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

* 3JWO *

B-factor analysis for ID 240228060919933712

Overall B-factor prediction

Correlation= 0.280 for 353 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 LEU 1 10.1480 489.9017 160.7000
10 CA TRP 2 8.4579 424.0957 221.2000
24 CA VAL 3 5.3744 304.0308 103.3000
31 CA THR 4 3.2760 222.3240 141.0000
38 CA VAL 5 1.9781 171.7871 82.1000
45 CA TYR 6 1.1540 139.7015 105.5000
57 CA TYR 7 0.6183 118.8415 94.9300
69 CA GLY 8 0.3754 109.3847 138.6000
73 CA VAL 9 0.1997 102.5426 114.9000
80 CA PRO 10 0.1547 100.7897 102.6000
87 CA VAL 11 0.0994 98.6359 104.7000
94 CA TRP 12 0.0930 98.3888 80.1700
108 CA LYS 13 0.0903 98.2824 135.9000
117 CA GLU 14 0.0744 97.6650 138.5000
126 CA ALA 15 0.0706 97.5142 105.9000
131 CA THR 16 0.0579 97.0204 130.0000
138 CA THR 17 0.0573 96.9999 104.3000
145 CA THR 18 0.0533 96.8418 104.0000
152 CA LEU 19 0.0427 96.4297 97.4300
160 CA PHE 20 0.0449 96.5140 82.9300
171 CA CYS 21 0.0399 96.3214 92.0700
177 CA ALA 22 0.0458 96.5505 80.4800
182 CA SER 23 0.0467 96.5865 81.5000
188 CA ASP 24 0.0626 97.2035 89.5400
196 CA ALA 25 0.0586 97.0492 98.5800
201 CA LYS 26 0.0845 98.0568 121.8000
210 CA ALA 27 0.1362 100.0703 123.9000
215 CA TYR 28 0.1540 100.7616 162.6000
227 CA ASP 29 0.0861 98.1194 161.9000
235 CA THR 30 0.0775 97.7840 90.8900
242 CA GLU 31 0.0390 96.2869 90.9000
251 CA VAL 32 0.0286 95.8821 92.9700
258 CA HIS 33 0.0252 95.7469 89.9200
268 CA ASN 34 0.0380 96.2449 85.2700
276 CA VAL 35 0.0417 96.3926 95.5800
283 CA TRP 36 0.0318 96.0046 81.8900
297 CA ALA 37 0.0357 96.1588 101.1000
302 CA THR 38 0.0538 96.8636 88.2800
309 CA HIS 39 0.0784 97.8213 91.2800
319 CA ALA 40 0.0557 96.9351 94.6500
324 CA CYS 41 0.0489 96.6710 121.3000
330 CA VAL 42 0.0668 97.3666 90.0800
337 CA PRO 43 0.0969 98.5403 78.4800
344 CA THR 44 0.0920 98.3498 114.5000
351 CA ASP 45 0.1434 100.3491 109.6000
359 CA PRO 46 0.2277 103.6327 128.3000
366 CA ASN 47 0.2702 105.2876 139.0000
374 CA PRO 48 0.1721 101.4694 132.4000
381 CA GLN 49 0.1371 100.1055 124.2000
390 CA GLU 50 0.1010 98.6991 128.3000
399 CA VAL 51 0.1100 99.0499 84.6600
406 CA VAL 52 0.1074 98.9494 107.4000
413 CA LEU 53 0.1171 99.3255 74.7900
421 CA VAL 54 0.1732 101.5102 85.3500
428 CA ASN 55 0.1955 102.3799 127.4000
436 CA VAL 56 0.1223 99.5278 105.8000
443 CA THR 57 0.0986 98.6057 90.4600
450 CA GLU 58 0.0779 97.7999 81.5800
459 CA ASN 59 0.0707 97.5200 95.0900
467 CA PHE 60 0.0523 96.8018 105.1000
478 CA ASN 61 0.0426 96.4251 85.9700
486 CA MET 62 0.0304 95.9527 107.9000
494 CA TRP 63 0.0303 95.9466 113.1000
508 CA LYS 64 0.0408 96.3540 102.0000
517 CA ASN 65 0.0322 96.0218 88.7000
525 CA ASP 66 0.0319 96.0092 98.0600
533 CA MET 67 0.0264 95.7941 85.0900
541 CA VAL 68 0.0200 95.5448 71.8900
548 CA GLU 69 0.0222 95.6311 113.9000
