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

* 01-JUL-21 *

B-factor analysis for ID 22031815292778224

Overall B-factor prediction

Correlation= -0.598 for 289 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 GLY 58 0.0394 87.7668 94.7300
6 CA LEU 59 0.0419 88.3553 95.1000
14 CA PHE 60 0.0616 93.0196 96.7300
25 CA LEU 61 0.0353 86.7969 96.7600
33 CA SER 62 0.0227 83.8118 96.6600
39 CA CYS 63 0.0354 86.8091 97.0500
45 CA LEU 64 0.0376 87.3291 97.1600
53 CA TYR 65 0.0210 83.3887 97.7200
65 CA THR 66 0.0227 83.8039 96.8400
72 CA ILE 67 0.0385 87.5429 97.0700
80 CA PHE 68 0.0357 86.8733 96.3000
91 CA LEU 69 0.0184 82.7855 96.6000
99 CA PHE 70 0.0153 82.0489 97.0000
110 CA PRO 71 0.0198 83.1041 96.7000
117 CA ILE 72 0.0157 82.1335 96.1200
125 CA GLY 73 0.0113 81.1005 96.4800
129 CA PHE 74 0.0142 81.7847 96.7200
140 CA VAL 75 0.0193 82.9900 96.2300
147 CA GLY 76 0.0117 81.1890 95.3100
151 CA ASN 77 0.0095 80.6749 96.7400
159 CA ILE 78 0.0148 81.9198 96.4600
167 CA LEU 79 0.0136 81.6411 94.7000
175 CA ILE 80 0.0094 80.6526 94.0500
183 CA LEU 81 0.0116 81.1708 94.9500
191 CA VAL 82 0.0200 83.1694 94.4800
198 CA VAL 83 0.0156 82.1122 92.4000
205 CA ASN 84 0.0136 81.6497 92.4600
213 CA ILE 85 0.0250 84.3411 92.8900
221 CA SER 86 0.0301 85.5465 92.2400
227 CA PHE 87 0.0281 85.0929 90.8800
238 CA ARG 88 0.0425 88.4833 88.7600
249 CA GLU 89 0.0703 95.0813 86.8000
258 CA LYS 90 0.0361 86.9844 85.7600
267 CA MET 91 0.0237 84.0361 86.3600
275 CA THR 92 0.0157 82.1504 86.5100
282 CA ILE 93 0.0108 80.9919 88.0200
290 CA PRO 94 0.0089 80.5244 87.2900
297 CA ASP 95 0.0087 80.4899 89.6500
305 CA LEU 96 0.0096 80.6936 93.1700
313 CA TYR 97 0.0083 80.4016 93.7100
325 CA PHE 98 0.0072 80.1316 92.5700
336 CA ILE 99 0.0081 80.3365 94.7700
344 CA ASN 100 0.0089 80.5427 96.8600
352 CA LEU 101 0.0082 80.3625 96.2500
360 CA ALA 102 0.0090 80.5501 96.7900
365 CA VAL 103 0.0102 80.8511 97.2100
372 CA ALA 104 0.0087 80.4845 96.8900
377 CA ASP 105 0.0080 80.3281 97.4100
385 CA LEU 106 0.0094 80.6624 96.9500
393 CA ILE 107 0.0098 80.7423 94.8800
401 CA LEU 108 0.0083 80.4017 96.2200
409 CA VAL 109 0.0088 80.5159 96.7800
416 CA ALA 110 0.0123 81.3460 95.0800
421 CA ASP 111 0.0108 80.9828 92.4300
429 CA SER 112 0.0109 80.9995 93.8200
435 CA LEU 113 0.0141 81.7763 92.1800
443 CA ILE 114 0.0162 82.2536 89.5300
451 CA GLU 115 0.0117 81.2054 89.4100
460 CA VAL 116 0.0139 81.7184 92.4900
467 CA PHE 117 0.0202 83.2212 91.5700
478 CA ASN 118 0.0191 82.9470 86.5900
486 CA LEU 119 0.0237 84.0358 82.3500
494 CA HIS 120 0.0463 89.3874 74.6400
504 CA GLU 121 0.0232 83.9133 71.2100
513 CA ARG 122 0.0390 87.6614 63.1000
524 CA TYR 123 0.0248 84.2968 69.3600
536 CA TYR 124 0.0200 83.1732 70.6600
548 CA ASP 125 0.0341 86.5145 67.4900
556 CA ILE 126 0.0347 86.6412 80.5200
564 CA ALA 127 0.0283 85.1403 77.9600
569 CA VAL 128 0.0379 87.4103 82.6800
