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

* 3JWO_unrelaxed_rank_001_alphafold2_ptm_model_4_seed_000 *

B-factor analysis for ID 240220090117148501

Overall B-factor prediction

Correlation= -0.498 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 4.2454 228.2433 54.9100
10 CA TRP 2 2.4784 169.7093 58.6900
24 CA VAL 3 1.4887 136.9249 58.3100
31 CA THR 4 0.8120 114.5075 67.9400
38 CA VAL 5 0.6115 107.8681 68.1900
45 CA TYR 6 0.3312 98.5805 67.1200
57 CA TYR 7 0.3518 99.2622 67.8800
69 CA GLY 8 0.3149 98.0398 66.7500
73 CA VAL 9 0.2331 95.3319 69.9400
80 CA PRO 10 0.1029 91.0198 71.3800
87 CA VAL 11 0.0640 89.7308 84.1900
94 CA TRP 12 0.0433 89.0446 90.7500
108 CA LYS 13 0.0460 89.1344 91.7500
117 CA GLU 14 0.0313 88.6466 92.5000
126 CA ALA 15 0.0333 88.7132 93.1900
131 CA THR 16 0.0345 88.7543 93.6200
138 CA THR 17 0.0324 88.6825 93.7500
145 CA THR 18 0.0328 88.6971 94.5600
152 CA LEU 19 0.0227 88.3602 96.1900
160 CA PHE 20 0.0258 88.4632 95.0600
171 CA CYS 21 0.0236 88.3918 95.5600
177 CA ALA 22 0.0254 88.4519 94.5600
182 CA SER 23 0.0268 88.4974 93.3100
188 CA ASP 24 0.0378 88.8609 89.1900
196 CA ALA 25 0.0407 88.9583 86.9400
201 CA LYS 26 0.0704 89.9419 84.8800
210 CA ALA 27 0.1243 91.7259 80.3800
215 CA TYR 28 0.1403 92.2559 84.1200
227 CA ASP 29 0.0683 89.8719 82.3100
235 CA THR 30 0.0716 89.9833 80.9400
242 CA GLU 31 0.0303 88.6128 82.6900
251 CA VAL 32 0.0244 88.4174 83.7500
258 CA HIS 33 0.0200 88.2718 80.3100
268 CA ASN 34 0.0259 88.4675 85.0600
276 CA VAL 35 0.0331 88.7063 84.1900
283 CA TRP 36 0.0260 88.4696 88.7500
297 CA ALA 37 0.0255 88.4544 85.6900
302 CA THR 38 0.0393 88.9121 82.6200
309 CA HIS 39 0.0610 89.6312 86.4400
319 CA ALA 40 0.0407 88.9580 89.9400
324 CA CYS 41 0.0319 88.6680 93.8100
330 CA VAL 42 0.0415 88.9835 94.1900
337 CA PRO 43 0.0540 89.3996 93.3800
344 CA THR 44 0.0493 89.2439 92.4400
351 CA ASP 45 0.0956 90.7762 90.4400
359 CA PRO 46 0.1840 93.7049 87.2500
366 CA ASN 47 0.1707 93.2629 90.0600
374 CA PRO 48 0.0910 90.6234 89.0600
381 CA GLN 49 0.0748 90.0864 92.0600
390 CA GLU 50 0.0521 89.3355 94.5600
399 CA VAL 51 0.0583 89.5425 94.0000
406 CA VAL 52 0.0535 89.3810 95.0000
413 CA LEU 53 0.0560 89.4660 92.3800
421 CA VAL 54 0.1026 91.0097 90.5600
428 CA ASN 55 0.1213 91.6273 90.1900
436 CA VAL 56 0.0570 89.4985 91.9400
443 CA THR 57 0.0419 88.9991 94.3100
450 CA GLU 58 0.0306 88.6227 94.9400
459 CA ASN 59 0.0287 88.5597 96.0600
467 CA PHE 60 0.0200 88.2709 97.0000
478 CA ASN 61 0.0175 88.1901 96.3800
486 CA MET 62 0.0128 88.0342 95.7500
494 CA TRP 63 0.0144 88.0875 95.6900
508 CA LYS 64 0.0237 88.3966 94.1900
517 CA ASN 65 0.0155 88.1226 94.6200
525 CA ASP 66 0.0172 88.1799 94.4400
533 CA MET 67 0.0134 88.0532 96.1200
541 CA VAL 68 0.0121 88.0104 96.3100