557 CA GLN 70 0.0233 95.6738 118.9000
566 CA MET 71 0.0174 95.4447 76.7300
574 CA HIS 72 0.0131 95.2790 71.2700
584 CA GLU 73 0.0170 95.4280 124.8000
593 CA ASP 74 0.0164 95.4062 104.8000
601 CA ILE 75 0.0118 95.2251 88.2300
609 CA ILE 76 0.0126 95.2579 74.1100
617 CA SER 77 0.0184 95.4818 81.3700
623 CA LEU 78 0.0161 95.3957 86.5200
631 CA TRP 79 0.0132 95.2809 75.9700
645 CA ASP 80 0.0185 95.4862 130.7000
653 CA GLN 81 0.0243 95.7127 131.1000
662 CA SER 82 0.0215 95.6049 102.1000
668 CA LEU 83 0.0204 95.5608 105.6000
676 CA LYS 84 0.0299 95.9300 108.7000
685 CA PRO 85 0.0338 96.0820 81.5000
692 CA CYS 86 0.0503 96.7256 119.3000
698 CA VAL 87 0.0573 97.0002 112.3000
705 CA LYS 88 0.0496 96.6991 130.8000
714 CA LEU 89 0.0684 97.4285 96.2100
722 CA THR 90 0.0847 98.0667 107.3000
729 CA GLY 91 0.3093 106.8121 144.3000
733 CA GLY 92 0.3753 109.3793 174.1000
737 CA SER 93 0.1781 101.7015 99.0700
743 CA VAL 94 0.1329 99.9415 90.3300
750 CA ILE 95 0.1041 98.8223 108.4000
758 CA THR 96 0.1070 98.9316 110.3000
765 CA GLN 97 0.0851 98.0812 137.3000
774 CA ALA 98 0.0902 98.2780 82.1000
779 CA CYS 99 0.0507 96.7399 145.4000
785 CA PRO 100 0.0570 96.9878 89.3400
792 CA LYS 101 0.0414 96.3794 137.1000
801 CA VAL 102 0.0375 96.2283 107.6000
808 CA SER 103 0.0360 96.1699 102.0000
814 CA PHE 104 0.0238 95.6953 88.2600
825 CA GLU 105 0.0228 95.6546 79.1100
834 CA PRO 106 0.0186 95.4919 72.3600
841 CA ILE 107 0.0257 95.7689 82.3100
849 CA PRO 108 0.0277 95.8441 83.7600
856 CA ILE 109 0.0270 95.8185 84.2700
864 CA HIS 110 0.0344 96.1060 90.1900
874 CA TYR 111 0.0329 96.0500 76.0000
886 CA CYS 112 0.0445 96.5017 82.9100
892 CA ALA 113 0.0531 96.8359 73.7400
897 CA PRO 114 0.0675 97.3970 94.8100
904 CA ALA 115 0.1483 100.5414 145.8000
909 CA GLY 116 0.1181 99.3648 99.9000
913 CA PHE 117 0.0722 97.5785 126.6000
924 CA ALA 118 0.0655 97.3174 73.0800
929 CA ILE 119 0.0511 96.7559 83.2400
937 CA LEU 120 0.0550 96.9075 80.3100
945 CA LYS 121 0.0507 96.7426 84.7300
954 CA CYS 122 0.0529 96.8286 108.6000
960 CA ASN 123 0.0637 97.2478 74.1200
968 CA ASN 124 0.0649 97.2960 140.1000
976 CA LYS 125 0.0606 97.1277 129.2000
985 CA THR 126 0.0511 96.7564 96.3000
992 CA PHE 127 0.0454 96.5344 110.6000
1003 CA ASN 128 0.0394 96.3005 86.3900
1011 CA GLY 129 0.0378 96.2390 77.4500
1015 CA THR 130 0.0472 96.6053 109.0000
1022 CA GLY 131 0.0694 97.4690 79.3700
1026 CA PRO 132 0.0802 97.8883 95.3000
1033 CA CYS 133 0.0737 97.6387 101.6000
1039 CA THR 134 0.0946 98.4497 117.5000
1046 CA ASN 135 0.0847 98.0649 89.4300
1054 CA VAL 136 0.0717 97.5597 83.1200
1061 CA SER 137 0.0736 97.6329 76.0200
1067 CA THR 138 0.0711 97.5347 76.2500
1074 CA VAL 139 0.0624 97.1980 85.1800
1081 CA GLN 140 0.0613 97.1550 80.8000
1090 CA CYS 141 0.0470 96.5984 104.1000
1096 CA THR 142 0.0378 96.2409 72.2600