576 CA LEU 129 0.0257 84.5132 83.8900
584 CA CYS 130 0.0153 82.0394 82.2500
590 CA THR 131 0.0161 82.2395 83.3200
597 CA PHE 132 0.0171 82.4861 85.0200
608 CA MET 133 0.0113 81.1014 87.3100
616 CA SER 134 0.0093 80.6195 87.2600
622 CA LEU 135 0.0113 81.1042 90.0800
630 CA PHE 136 0.0095 80.6654 92.1000
641 CA LEU 137 0.0074 80.1854 92.3100
649 CA GLN 138 0.0081 80.3342 92.6800
658 CA VAL 139 0.0090 80.5662 94.5700
665 CA ASN 140 0.0072 80.1326 96.1800
673 CA MET 141 0.0070 80.0814 95.6500
681 CA TYR 142 0.0083 80.3932 96.7300
693 CA SER 143 0.0084 80.4240 97.2300
699 CA SER 144 0.0075 80.2069 97.2000
705 CA VAL 145 0.0080 80.3143 97.3500
712 CA PHE 146 0.0086 80.4684 97.7600
723 CA PHE 147 0.0082 80.3660 97.1900
734 CA LEU 148 0.0082 80.3656 96.2800
742 CA THR 149 0.0094 80.6416 96.9800
749 CA TRP 150 0.0092 80.6063 95.8100
763 CA MET 151 0.0074 80.1801 93.5100
771 CA SER 152 0.0091 80.5802 93.9800
777 CA PHE 153 0.0117 81.1889 93.0300
788 CA ASP 154 0.0101 80.8246 90.6900
796 CA ARG 155 0.0095 80.6699 89.4600
807 CA TYR 156 0.0145 81.8662 89.2700
819 CA ILE 157 0.0186 82.8305 87.3600
827 CA ALA 158 0.0190 82.9250 84.3100
832 CA LEU 159 0.0176 82.5906 82.8800
840 CA ALA 160 0.0339 86.4544 79.8600
845 CA ARG 161 0.0369 87.1611 70.5900
856 CA ALA 162 0.0566 91.8310 66.6900
861 CA MET 163 0.0786 97.0322 58.6900
869 CA ARG 164 0.1040 103.0644 60.0600
880 CA CYS 165 0.1371 110.9087 52.7700
886 CA SER 166 0.0659 94.0461 58.8800
892 CA LEU 167 0.0963 101.2407 62.4100
900 CA PHE 168 0.0536 91.1280 65.8800
911 CA ARG 169 0.0296 85.4260 78.3000
922 CA THR 170 0.0294 85.3880 85.0500
929 CA LYS 171 0.0254 84.4530 86.1900
938 CA HIS 172 0.0420 88.3753 89.5700
948 CA HIS 173 0.0292 85.3518 90.3200
958 CA ALA 174 0.0171 82.4726 92.3700
963 CA ARG 175 0.0261 84.6148 94.2900
974 CA LEU 176 0.0357 86.8817 95.1900
982 CA SER 177 0.0207 83.3298 95.3000
988 CA CYS 178 0.0152 82.0369 97.0200
994 CA GLY 179 0.0242 84.1496 97.2700
998 CA LEU 180 0.0279 85.0251 97.3600
1006 CA ILE 181 0.0161 82.2325 97.7600
1014 CA TRP 182 0.0161 82.2280 97.7400
1028 CA MET 183 0.0273 84.8817 96.9500
1036 CA ALA 184 0.0222 83.6932 96.9100
1041 CA SER 185 0.0138 81.6861 96.5700
1047 CA VAL 186 0.0217 83.5728 94.2200
1054 CA SER 187 0.0305 85.6550 93.9500
1060 CA ALA 188 0.0164 82.3122 93.6800
1065 CA THR 189 0.0134 81.6108 92.0500
1072 CA LEU 190 0.0225 83.7457 89.4800
1080 CA VAL 191 0.0203 83.2342 87.3000
1087 CA PRO 192 0.0129 81.4769 84.1600
1094 CA PHE 193 0.0148 81.9271 85.0200
1105 CA THR 194 0.0247 84.2852 84.3100
1112 CA ALA 195 0.0199 83.1490 80.6800
1117 CA VAL 196 0.0149 81.9458 76.3700
1124 CA HIS 197 0.0260 84.5906 76.8900
1134 CA LEU 198 0.0396 87.7982 76.8000
1142 CA GLN 199 0.0269 84.8079 72.1500
1151 CA HIS 200 0.0297 85.4699 72.7900
1161 CA THR 201 0.0631 93.3826 68.6900
1168 CA ASP 202 0.1041 103.0809 63.1800
1176 CA GLU 203 0.0603 92.7194 61.9700