548 CA GLU 69 0.0152 88.1127 95.6200
557 CA GLN 70 0.0162 88.1450 95.6900
566 CA MET 71 0.0125 88.0230 95.0000
574 CA HIS 72 0.0115 87.9915 95.5600
584 CA GLU 73 0.0159 88.1365 94.4400
593 CA ASP 74 0.0146 88.0929 93.5600
601 CA ILE 75 0.0111 87.9761 93.2500
609 CA ILE 76 0.0126 88.0264 93.6200
617 CA SER 77 0.0166 88.1593 92.1200
623 CA LEU 78 0.0139 88.0689 90.5600
631 CA TRP 79 0.0105 87.9572 89.3100
645 CA ASP 80 0.0141 88.0783 88.2500
653 CA GLN 81 0.0180 88.2047 85.6200
662 CA SER 82 0.0148 88.0985 85.0000
668 CA LEU 83 0.0126 88.0268 85.3800
676 CA LYS 84 0.0187 88.2293 86.1200
685 CA PRO 85 0.0206 88.2939 88.3800
692 CA CYS 86 0.0302 88.6117 89.0600
698 CA VAL 87 0.0395 88.9193 88.1900
705 CA LYS 88 0.0380 88.8685 86.9400
714 CA LEU 89 0.0576 89.5194 84.7500
722 CA THR 90 0.0853 90.4369 80.4400
729 CA GLY 91 0.3748 100.0240 68.1200
733 CA GLY 92 0.3339 98.6710 73.8100
737 CA SER 93 0.1715 93.2919 71.6900
743 CA VAL 94 0.1157 91.4435 75.6200
750 CA ILE 95 0.0919 90.6533 75.9400
758 CA THR 96 0.0843 90.4030 76.7500
765 CA GLN 97 0.0647 89.7542 77.5000
774 CA ALA 98 0.0687 89.8871 75.0600
779 CA CYS 99 0.0326 88.6888 78.8100
785 CA PRO 100 0.0355 88.7850 77.3800
792 CA LYS 101 0.0238 88.3966 78.2500
801 CA VAL 102 0.0213 88.3150 81.1900
808 CA SER 103 0.0174 88.1872 82.1900
814 CA PHE 104 0.0131 88.0441 84.2500
825 CA GLU 105 0.0166 88.1609 86.8800
834 CA PRO 106 0.0127 88.0315 88.6900
841 CA ILE 107 0.0174 88.1857 90.0600
849 CA PRO 108 0.0174 88.1862 93.8100
856 CA ILE 109 0.0152 88.1118 94.6900
864 CA HIS 110 0.0176 88.1935 95.6200
874 CA TYR 111 0.0165 88.1570 96.7500
886 CA CYS 112 0.0205 88.2877 96.3800
892 CA ALA 113 0.0233 88.3828 95.6200
897 CA PRO 114 0.0336 88.7216 94.5000
904 CA ALA 115 0.1165 91.4692 90.5600
909 CA GLY 116 0.0604 89.6104 89.8800
913 CA PHE 117 0.0283 88.5489 93.8800
924 CA ALA 118 0.0234 88.3858 94.2500
929 CA ILE 119 0.0174 88.1850 96.7500
937 CA LEU 120 0.0177 88.1962 96.8100
945 CA LYS 121 0.0180 88.2048 97.4400
954 CA CYS 122 0.0187 88.2282 97.3800
960 CA ASN 123 0.0260 88.4725 96.3800
968 CA ASN 124 0.0275 88.5207 96.5000
976 CA LYS 125 0.0311 88.6384 95.5000
985 CA THR 126 0.0220 88.3398 92.9400
992 CA PHE 127 0.0168 88.1651 95.0000
1003 CA ASN 128 0.0153 88.1151 92.6200
1011 CA GLY 129 0.0139 88.0699 93.1200
1015 CA THR 130 0.0175 88.1897 95.5600
1022 CA GLY 131 0.0299 88.6001 95.5000
1026 CA PRO 132 0.0348 88.7622 96.8100
1033 CA CYS 133 0.0305 88.6203 96.8800
1039 CA THR 134 0.0416 88.9876 95.9400
1046 CA ASN 135 0.0353 88.7802 96.4400
1054 CA VAL 136 0.0277 88.5265 96.9400
1061 CA SER 137 0.0279 88.5333 96.6200
1067 CA THR 138 0.0272 88.5114 94.9400
1074 CA VAL 139 0.0236 88.3925 95.6900
1081 CA GLN 140 0.0246 88.4256 94.5000
1090 CA CYS 141 0.0189 88.2367 95.8800
1096 CA THR 142 0.0157 88.1314 96.1200