1103 CA HIS 143 0.0359 96.1633 101.6000
1113 CA GLY 144 0.0309 95.9693 103.9000
1117 CA ILE 145 0.0209 95.5816 101.4000
1125 CA ARG 146 0.0159 95.3874 99.3400
1136 CA PRO 147 0.0108 95.1872 69.7900
1143 CA VAL 148 0.0082 95.0851 86.2400
1150 CA VAL 149 0.0057 94.9895 75.6600
1157 CA SER 150 0.0054 94.9788 72.4600
1163 CA SER 151 0.0068 95.0326 67.3400
1169 CA GLN 152 0.0072 95.0474 77.9900
1178 CA LEU 153 0.0062 95.0097 78.9000
1186 CA LEU 154 0.0080 95.0795 66.1700
1194 CA LEU 155 0.0108 95.1884 75.7400
1202 CA ASN 156 0.0165 95.4079 86.7600
1210 CA GLY 157 0.0172 95.4366 71.3800
1214 CA SER 158 0.0222 95.6322 77.5600
1220 CA LEU 159 0.0281 95.8624 82.1800
1228 CA ALA 160 0.0333 96.0619 84.3300
1233 CA GLU 161 0.0537 96.8582 115.9000
1242 CA GLU 162 0.0577 97.0137 115.2000
1251 CA GLU 163 0.0437 96.4685 116.1000
1260 CA VAL 164 0.0280 95.8593 75.0800
1267 CA VAL 165 0.0263 95.7900 72.0600
1274 CA ILE 166 0.0233 95.6755 73.0700
1282 CA ARG 167 0.0248 95.7311 77.9000
1293 CA SER 168 0.0276 95.8435 72.1500
1299 CA VAL 169 0.0453 96.5327 78.3000
1306 CA ASN 170 0.0547 96.8959 77.2700
1314 CA PHE 171 0.0441 96.4833 85.6800
1325 CA THR 172 0.0663 97.3489 84.8000
1332 CA ASP 173 0.0655 97.3171 90.0900
1340 CA ASN 174 0.0512 96.7593 77.9600
1348 CA ALA 175 0.0594 97.0789 93.5000
1353 CA LYS 176 0.0390 96.2860 75.5900
1362 CA THR 177 0.0184 95.4829 78.4300
1369 CA ILE 178 0.0169 95.4250 79.2900
1377 CA ILE 179 0.0138 95.3041 69.2200
1385 CA VAL 180 0.0143 95.3232 67.8400
1392 CA GLN 181 0.0177 95.4555 78.5100
1401 CA LEU 182 0.0192 95.5153 83.5100
1409 CA ASN 183 0.0308 95.9653 95.3700
1417 CA THR 184 0.0289 95.8906 103.3000
1424 CA SER 185 0.0235 95.6840 98.8700
1430 CA VAL 186 0.0199 95.5424 105.1000
1437 CA GLU 187 0.0242 95.7077 87.5000
1446 CA ILE 188 0.0194 95.5233 84.5900
1454 CA ASN 189 0.0284 95.8743 104.2000
1462 CA CYS 190 0.0284 95.8728 94.3200
1468 CA THR 191 0.0428 96.4345 86.2100
1475 CA GLY 192 0.0484 96.6531 83.9900
1479 CA ALA 193 0.0656 97.3222 118.9000
1484 CA GLY 194 0.0461 96.5620 99.9200
1488 CA HIS 195 0.0366 96.1927 85.7200
1498 CA CYS 196 0.0268 95.8120 85.2500
1504 CA ASN 197 0.0299 95.9295 89.3900
1512 CA ILE 198 0.0246 95.7264 90.8300
1520 CA ALA 199 0.0349 96.1274 87.4600
1525 CA ARG 200 0.0353 96.1398 99.2900
1536 CA ALA 201 0.0387 96.2739 107.6000
1541 CA LYS 202 0.0313 95.9856 122.1000
1550 CA TRP 203 0.0203 95.5563 70.3700
1564 CA ASN 204 0.0247 95.7294 80.9700
1572 CA ASN 205 0.0296 95.9191 116.3000
1580 CA THR 206 0.0213 95.5981 89.2500
1587 CA LEU 207 0.0186 95.4903 80.3900
1595 CA LYS 208 0.0260 95.7787 84.8200
1604 CA GLN 209 0.0257 95.7689 101.3000
1613 CA ILE 210 0.0204 95.5622 75.2300
1621 CA ALA 211 0.0248 95.7318 82.2200
1626 CA SER 212 0.0355 96.1484 113.9000
1632 CA LYS 213 0.0324 96.0270 83.3000
