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

* 01-JUN-22 *

B-factor analysis for ID 240221025813253280

Overall B-factor prediction

Correlation= -0.332 for 328 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 MET 1 66.9749 322.6458 36.0200
10 CA ALA 2 42.0216 233.0505 34.2600
15 CA ASN 3 25.4325 173.4869 35.5100
23 CA SER 4 14.8774 135.5886 37.1100
29 CA ALA 5 7.8433 110.3327 34.0500
34 CA SER 6 4.1456 97.0560 30.7600
40 CA PRO 7 1.9340 89.1150 34.0300
47 CA GLU 8 1.0199 85.8330 29.8400
56 CA GLN 9 0.9173 85.4649 33.3400
65 CA ASN 10 0.5552 84.1646 33.6700
73 CA GLN 11 0.3454 83.4112 37.1800
82 CA ASN 12 0.3284 83.3503 44.5400
90 CA HIS 13 0.2622 83.1125 44.6000
100 CA CYS 14 0.1989 82.8852 53.0200
106 CA SER 15 0.3160 83.3058 41.6300
112 CA ALA 16 0.2704 83.1421 43.2500
117 CA ILE 17 0.2790 83.1730 50.4100
125 CA ASN 18 0.1790 82.8138 50.7000
133 CA ASN 19 0.0996 82.5286 58.7700
141 CA SER 20 0.1204 82.6033 55.7300
147 CA ILE 21 0.1271 82.6274 58.8300
155 CA PRO 22 0.1734 82.7938 56.5200
162 CA LEU 23 0.1886 82.8482 50.7200
170 CA MET 24 0.3157 83.3046 52.2700
178 CA GLN 25 0.3548 83.4449 48.2700
187 CA GLY 26 0.3274 83.3466 56.4700
191 CA ASN 27 0.2655 83.1244 65.9300
199 CA LEU 28 0.1634 82.7579 69.0400
207 CA PRO 29 0.1425 82.6829 74.8900
214 CA THR 30 0.1421 82.6815 82.2000
221 CA LEU 31 0.0982 82.5238 85.8000
229 CA THR 32 0.1189 82.5981 88.5600
236 CA LEU 33 0.1355 82.6576 90.9500
244 CA SER 34 0.1059 82.5513 89.9100
250 CA GLY 35 0.0764 82.4454 91.1800
254 CA LYS 36 0.0876 82.4856 94.0900
263 CA ILE 37 0.0852 82.4772 94.9700
271 CA ARG 38 0.0597 82.3855 94.8900
282 CA VAL 39 0.0530 82.3613 96.2400
289 CA THR 40 0.0674 82.4132 96.8400
296 CA VAL 41 0.0583 82.3805 96.9100
303 CA THR 42 0.0395 82.3130 97.4700
310 CA PHE 43 0.0455 82.3343 98.0800
321 CA PHE 44 0.0581 82.3799 97.9900
332 CA LEU 45 0.0380 82.3076 97.8900
340 CA PHE 46 0.0319 82.2856 98.3900
351 CA LEU 47 0.0479 82.3432 98.3200
359 CA LEU 48 0.0452 82.3334 98.0700
367 CA SER 49 0.0283 82.2729 98.0800
373 CA ALA 50 0.0334 82.2912 98.1700
378 CA THR 51 0.0487 82.3459 97.8500
385 CA PHE 52 0.0391 82.3115 97.1700
396 CA ASN 53 0.0290 82.2752 97.2800
404 CA ALA 54 0.0468 82.3391 96.9800
409 CA SER 55 0.0607 82.3890 95.2900
415 CA PHE 56 0.0440 82.3292 94.3000
426 CA LEU 57 0.0477 82.3423 93.7400
434 CA LEU 58 0.0765 82.4459 93.8700
442 CA LYS 59 0.0730 82.4333 91.4600
451 CA LEU 60 0.0607 82.3890 90.2000
459 CA GLN 61 0.0918 82.5009 90.6100
468 CA LYS 62 0.1197 82.6010 90.8900
477 CA TRP 63 0.1029 82.5405 86.5100
491 CA THR 64 0.1144 82.5820 85.1400