1103 CA HIS 143 0.0155 88.1217 94.6200
1113 CA GLY 144 0.0158 88.1349 95.0600
1117 CA ILE 145 0.0117 87.9969 95.6200
1125 CA ARG 146 0.0102 87.9461 93.6900
1136 CA PRO 147 0.0085 87.8907 91.9400
1143 CA VAL 148 0.0067 87.8333 93.3800
1150 CA VAL 149 0.0059 87.8055 93.8800
1157 CA SER 150 0.0055 87.7909 95.8100
1163 CA SER 151 0.0062 87.8163 96.5000
1169 CA GLN 152 0.0060 87.8075 97.5600
1178 CA LEU 153 0.0049 87.7726 97.8800
1186 CA LEU 154 0.0062 87.8141 97.5600
1194 CA LEU 155 0.0077 87.8639 97.5600
1202 CA ASN 156 0.0104 87.9553 96.3800
1210 CA GLY 157 0.0104 87.9528 95.6900
1214 CA SER 158 0.0116 87.9951 95.7500
1220 CA LEU 159 0.0157 88.1296 97.5000
1228 CA ALA 160 0.0163 88.1491 96.8100
1233 CA GLU 161 0.0312 88.6419 94.4400
1242 CA GLU 162 0.0333 88.7136 93.7500
1251 CA GLU 163 0.0197 88.2620 95.6200
1260 CA VAL 164 0.0129 88.0369 97.2500
1267 CA VAL 165 0.0104 87.9554 97.2500
1274 CA ILE 166 0.0094 87.9222 97.5600
1282 CA ARG 167 0.0099 87.9386 96.6200
1293 CA SER 168 0.0120 88.0072 96.3800
1299 CA VAL 169 0.0238 88.3996 95.7500
1306 CA ASN 170 0.0304 88.6168 94.6900
1314 CA PHE 171 0.0221 88.3409 93.9400
1325 CA THR 172 0.0393 88.9104 92.7500
1332 CA ASP 173 0.0413 88.9789 93.7500
1340 CA ASN 174 0.0316 88.6578 92.3100
1348 CA ALA 175 0.0406 88.9559 92.5000
1353 CA LYS 176 0.0261 88.4749 94.7500
1362 CA THR 177 0.0107 87.9632 96.1900
1369 CA ILE 178 0.0082 87.8825 97.6200
1377 CA ILE 179 0.0067 87.8331 97.9400
1385 CA VAL 180 0.0068 87.8342 98.1200
1392 CA GLN 181 0.0082 87.8823 98.1200
1401 CA LEU 182 0.0097 87.9310 98.3100
1409 CA ASN 183 0.0166 88.1590 97.5000
1417 CA THR 184 0.0177 88.1971 97.6200
1424 CA SER 185 0.0150 88.1054 97.8800
1430 CA VAL 186 0.0137 88.0634 97.8100
1437 CA GLU 187 0.0175 88.1892 97.6900
1446 CA ILE 188 0.0141 88.0765 97.2500
1454 CA ASN 189 0.0198 88.2672 96.1900
1462 CA CYS 190 0.0176 88.1928 94.0000
1468 CA THR 191 0.0269 88.5002 88.1900
1475 CA GLY 192 0.0294 88.5827 76.5600
1479 CA ALA 193 0.0438 89.0600 75.5000
1484 CA GLY 194 0.0274 88.5189 83.9400
1488 CA HIS 195 0.0218 88.3319 92.8800
1498 CA CYS 196 0.0171 88.1750 96.8800
1504 CA ASN 197 0.0204 88.2859 96.4400
1512 CA ILE 198 0.0186 88.2269 96.9400
1520 CA ALA 199 0.0267 88.4953 95.5600
1525 CA ARG 200 0.0247 88.4275 93.8100
1536 CA ALA 201 0.0301 88.6072 92.8100
1541 CA LYS 202 0.0230 88.3713 94.8800
1550 CA TRP 203 0.0148 88.0999 95.6200
1564 CA ASN 204 0.0169 88.1693 94.3800
1572 CA ASN 205 0.0191 88.2410 93.8100
1580 CA THR 206 0.0136 88.0594 95.8100
1587 CA LEU 207 0.0114 87.9872 95.6900
1595 CA LYS 208 0.0158 88.1343 94.5600
1604 CA GLN 209 0.0136 88.0615 95.5000
1613 CA ILE 210 0.0102 87.9480 96.7500
1621 CA ALA 211 0.0128 88.0329 95.4400
1626 CA SER 212 0.0180 88.2045 94.8100
1632 CA LYS 213 0.0146 88.0949 95.5000