1185 CA ALA 204 0.0256 84.4820 60.7000
1190 CA CYS 205 0.0207 83.3349 63.8400
1196 CA PHE 206 0.0110 81.0239 68.6100
1207 CA CYS 207 0.0106 80.9426 71.2900
1213 CA PHE 208 0.0093 80.6222 73.7800
1224 CA ALA 209 0.0107 80.9526 67.9600
1229 CA ASP 210 0.0135 81.6217 74.4500
1237 CA VAL 211 0.0166 82.3619 80.7700
1244 CA ARG 212 0.0236 84.0223 83.9900
1255 CA GLU 213 0.0302 85.5735 86.9600
1264 CA VAL 214 0.0160 82.2081 87.4400
1271 CA GLN 215 0.0125 81.3769 88.3600
1280 CA TRP 216 0.0169 82.4309 90.0900
1294 CA LEU 217 0.0170 82.4487 92.0300
1302 CA GLU 218 0.0113 81.1065 92.1500
1311 CA VAL 219 0.0125 81.3966 94.0000
1318 CA THR 220 0.0162 82.2543 95.0300
1325 CA LEU 221 0.0144 81.8457 95.3100
1333 CA GLY 222 0.0110 81.0239 94.1800
1337 CA PHE 223 0.0116 81.1646 95.4400
1348 CA ILE 224 0.0214 83.4851 96.3700
1356 CA VAL 225 0.0246 84.2495 96.9000
1363 CA PRO 226 0.0147 81.8964 97.0500
1370 CA PHE 227 0.0178 82.6368 97.1300
1381 CA ALA 228 0.0268 84.7816 97.6000
1386 CA ILE 229 0.0227 83.7986 97.3200
1394 CA ILE 230 0.0148 81.9238 96.8600
1402 CA GLY 231 0.0253 84.4089 96.5000
1406 CA LEU 232 0.0345 86.5988 96.6800
1414 CA CYS 233 0.0185 82.8030 95.1700
1420 CA TYR 234 0.0177 82.6067 93.3100
1432 CA SER 235 0.0324 86.0907 94.0100
1438 CA LEU 236 0.0271 84.8500 92.9800
1446 CA ILE 237 0.0191 82.9601 90.7100
1454 CA VAL 238 0.0416 88.2748 89.3900
1461 CA ARG 239 0.0498 90.2284 89.6100
1472 CA VAL 240 0.0320 86.0140 85.8700
1479 CA LEU 241 0.0368 87.1351 84.3700
1487 CA VAL 242 0.0783 96.9706 84.2400
1494 CA ARG 243 0.0822 97.8943 83.1800
1505 CA ALA 244 0.0725 95.5987 78.3400
1510 CA HIS 245 0.1029 102.8081 70.6100
1520 CA ARG 246 0.1997 125.7372 60.2900
1531 CA HIS 247 0.2366 134.4712 54.0400
1541 CA ARG 248 0.2032 126.5594 58.8900
1552 CA GLY 249 0.1898 123.3865 59.2300
1556 CA LEU 250 0.0638 93.5378 61.6500
1564 CA ARG 251 0.0677 94.4638 66.4800
1575 CA PRO 252 0.0644 93.6760 68.2200
1582 CA ARG 253 0.0541 91.2489 67.5600
1593 CA ARG 254 0.0282 85.1001 72.9900
1604 CA GLN 255 0.0296 85.4302 77.8200
1613 CA LYS 256 0.0220 83.6451 78.9400
1622 CA ALA 257 0.0164 82.3088 81.5300
1627 CA LEU 258 0.0123 81.3312 86.2200
1635 CA ARG 259 0.0145 81.8713 87.0400
1646 CA MET 260 0.0091 80.5801 88.9800
1654 CA ILE 261 0.0086 80.4726 89.6000
1662 CA LEU 262 0.0119 81.2479 92.5200
1670 CA ALA 263 0.0119 81.2350 94.0900
1675 CA VAL 264 0.0088 80.5091 93.9300
1682 CA VAL 265 0.0097 80.7316 95.4600
1689 CA LEU 266 0.0123 81.3331 96.4700
1697 CA VAL 267 0.0106 80.9389 96.7400
1704 CA PHE 268 0.0099 80.7617 96.9600
1715 CA PHE 269 0.0109 81.0173 97.1800
1726 CA VAL 270 0.0129 81.4821 97.5700
1733 CA CYS 271 0.0101 80.8284 97.4800
1739 CA TRP 272 0.0088 80.5117 97.0100
1753 CA LEU 273 0.0123 81.3352 96.9000
1761 CA PRO 274 0.0133 81.5871 96.4200
1768 CA GLU 275 0.0106 80.9457 93.3700
1777 CA ASN 276 0.0119 81.2361 94.7700