1641 CA LEU 214 0.0301 95.9397 84.6500
1649 CA ARG 215 0.0422 96.4120 94.0400
1660 CA GLU 216 0.0576 97.0084 132.2000
1669 CA GLN 217 0.0504 96.7287 88.5000
1678 CA PHE 218 0.0523 96.8030 95.5100
1689 CA GLY 219 0.0787 97.8324 162.2000
1693 CA ASN 220 0.0788 97.8359 132.0000
1701 CA ASN 221 0.0842 98.0476 190.4000
1709 CA LYS 222 0.0594 97.0815 137.5000
1718 CA THR 223 0.0464 96.5751 106.3000
1725 CA ILE 224 0.0314 95.9906 76.5500
1733 CA ILE 225 0.0267 95.8082 98.0500
1741 CA PHE 226 0.0206 95.5678 80.0300
1752 CA LYS 227 0.0228 95.6568 76.5900
1761 CA GLN 228 0.0238 95.6927 77.8900
1770 CA SER 229 0.0224 95.6410 73.2500
1776 CA SER 230 0.0585 97.0450 76.7700
1782 CA GLY 231 0.1078 98.9651 80.1400
1786 CA GLY 232 0.1025 98.7590 86.4200
1790 CA ASP 233 0.0450 96.5177 88.0300
1798 CA PRO 234 0.0276 95.8433 73.1500
1805 CA GLU 235 0.0147 95.3394 73.9800
1814 CA ILE 236 0.0162 95.3977 84.9900
1822 CA VAL 237 0.0203 95.5567 75.5100
1829 CA THR 238 0.0155 95.3721 88.4000
1836 CA HIS 239 0.0099 95.1534 97.7100
1846 CA TRP 240 0.0091 95.1206 75.3400
1860 CA PHE 241 0.0086 95.1019 70.3800
1871 CA ASN 242 0.0105 95.1769 96.5100
1879 CA CYS 243 0.0194 95.5232 111.0000
1885 CA GLY 244 0.0245 95.7221 90.0500
1889 CA GLY 245 0.0218 95.6170 95.2100
1893 CA GLU 246 0.0221 95.6283 99.5700
1902 CA PHE 247 0.0155 95.3710 72.6800
1913 CA PHE 248 0.0171 95.4328 81.4500
1924 CA TYR 249 0.0176 95.4535 71.8600
1936 CA CYS 250 0.0186 95.4895 89.1400
1942 CA ASN 251 0.0219 95.6204 89.4000
1950 CA SER 252 0.0160 95.3920 72.1900
1956 CA THR 253 0.0230 95.6611 81.3500
1963 CA GLN 254 0.0235 95.6841 105.7000
1972 CA LEU 255 0.0152 95.3580 77.6400
1980 CA PHE 256 0.0158 95.3816 76.4500
1991 CA ASN 257 0.0254 95.7569 84.2600
1999 CA SER 258 0.0256 95.7627 114.4000
2005 CA THR 259 0.0349 96.1265 103.3000
2012 CA TRP 260 0.0337 96.0806 104.3000
2026 CA PHE 261 0.0538 96.8601 178.9000
2037 CA ASN 262 0.0709 97.5282 178.0000
2045 CA SER 263 0.3032 106.5733 214.6000
2051 CA THR 264 0.4986 114.1802 240.9000
2058 CA GLU 265 1.0294 134.8508 179.0000
2067 CA GLY 266 0.6136 118.6599 266.7000
2071 CA SER 267 0.1405 100.2388 143.1000
2077 CA ASP 268 0.1314 99.8822 154.0000
2085 CA THR 269 0.0501 96.7165 89.7200
2092 CA ILE 270 0.0342 96.0970 96.9000
2100 CA THR 271 0.0346 96.1163 88.9700
2107 CA LEU 272 0.0280 95.8560 73.5000
2115 CA PRO 273 0.0344 96.1063 72.5200
2122 CA CYS 274 0.0298 95.9289 88.4700
2128 CA ARG 275 0.0337 96.0808 95.2500
2139 CA ILE 276 0.0298 95.9265 70.5000
2147 CA LYS 277 0.0317 96.0005 81.9500
2156 CA GLN 278 0.0358 96.1602 82.6500
2165 CA ILE 279 0.0362 96.1753 78.7200
2173 CA ILE 280 0.0246 95.7249 69.4200
2181 CA ASN 281 0.0233 95.6730 84.0400
2189 CA MET 282 0.0197 95.5335 86.3200
2197 CA TRP 283 0.0128 95.2660 85.0700
2211 CA GLN 284 0.0146 95.3351 78.3100