498 CA GLN 65 0.1909 82.8565 85.9600
507 CA LYS 66 0.2158 82.9460 83.4600
516 CA LYS 67 0.2354 83.0164 76.4900
525 CA GLU 68 0.4060 83.6289 74.3700
534 CA LYS 69 0.6383 84.4631 65.9300
543 CA GLY 70 0.6977 84.6762 61.7600
547 CA LYS 71 0.3660 83.4852 65.5100
556 CA LYS 72 0.2951 83.2307 60.0700
565 CA LEU 73 0.0964 82.5173 66.9900
573 CA SER 74 0.0770 82.4477 80.1600
579 CA ARG 75 0.0464 82.3379 83.2400
590 CA MET 76 0.0333 82.2906 86.5900
598 CA LYS 77 0.0399 82.3144 88.8200
607 CA LEU 78 0.0401 82.3153 89.8800
615 CA LEU 79 0.0254 82.2623 92.5000
623 CA LEU 80 0.0218 82.2496 93.2100
631 CA LYS 81 0.0286 82.2740 94.0000
640 CA HIS 82 0.0240 82.2573 96.0300
650 CA LEU 83 0.0157 82.2275 96.6800
658 CA THR 84 0.0186 82.2378 96.9800
665 CA LEU 85 0.0213 82.2477 97.4100
673 CA ALA 86 0.0152 82.2258 98.2300
678 CA ASN 87 0.0134 82.2194 98.0900
686 CA LEU 88 0.0189 82.2390 98.0200
694 CA LEU 89 0.0157 82.2275 97.9500
702 CA GLU 90 0.0125 82.2160 98.1200
711 CA THR 91 0.0166 82.2308 98.2400
718 CA LEU 92 0.0211 82.2469 98.1900
726 CA ILE 93 0.0170 82.2321 98.0200
734 CA VAL 94 0.0163 82.2298 97.9500
741 CA MET 95 0.0212 82.2474 97.6300
749 CA PRO 96 0.0264 82.2659 97.3300
756 CA LEU 97 0.0228 82.2529 96.8000
764 CA ASP 98 0.0276 82.2701 95.0000
772 CA GLY 99 0.0358 82.2996 95.3900
776 CA MET 100 0.0377 82.3064 95.3700
784 CA TRP 101 0.0361 82.3008 94.0100
798 CA ASN 102 0.0461 82.3367 91.9700
806 CA ILE 103 0.0546 82.3671 93.8000
814 CA THR 104 0.0545 82.3667 92.3400
821 CA VAL 105 0.0621 82.3940 89.7300
828 CA GLN 106 0.0517 82.3569 89.5400
837 CA TRP 107 0.0402 82.3154 92.2100
851 CA TYR 108 0.0491 82.3474 91.8600
863 CA ALA 109 0.0517 82.3569 93.6400
868 CA GLY 110 0.0541 82.3653 93.6300
872 CA GLU 111 0.0516 82.3563 94.4700
881 CA LEU 112 0.0578 82.3786 96.7400
889 CA LEU 113 0.0449 82.3323 96.6700
897 CA CYS 114 0.0346 82.2953 97.1400
903 CA LYS 115 0.0374 82.3056 97.8200
912 CA VAL 116 0.0370 82.3040 98.1900
919 CA LEU 117 0.0259 82.2643 97.9900
927 CA SER 118 0.0260 82.2646 97.6400
933 CA TYR 119 0.0273 82.2693 98.4100
945 CA LEU 120 0.0220 82.2501 98.3900
953 CA LYS 121 0.0173 82.2334 98.2100
962 CA LEU 122 0.0216 82.2486 97.7700
970 CA PHE 123 0.0211 82.2471 98.6600
981 CA SER 124 0.0151 82.2253 98.3200
987 CA MET 125 0.0158 82.2280 97.0300
995 CA TYR 126 0.0205 82.2448 98.3700
1007 CA ALA 127 0.0170 82.2323 98.4800
1012 CA PRO 128 0.0132 82.2186 97.8200
1019 CA ALA 129 0.0184 82.2373 97.6100
1024 CA PHE 130 0.0228 82.2532 98.3500
1035 CA MET 131 0.0177 82.2347 97.7100
1043 CA MET 132 0.0170 82.2322 96.6700
