LEU 124 0.0063 15.6597 12.1900
964 CA ALA 125 0.0074 15.8823 12.1700
969 CA TYR 126 0.0089 16.1594 13.8500
981 CA LEU 127 0.0095 16.2789 15.8900
989 CA MET 128 0.0100 16.3620 15.3300
997 CA SER 129 0.0147 17.2564 18.0400
1003 CA LYS 130 0.0264 19.4453 22.7600
1012 CA ASN 131 0.0367 21.3998 21.3800
1020 CA LYS 132 0.1556 43.7865 20.9900
1029 CA GLU 133 0.1514 42.9823 21.5500
1038 CA SER 134 0.0626 26.2644 21.3900
1044 CA LEU 135 0.0610 25.9604 20.5300
1052 CA PRO 136 0.0235 18.9012 17.6500
1059 CA MET 137 0.0289 19.9305 19.8300
1067 CA LEU 138 0.0271 19.5757 19.8600
1075 CA TYR 139 0.0166 17.6038 17.1600
1087 CA PHE 140 0.0108 16.5162 13.7100
1098 CA LEU 141 0.0128 16.8949 14.7100
1106 CA TYR 142 0.0131 16.9385 18.6100
1118 CA VAL 143 0.0111 16.5647 17.1400
1125 CA TYR 144 0.0092 16.2117 13.7400
1137 CA HIS 145 0.0108 16.5239 16.2100
1147 CA SER 146 0.0145 17.2180 18.5800
1153 CA MET 147 0.0108 16.5132 16.0800
1161 CA ARG 148 0.0115 16.6411 17.5300
1172 CA ASP 149 0.0156 17.4191 23.3700
1180 CA LEU 150 0.0205 18.3492 24.0500
1188 CA ARG 151 0.0133 16.9762 20.9800
1199 CA GLY 152 0.0181 17.8884 19.5700
1203 CA ALA 153 0.0129 16.9148 17.2200
1208 CA PHE 154 0.0083 16.0512 13.8700
1219 CA VAL 155 0.0079 15.9670 13.6700
1226 CA GLU 156 0.0122 16.7876 15.4200
1235 CA ASN 157 0.0143 17.1746 15.3800
1243 CA PRO 158 0.0221 18.6438 17.2600
1250 CA SER 159 0.0174 17.7534 15.4900
1251 CA SER 159 0.0174 17.7657 15.3000
1259 CA PHE 160 0.0095 16.2746 13.1100
1270 CA LYS 161 0.0118 16.7069 13.4300
1279 CA ARG 162 0.0199 18.2301 12.2500
1290 CA GLN 163 0.0127 16.8664 12.3100
1299 CA ILE 164 0.0094 16.2543 12.7600
1307 CA ILE 165 0.0172 17.7252 13.2000
1315 CA GLU 166 0.0246 19.1086 15.7200
1324 CA LYS 167 0.0190 18.0541 16.8700
1333 CA TYR 168 0.0150 17.3016 16.2600
1345 CA VAL 169 0.0269 19.5433 19.4200
1353 CA ILE 170 0.0687 27.4246 32.6600
1354 CA ILE 170 0.0691 27.4956 32.6600

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.