1641 CA LEU 214 0.0131 88.0442 96.1900
1649 CA ARG 215 0.0214 88.3193 93.8100
1660 CA GLU 216 0.0308 88.6288 93.7500
1669 CA GLN 217 0.0237 88.3935 93.8800
1678 CA PHE 218 0.0237 88.3944 91.0000
1689 CA GLY 219 0.0441 89.0706 88.8800
1693 CA ASN 220 0.0527 89.3547 87.5000
1701 CA ASN 221 0.0678 89.8567 87.4400
1709 CA LYS 222 0.0343 88.7466 88.9400
1718 CA THR 223 0.0250 88.4381 91.2500
1725 CA ILE 224 0.0162 88.1475 94.3100
1733 CA ILE 225 0.0143 88.0841 94.8100
1741 CA PHE 226 0.0117 87.9967 96.3100
1752 CA LYS 227 0.0136 88.0620 96.1900
1761 CA GLN 228 0.0151 88.1092 95.6900
1770 CA SER 229 0.0149 88.1043 94.3800
1776 CA SER 230 0.0406 88.9540 91.8100
1782 CA GLY 231 0.0964 90.8023 92.6200
1786 CA GLY 232 0.0833 90.3682 91.9400
1790 CA ASP 233 0.0399 88.9314 93.5600
1798 CA PRO 234 0.0216 88.3249 95.0000
1805 CA GLU 235 0.0101 87.9433 95.0600
1814 CA ILE 236 0.0117 87.9971 94.4400
1822 CA VAL 237 0.0131 88.0452 95.7500
1829 CA THR 238 0.0100 87.9409 96.3100
1836 CA HIS 239 0.0070 87.8423 97.0600
1846 CA TRP 240 0.0060 87.8080 96.1200
1860 CA PHE 241 0.0060 87.8099 95.3100
1871 CA ASN 242 0.0063 87.8170 92.3800
1879 CA CYS 243 0.0112 87.9810 90.4400
1885 CA GLY 244 0.0131 88.0422 86.6900
1889 CA GLY 245 0.0113 87.9841 86.7500
1893 CA GLU 246 0.0105 87.9578 89.4400
1902 CA PHE 247 0.0076 87.8621 92.6200
1913 CA PHE 248 0.0088 87.9002 94.5000
1924 CA TYR 249 0.0099 87.9371 96.4400
1936 CA CYS 250 0.0112 87.9820 97.1900
1942 CA ASN 251 0.0130 88.0394 96.5600
1950 CA SER 252 0.0104 87.9538 96.0600
1956 CA THR 253 0.0151 88.1085 95.1900
1963 CA GLN 254 0.0161 88.1428 93.1900
1972 CA LEU 255 0.0105 87.9582 95.6900
1980 CA PHE 256 0.0103 87.9498 95.5000
1991 CA ASN 257 0.0177 88.1977 93.2500
1999 CA SER 258 0.0174 88.1854 90.6200
2005 CA THR 259 0.0223 88.3501 90.5600
2012 CA TRP 260 0.0197 88.2632 83.8100
2026 CA PHE 261 0.0589 89.5600 70.8800
2037 CA ASN 262 0.1116 91.3082 55.7800
2045 CA SER 263 0.0754 90.1060 56.4100
2051 CA THR 264 0.1476 92.4987 57.6900
2058 CA GLU 265 0.0877 90.5138 64.0600
2067 CA GLY 266 0.0889 90.5540 73.3100
2071 CA SER 267 0.1014 90.9696 80.0000
2077 CA ASP 268 0.0858 90.4513 89.2500
2085 CA THR 269 0.0378 88.8612 94.6900
2092 CA ILE 270 0.0250 88.4373 95.1900
2100 CA THR 271 0.0228 88.3660 96.1900
2107 CA LEU 272 0.0172 88.1789 96.5000
2115 CA PRO 273 0.0197 88.2612 96.5600
2122 CA CYS 274 0.0166 88.1600 95.7500
2128 CA ARG 275 0.0214 88.3187 93.0000
2139 CA ILE 276 0.0150 88.1053 91.4400
2147 CA LYS 277 0.0149 88.1044 91.3100
2156 CA GLN 278 0.0161 88.1430 90.5600
2165 CA ILE 279 0.0182 88.2137 92.3800
2173 CA ILE 280 0.0141 88.0753 93.5000
2181 CA ASN 281 0.0167 88.1643 93.1200
2189 CA MET 282 0.0164 88.1539 90.9400
2197 CA TRP 283 0.0125 88.0249 91.7500
2211 CA GLN 284 0.0153 88.1157 89.4400