1051 CA VAL 133 0.0266 82.2665 97.8400
1058 CA VAL 134 0.0277 82.2706 96.7600
1065 CA ILE 135 0.0219 82.2497 94.3500
1073 CA SER 136 0.0267 82.2669 95.2200
1079 CA LEU 137 0.0377 82.3064 94.7000
1087 CA ASP 138 0.0357 82.2994 91.7600
1095 CA ARG 139 0.0315 82.2843 91.0200
1106 CA SER 140 0.0421 82.3222 92.0300
1112 CA LEU 141 0.0565 82.3739 90.6100
1120 CA ALA 142 0.0511 82.3548 86.4800
1125 CA ILE 143 0.0496 82.3493 86.0800
1133 CA THR 144 0.0687 82.4177 87.5800
1140 CA ARG 145 0.1054 82.5497 83.0900
1151 CA PRO 146 0.1093 82.5634 73.3800
1158 CA LEU 147 0.2048 82.9066 64.2900
1166 CA ALA 148 0.1648 82.7630 60.9900
1171 CA LEU 149 0.1055 82.5499 57.7000
1179 CA LYS 150 0.1818 82.8239 58.5600
1188 CA SER 151 0.2066 82.9129 53.6200
1194 CA ASN 152 0.1393 82.6712 63.6400
1202 CA SER 153 0.1092 82.5631 69.5900
1208 CA LYS 154 0.1238 82.6155 78.4900
1217 CA VAL 155 0.0872 82.4843 83.7500
1224 CA GLY 156 0.0570 82.3758 84.6400
1228 CA GLN 157 0.0698 82.4218 88.1400
1237 CA SER 158 0.0787 82.4536 91.4400
1243 CA MET 159 0.0505 82.3524 94.8500
1251 CA VAL 160 0.0392 82.3118 96.8100
1258 CA GLY 161 0.0576 82.3781 97.2700
1262 CA LEU 162 0.0634 82.3988 97.6500
1270 CA ALA 163 0.0358 82.2996 98.4200
1275 CA TRP 164 0.0338 82.2923 98.5500
1289 CA ILE 165 0.0538 82.3643 98.6000
1297 CA LEU 166 0.0484 82.3450 98.3700
1305 CA SER 167 0.0312 82.2832 98.6200
1311 CA SER 168 0.0383 82.3087 98.4600
1317 CA VAL 169 0.0527 82.3604 98.3400
1324 CA PHE 170 0.0458 82.3357 98.1400
1335 CA ALA 171 0.0365 82.3021 98.1100
1340 CA GLY 172 0.0492 82.3479 97.6600
1344 CA PRO 173 0.0576 82.3779 96.5600
1351 CA GLN 174 0.0417 82.3209 95.9500
1360 CA LEU 175 0.0496 82.3493 96.5400
1368 CA TYR 176 0.0709 82.4256 94.1500
1380 CA ILE 177 0.0605 82.3884 93.9900
1388 CA PHE 178 0.0464 82.3376 94.5700
1399 CA ARG 179 0.0523 82.3590 93.9800
1410 CA MET 180 0.0488 82.3463 91.9700
1418 CA ILE 181 0.0656 82.4067 89.0600
1426 CA HIS 182 0.0773 82.4489 85.5700
1436 CA LEU 183 0.0988 82.5257 77.1500
1444 CA ALA 184 0.1371 82.6633 70.7700
1449 CA ASP 185 0.1806 82.8197 63.7600
1457 CA SER 186 0.2691 83.1372 62.7300
1463 CA SER 187 0.3483 83.4218 59.0500
1469 CA GLY 188 0.3184 83.3143 54.2900
1473 CA GLN 189 0.2627 83.1143 55.3000
1482 CA THR 190 0.1735 82.7940 54.1100
1489 CA LYS 191 0.1571 82.7353 54.3400
1498 CA VAL 192 0.1080 82.5588 71.3800
1505 CA PHE 193 0.0783 82.4522 82.4800
1516 CA SER 194 0.0595 82.3846 89.0300
1522 CA GLN 195 0.0481 82.3438 91.3600
1531 CA CYS 196 0.0399 82.3145 94.0100
1537 CA VAL 197 0.0512 82.3548 92.2400
1544 CA THR 198 0.0625 82.3956 88.3600
