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

* d2 *

B-factor analysis for ID 2401140716061035985

Overall B-factor prediction

Correlation= 0.199 for 111 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 ASN 106 0.0272 91.7912 88.8300
18 CA GLU 107 0.0080 68.2961 80.4100
33 CA PRO 108 0.0034 62.7579 66.4300
47 CA VAL 109 0.0053 65.0066 61.3200
63 CA PHE 110 0.0042 63.6785 71.4100
83 CA THR 111 0.0113 72.3733 69.7900
97 CA GLN 112 0.0113 72.3830 67.3800
114 CA ASP 113 0.0118 72.9686 58.2400
126 CA VAL 114 0.0075 67.7667 74.4000
142 CA PHE 115 0.0047 64.3178 72.1500
162 CA VAL 116 0.0074 67.6157 57.2000
178 CA GLY 117 0.0048 64.4102 64.2100
185 CA SER 118 0.0047 64.3253 55.0400
196 CA VAL 119 0.0034 62.7712 62.6800
212 CA GLU 120 0.0063 66.1990 62.5600
227 CA GLU 121 0.0054 65.2174 47.1200
243 CA LEU 122 0.0084 68.7722 70.2900
262 CA SER 123 0.0070 67.0689 77.5200
273 CA ALA 124 0.0173 79.7242 65.8700
283 CA ALA 125 0.0110 72.0414 66.5500
293 CA HIS 126 0.0088 69.3366 64.9700
310 CA THR 127 0.0066 66.5741 61.0300
324 CA LEU 128 0.0058 65.6813 55.5000
343 CA VAL 129 0.0035 62.8330 46.6500
359 CA MET 130 0.0041 63.6112 66.3300
376 CA LYS 131 0.0052 64.9039 68.9500
398 CA ILE 132 0.0036 62.9657 71.5100
417 CA ASN 133 0.0052 64.8793 75.5600
430 CA ALA 134 0.0040 63.4860 61.8600
440 CA THR 135 0.0082 68.5358 71.8200
454 CA ASP 136 0.0076 67.7910 59.7800
466 CA ALA 137 0.0229 86.4986 69.7500
476 CA ASP 138 0.0197 82.6285 59.0000
488 CA GLU 139 0.0361 102.6636 67.3000
503 CA PRO 140 0.0458 114.5026 58.5500
517 CA ASN 141 0.0562 127.1494 68.6500
531 CA THR 142 0.0261 90.4560 60.5000
545 CA LEU 143 0.0134 74.9182 61.0100
564 CA ASN 144 0.0122 73.4291 72.0300
578 CA SER 145 0.0087 69.1953 72.0900
589 CA LYS 146 0.0078 68.1258 58.7200
611 CA ILE 147 0.0030 62.2091 55.2600
630 CA SER 148 0.0034 62.7148 60.3500
641 CA TYR 149 0.0032 62.4149 53.5200
662 CA ARG 150 0.0044 63.9505 66.3300
686 CA ILE 151 0.0041 63.5526 72.0000
705 CA VAL 152 0.0071 67.2211 67.8500
721 CA SER 153 0.0101 70.8994 84.9000
732 CA LEU 154 0.0054 65.1245 96.8300
751 CA GLU 155 0.0080 68.3598 89.9600
766 CA PRO 156 0.0092 69.7781 92.9000
780 CA ALA 157 0.0141 75.8006 84.4500
790 CA TYR 158 0.0194 82.2261 93.2700
811 CA PRO 159 0.0137 75.2506 98.0900
825 CA PRO 160 0.0105 71.4376 85.4600
839 CA VAL 161 0.0042 63.6435 80.8200
855 CA PHE 162 0.0028 61.9606 60.0400
875 CA TYR 163 0.0051 64.8446 69.0900
896 CA LEU 164 0.0037 63.1142 61.7300
915 CA ASN 165 0.0058 65.5966 59.5700
929 CA LYS 166 0.0054 65.1792 67.5800
951 CA ASP 167 0.0082 68.5257 60.4200
963 CA THR 168 0.0078 68.1162 63.2500
977 CA GLY 169 0.0042 63.6880 67.6500
984 CA GLU 170 0.0045 64.0837 50.2000
999 CA ILE 171 0.0031 62.3366 63.3300
1018 CA TYR 172 0.0038 63.1478 60.1600
1039 CA THR 173 0.0036 62.9400 69.6300
1053 CA THR 174 0.0065 66.4973 63.2800
1067 CA SER 175 0.0192 81.9737 81.3800
1078 CA VAL 176 0.0112 72.1993 70.9800
1094 CA THR 177 0.0089 69.3953 77.6400
1108 CA LEU 178 0.0039 63.3852 57.2700
1127 CA ASP 179 0.0080 68.3458 63.9900
1139 CA ARG 180 0.0071 67.1837 60.4400
1163 CA GLU 181 0.0203 83.2825 61.4300
1178 CA GLU 182 0.0193 82.1784 63.2600
1193 CA HIS 183 0.0078 68.1362 72.1400
1210 CA SER 184 0.0069 66.9605 68.0600
1221 CA SER 185 0.0047 64.2768 79.1900
1232 CA TYR 186 0.0029 62.1563 75.6100
1253 CA THR 187 0.0046 64.1630 79.8900
1267 CA LEU 188 0.0032 62.5324 77.4500
1286 CA THR 189 0.0043 63.8277 74.4500
1300 CA VAL 190 0.0031 62.4126 69.7300
1316 CA GLU 191 0.0033 62.6265 72.5600
1331 CA ALA 192 0.0025 61.5991 73.2400
1341 CA ARG 193 0.0031 62.3242 64.8000
1365 CA ASP 194 0.0038 63.1994 68.3000
1378 CA GLY 195 0.0087 69.2290 60.6300
1385 CA ASN 196 0.0140 75.6600 95.1900
1399 CA GLY 197 0.0072 67.3613 101.0800
1406 CA GLU 198 0.0148 76.5951 97.2000
1421 CA VAL 199 0.0144 76.1459 94.7200
1437 CA THR 200 0.0253 89.4604 98.6300
1451 CA ASP 201 0.0538 124.2670 83.4600
1463 CA LYS 202 0.0207 83.8469 86.0400
1485 CA PRO 203 0.0258 90.0811 82.8300
1499 CA VAL 204 0.0061 65.9582 85.0400
1515 CA LYS 205 0.0059 65.7855 66.9300
1537 CA GLN 206 0.0048 64.4303 65.0300
1554 CA ALA 207 0.0041 63.6147 83.2900
1564 CA GLN 208 0.0046 64.2022 82.3200
1581 CA VAL 209 0.0032 62.4266 68.9800
1597 CA GLN 210 0.0041 63.6107 59.0900
1614 CA ILE 211 0.0026 61.7255 78.7900
1633 CA ARG 212 0.0048 64.4270 75.6000
1657 CA ILE 213 0.0032 62.4775 59.9400
1676 CA LEU 214 0.0074 67.6463 65.0000
1695 CA ASP 215 0.0131 74.4976 64.4200
1707 CA VAL 216 0.0260 90.3282 75.3000

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.