1785 CA VAL 277 0.0171 82.4682 94.9800
1792 CA PHE 278 0.0143 81.8142 92.7600
1803 CA ILE 279 0.0123 81.3344 90.1900
1811 CA SER 280 0.0204 83.2687 91.6400
1817 CA VAL 281 0.0247 84.2737 91.1100
1824 CA HIS 282 0.0181 82.7049 86.2900
1834 CA LEU 283 0.0198 83.1242 85.2000
1842 CA LEU 284 0.0429 88.5759 86.8500
1850 CA GLN 285 0.0474 89.6446 83.1700
1859 CA ARG 286 0.0441 88.8666 71.4200
1870 CA THR 287 0.0974 101.4969 58.5200
1877 CA GLN 288 0.1632 117.0840 56.5100
1886 CA PRO 289 0.2611 140.2586 57.0400
1893 CA GLY 290 0.3527 161.9708 58.6900
1897 CA ALA 291 0.1556 115.2729 56.4700
1902 CA ALA 292 0.0972 101.4501 58.2000
1907 CA PRO 293 0.0560 91.6945 58.2300
1914 CA CYS 294 0.0467 89.4981 57.5500
1920 CA LYS 295 0.0574 92.0319 53.2100
1929 CA GLN 296 0.0277 84.9903 56.1100
1938 CA SER 297 0.0170 82.4528 66.2200
1944 CA PHE 298 0.0161 82.2288 75.6200
1955 CA ARG 299 0.0135 81.6248 77.8100
1966 CA HIS 300 0.0212 83.4381 75.2600
1976 CA ALA 301 0.0293 85.3678 79.8900
1981 CA HIS 302 0.0267 84.7480 87.0200
1991 CA PRO 303 0.0248 84.2984 86.9700
1998 CA LEU 304 0.0342 86.5313 90.8000
2006 CA THR 305 0.0245 84.2250 92.2500
2013 CA GLY 306 0.0163 82.2885 90.9700
2017 CA HIS 307 0.0138 81.6978 92.3900
2027 CA ILE 308 0.0171 82.4758 95.0000
2035 CA VAL 309 0.0134 81.6106 94.9100
2042 CA ASN 310 0.0096 80.7007 93.4700
2050 CA LEU 311 0.0110 81.0361 96.5000
2058 CA ALA 312 0.0104 80.9007 97.2400
2063 CA ALA 313 0.0085 80.4445 96.7100
2068 CA PHE 314 0.0078 80.2723 96.8100
2079 CA SER 315 0.0092 80.6122 97.2300
2085 CA ASN 316 0.0079 80.2876 96.9700
2093 CA SER 317 0.0077 80.2498 97.0900
2099 CA CYS 318 0.0099 80.7592 96.5900
2105 CA LEU 319 0.0102 80.8323 95.9800
2113 CA ASN 320 0.0084 80.4163 91.7900
2121 CA PRO 321 0.0094 80.6414 92.2500
2128 CA LEU 322 0.0121 81.2825 91.6000
2136 CA ILE 323 0.0100 80.8046 90.8100
2144 CA TYR 324 0.0091 80.5772 84.9000
2156 CA SER 325 0.0117 81.1994 85.0300
2162 CA PHE 326 0.0166 82.3517 84.3000
2173 CA LEU 327 0.0132 81.5567 82.8500
2181 CA GLY 328 0.0142 81.7824 80.0300
2185 CA GLU 329 0.0203 83.2293 79.5700
2194 CA THR 330 0.0172 82.5098 80.7500
2201 CA PHE 331 0.0123 81.3497 83.1900
2212 CA ARG 332 0.0190 82.9199 86.7900
2223 CA ASP 333 0.0264 84.6695 86.3000
2231 CA LYS 334 0.0197 83.0936 85.9300
2240 CA LEU 335 0.0205 83.2855 88.8400
2248 CA ARG 336 0.0469 89.5267 89.6100
2259 CA LEU 337 0.0439 88.8203 90.0500
2267 CA TYR 338 0.0348 86.6702 89.2000
2279 CA ILE 339 0.0524 90.8289 89.2800
2287 CA GLU 340 0.0837 98.2583 87.9800
2296 CA GLN 341 0.0829 98.0660 85.3900
2305 CA LYS 342 0.1051 103.3084 82.5400
2314 CA THR 343 0.1524 114.5211 79.7300
2321 CA ASN 344 0.2102 128.2135 68.2100
2329 CA LEU 345 0.2471 136.9577 66.1400
2337 CA PRO 346 0.4505 185.1212 61.5800

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: October 18th, 2018.

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