2220 CA LYS 285 0.0475 89.1821 86.1900
2229 CA VAL 286 0.0596 89.5852 86.0600
2236 CA GLY 287 0.0384 88.8834 89.9400
2240 CA LYS 288 0.0286 88.5579 91.0600
2249 CA ALA 289 0.0208 88.2999 91.1200
2254 CA MET 290 0.0217 88.3302 90.8800
2262 CA TYR 291 0.0165 88.1553 89.8100
2274 CA ALA 292 0.0230 88.3710 86.3100
2279 CA PRO 293 0.0303 88.6139 83.3100
2286 CA PRO 294 0.0314 88.6484 78.1900
2293 CA ILE 295 0.0671 89.8337 72.6200
2301 CA SER 296 0.1634 93.0234 66.6200
2307 CA GLY 297 0.1864 93.7831 73.1900
2311 CA GLN 298 0.0884 90.5380 76.8800
2320 CA ILE 299 0.0320 88.6684 82.1900
2328 CA ARG 300 0.0359 88.8006 88.2500
2339 CA CYS 301 0.0219 88.3355 91.1200
2345 CA SER 302 0.0239 88.4015 94.5600
2351 CA SER 303 0.0148 88.1008 96.1200
2357 CA ASN 304 0.0131 88.0449 97.5000
2365 CA ILE 305 0.0088 87.9020 98.2500
2373 CA THR 306 0.0093 87.9194 97.9400
2380 CA GLY 307 0.0067 87.8321 97.6900
2384 CA LEU 308 0.0052 87.7825 97.6900
2392 CA LEU 309 0.0054 87.7884 97.9400
2400 CA LEU 310 0.0059 87.8037 97.5000
2408 CA THR 311 0.0116 87.9944 96.0600
2415 CA ARG 312 0.0137 88.0627 94.3100
2426 CA ASP 313 0.0235 88.3887 91.8100
2434 CA GLY 314 0.0462 89.1395 82.5600
2438 CA GLY 315 0.2419 95.6236 77.3100
2442 CA ASN 316 0.4762 103.3853 59.1200
2450 CA SER 317 0.5184 104.7831 50.4700
2456 CA ASN 318 0.2804 96.8988 60.2200
2464 CA ASN 319 0.0970 90.8238 65.0600
2472 CA GLU 320 0.0774 90.1731 85.1900
2481 CA SER 321 0.0310 88.6365 89.8100
2487 CA GLU 322 0.0201 88.2745 92.6900
2496 CA ILE 323 0.0140 88.0751 94.7500
2504 CA PHE 324 0.0104 87.9557 96.5600
2515 CA ARG 325 0.0092 87.9130 96.9400
2526 CA PRO 326 0.0079 87.8700 97.2500
2533 CA GLY 327 0.0078 87.8672 93.6200
2537 CA GLY 328 0.0077 87.8654 87.2500
2541 CA GLY 329 0.0085 87.8922 85.8800
2545 CA ASP 330 0.0092 87.9145 94.0000
2553 CA MET 331 0.0079 87.8712 94.4400
2561 CA ARG 332 0.0092 87.9158 95.6900
2572 CA ASP 333 0.0077 87.8653 96.3100
2580 CA ASN 334 0.0071 87.8440 96.4400
2588 CA TRP 335 0.0083 87.8844 95.3100
2602 CA ARG 336 0.0090 87.9079 96.3800
2613 CA SER 337 0.0083 87.8838 95.5000
2619 CA GLU 338 0.0092 87.9152 96.2500
2628 CA LEU 339 0.0103 87.9499 97.0600
2636 CA TYR 340 0.0104 87.9548 96.3100
2648 CA LYS 341 0.0127 88.0315 96.0000
2657 CA TYR 342 0.0131 88.0446 97.4400
2669 CA LYS 343 0.0171 88.1749 95.8100
2678 CA VAL 344 0.0185 88.2214 96.6200
2685 CA VAL 345 0.0261 88.4759 95.3100
2692 CA LYS 346 0.0318 88.6649 93.6900
2701 CA ILE 347 0.0364 88.8168 89.8800
2709 CA GLU 348 0.0522 89.3386 84.2500
2718 CA PRO 349 0.0981 90.8586 75.6900
2725 CA LEU 350 0.1753 93.4181 66.6900
2733 CA GLY 351 0.2842 97.0230 62.9700
2737 CA VAL 352 0.3728 99.9592 64.5000
2744 CA ALA 353 0.6475 109.0605 59.9400

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.