1551 CA HIS 199 0.0882 82.4879 78.6000
1561 CA CYS 200 0.1067 82.5541 78.1400
1567 CA SER 201 0.0907 82.4968 86.2700
1573 CA PHE 202 0.1112 82.5705 86.7200
1584 CA SER 203 0.1893 82.8508 81.2600
1590 CA GLN 204 0.1940 82.8679 85.9400
1599 CA TRP 205 0.1868 82.8418 81.7600
1613 CA TRP 206 0.1836 82.8302 84.4100
1627 CA HIS 207 0.1365 82.6614 90.4900
1637 CA GLN 208 0.1015 82.5356 87.0400
1646 CA ALA 209 0.1133 82.5778 87.7200
1651 CA PHE 210 0.1117 82.5721 91.4700
1662 CA TYR 211 0.0795 82.4567 92.4200
1674 CA ASN 212 0.0736 82.4353 90.9500
1682 CA PHE 213 0.0817 82.4643 92.0300
1693 CA PHE 214 0.0721 82.4301 94.9900
1704 CA THR 215 0.0512 82.3550 94.5800
1711 CA PHE 216 0.0520 82.3578 93.6400
1722 CA SER 217 0.0598 82.3859 95.5700
1728 CA CYS 218 0.0469 82.3394 96.9900
1734 CA LEU 219 0.0332 82.2903 95.8700
1742 CA PHE 220 0.0389 82.3108 95.4100
1753 CA ILE 221 0.0564 82.3735 95.8500
1761 CA ILE 222 0.0552 82.3693 97.5500
1769 CA PRO 223 0.0373 82.3051 97.9500
1776 CA LEU 224 0.0421 82.3222 97.2200
1784 CA PHE 225 0.0657 82.4072 98.0800
1795 CA ILE 226 0.0541 82.3653 98.3500
1803 CA MET 227 0.0376 82.3063 97.6400
1811 CA LEU 228 0.0554 82.3699 97.9700
1819 CA ILE 229 0.0691 82.4194 98.2200
1827 CA CYS 230 0.0483 82.3444 97.1000
1833 CA ASN 231 0.0457 82.3353 96.5400
1841 CA ALA 232 0.0701 82.4230 97.6000
1846 CA LYS 233 0.0675 82.4135 95.8500
1855 CA ILE 234 0.0487 82.3459 93.8600
1863 CA ILE 235 0.0670 82.4117 94.6900
1871 CA PHE 236 0.0971 82.5199 94.5400
1882 CA THR 237 0.0760 82.4442 90.7500
1889 CA LEU 238 0.0657 82.4072 89.1200
1897 CA THR 239 0.1134 82.5784 89.4800
1904 CA ARG 240 0.1339 82.6521 88.2000
1915 CA VAL 241 0.1147 82.5831 83.7000
1922 CA LEU 242 0.1412 82.6782 82.7800
1930 CA HIS 243 0.2263 82.9838 82.3600
1940 CA GLN 244 0.2421 83.0405 79.1600
1949 CA ASP 245 0.3834 83.5478 66.0800
1957 CA PRO 246 0.3876 83.5627 65.5600
1964 CA HIS 247 0.5002 83.9671 65.2700
1974 CA GLU 248 0.3785 83.5302 63.5500
1983 CA LEU 249 0.2452 83.0516 61.6500
1991 CA GLN 250 0.3673 83.4899 59.6500
2000 CA LEU 251 0.4348 83.7322 60.1400
2008 CA ASN 252 0.2898 83.2118 55.5800
2016 CA GLN 253 0.2477 83.0606 55.3100
2025 CA SER 254 0.4106 83.6453 55.4800
2031 CA LYS 255 0.4232 83.6908 54.6400
2040 CA ASN 256 0.2695 83.1387 53.6300
2048 CA ASN 257 0.1999 82.8889 63.7200
2056 CA ILE 258 0.1334 82.6502 66.9900
2064 CA PRO 259 0.0874 82.4848 74.2900
2071 CA ARG 260 0.1061 82.5522 78.2100
2082 CA ALA 261 0.0772 82.4484 79.1100
2087 CA ARG 262 0.0493 82.3480 84.6000
2098 CA LEU 263 0.0494 82.3486 87.3000
2106 CA LYS 264 0.0440 82.3292 88.5300