2220 CA LYS 285 0.0548 96.9022 111.9000
2229 CA VAL 286 0.0623 97.1913 89.6600
2236 CA GLY 287 0.0456 96.5443 116.2000
2240 CA LYS 288 0.0382 96.2549 84.7200
2249 CA ALA 289 0.0337 96.0802 92.5200
2254 CA MET 290 0.0390 96.2872 96.5100
2262 CA TYR 291 0.0347 96.1172 92.2900
2274 CA ALA 292 0.0481 96.6397 100.3000
2279 CA PRO 293 0.0622 97.1877 104.7000
2286 CA PRO 294 0.0582 97.0334 107.2000
2293 CA ILE 295 0.0904 98.2875 126.3000
2301 CA SER 296 0.1399 100.2156 161.3000
2307 CA GLY 297 0.1406 100.2413 215.7000
2311 CA GLN 298 0.1259 99.6682 153.5000
2320 CA ILE 299 0.0539 96.8661 75.5300
2328 CA ARG 300 0.0625 97.2011 113.9000
2339 CA CYS 301 0.0328 96.0430 82.7600
2345 CA SER 302 0.0310 95.9751 100.5000
2351 CA SER 303 0.0216 95.6091 78.7900
2357 CA ASN 304 0.0195 95.5278 75.5900
2365 CA ILE 305 0.0127 95.2627 70.4600
2373 CA THR 306 0.0151 95.3568 73.1000
2380 CA GLY 307 0.0112 95.2014 82.1800
2384 CA LEU 308 0.0084 95.0957 68.2100
2392 CA LEU 309 0.0084 95.0943 68.7300
2400 CA LEU 310 0.0110 95.1966 71.7800
2408 CA THR 311 0.0200 95.5472 86.1000
2415 CA ARG 312 0.0264 95.7969 97.2300
2426 CA ASP 313 0.0405 96.3429 112.3000
2434 CA GLY 314 0.0549 96.9058 114.9000
2438 CA GLY 315 0.2173 103.2268 131.7000
2442 CA ASN 316 0.4127 110.8373 139.3000
2450 CA SER 317 0.2063 102.8015 153.4000
2456 CA ASN 318 0.1056 98.8790 238.4000
2464 CA ASN 319 0.1370 100.1010 194.3000
2472 CA GLU 320 0.0963 98.5178 168.8000
2481 CA SER 321 0.0542 96.8783 119.7000
2487 CA GLU 322 0.0394 96.3021 106.5000
2496 CA ILE 323 0.0285 95.8760 98.2900
2504 CA PHE 324 0.0203 95.5585 83.0000
2515 CA ARG 325 0.0160 95.3899 80.3400
2526 CA PRO 326 0.0115 95.2143 77.6000
2533 CA GLY 327 0.0108 95.1861 81.6100
2537 CA GLY 328 0.0092 95.1257 85.3700
2541 CA GLY 329 0.0092 95.1236 78.1000
2545 CA ASP 330 0.0104 95.1703 108.7000
2553 CA MET 331 0.0082 95.0866 95.6100
2561 CA ARG 332 0.0120 95.2350 84.4400
2572 CA ASP 333 0.0115 95.2166 75.4600
2580 CA ASN 334 0.0092 95.1246 76.3600
2588 CA TRP 335 0.0126 95.2561 86.7700
2602 CA ARG 336 0.0169 95.4265 66.5900
2613 CA SER 337 0.0155 95.3724 77.8700
2619 CA GLU 338 0.0186 95.4930 84.2100
2628 CA LEU 339 0.0228 95.6538 68.6300
2636 CA TYR 340 0.0263 95.7908 98.6600
2648 CA LYS 341 0.0354 96.1467 115.0000
2657 CA TYR 342 0.0366 96.1904 92.1200
2669 CA LYS 343 0.0443 96.4921 76.4800
2678 CA VAL 344 0.0477 96.6259 105.4000
2685 CA VAL 345 0.0664 97.3523 103.7000
2692 CA LYS 346 0.0810 97.9218 116.4000
2701 CA ILE 347 0.0986 98.6070 83.5800
2709 CA GLU 348 0.1266 99.6980 126.3000
2718 CA PRO 349 0.2270 103.6073 165.6000
2725 CA LEU 350 0.1675 101.2873 122.9000
2733 CA GLY 351 0.2686 105.2264 166.5000
2737 CA VAL 352 0.4325 111.6090 190.7000
2744 CA ALA 353 0.8087 126.2556 174.9000

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.