2115 CA THR 265 0.0312 82.2832 87.5000
2122 CA LEU 266 0.0328 82.2891 91.1100
2130 CA LYS 267 0.0348 82.2962 93.4900
2139 CA MET 268 0.0248 82.2603 92.7500
2147 CA THR 269 0.0239 82.2569 93.9200
2154 CA VAL 270 0.0324 82.2873 96.1300
2161 CA ALA 271 0.0273 82.2691 96.2600
2166 CA PHE 272 0.0207 82.2453 95.0500
2177 CA ALA 273 0.0284 82.2731 96.4500
2182 CA THR 274 0.0357 82.2992 96.6900
2189 CA SER 275 0.0272 82.2689 96.1500
2195 CA PHE 276 0.0249 82.2606 95.9900
2206 CA THR 277 0.0384 82.3091 95.9300
2213 CA VAL 278 0.0428 82.3247 96.0200
2220 CA CYS 279 0.0326 82.2881 95.8700
2226 CA TRP 280 0.0346 82.2953 94.9700
2240 CA THR 281 0.0521 82.3582 93.7700
2247 CA PRO 282 0.0607 82.3891 92.9400
2254 CA TYR 283 0.0518 82.3571 90.2200
2266 CA TYR 284 0.0579 82.3790 89.5000
2278 CA VAL 285 0.0843 82.4738 88.8700
2285 CA LEU 286 0.0884 82.4886 85.6400
2293 CA GLY 287 0.0863 82.4811 84.0500
2297 CA ILE 288 0.1041 82.5449 85.1700
2305 CA TRP 289 0.1325 82.6468 84.6100
2319 CA TYR 290 0.1353 82.6568 80.2900
2331 CA TRP 291 0.1356 82.6580 77.2100
2345 CA PHE 292 0.1848 82.8348 79.6200
2356 CA ASP 293 0.2088 82.9208 78.6600
2364 CA PRO 294 0.2093 82.9228 75.1700
2371 CA GLU 295 0.2578 83.0966 77.5500
2380 CA MET 296 0.1947 82.8703 75.5600
2388 CA LEU 297 0.1835 82.8301 69.6200
2396 CA ASN 298 0.2640 83.1192 73.8000
2404 CA ARG 299 0.2361 83.0190 77.5700
2415 CA LEU 300 0.1704 82.7831 79.5200
2423 CA SER 301 0.1603 82.7468 83.1400
2429 CA ASP 302 0.1272 82.6280 81.4600
2437 CA PRO 303 0.1112 82.5703 84.8200
2444 CA VAL 304 0.1066 82.5538 85.8300
2451 CA ASN 305 0.0875 82.4852 85.8600
2459 CA HIS 306 0.0701 82.4227 89.5000
2469 CA PHE 307 0.0713 82.4270 89.6800
2480 CA PHE 308 0.0625 82.3954 90.0100
2491 CA PHE 309 0.0467 82.3390 88.8400
2502 CA LEU 310 0.0418 82.3212 93.9700
2510 CA PHE 311 0.0397 82.3136 93.5800
2521 CA ALA 312 0.0280 82.2715 93.9400
2526 CA PHE 313 0.0232 82.2545 95.7700
2537 CA LEU 314 0.0271 82.2684 96.0800
2545 CA ASN 315 0.0191 82.2398 95.6200
2553 CA PRO 316 0.0156 82.2272 96.6700
2560 CA CYS 317 0.0239 82.2570 96.5200
2566 CA PHE 318 0.0243 82.2585 96.1700
2577 CA ASP 319 0.0177 82.2345 94.9100
2585 CA PRO 320 0.0237 82.2563 93.0500
2592 CA LEU 321 0.0312 82.2832 93.5600
2600 CA ILE 322 0.0259 82.2640 93.7900
2608 CA TYR 323 0.0245 82.2590 86.2700
2620 CA GLY 324 0.0372 82.3048 86.8400
2624 CA TYR 325 0.0492 82.3476 88.1400
2636 CA PHE 326 0.0383 82.3088 84.2800
2647 CA SER 327 0.0494 82.3487 71.4100
2653 CA LEU 328 0.0867 82.4823 58.3800

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.