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

* TRANSFERASE 14-DEC-16 5U8E *

B-factor analysis for ID 22100401573516779

Overall B-factor prediction

Correlation= 0.695 for 346 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 0.1066 43.9631 36.2600
7 CA VAL 2 0.0502 27.8823 33.0800
14 CA ASP 3 0.0998 42.0258 27.4200
22 CA GLN 4 0.1069 44.0422 23.6800
31 CA ALA 5 0.0896 39.1111 27.4200
36 CA THR 6 0.0493 27.6292 25.6000
43 CA LEU 7 0.0435 25.9839 28.3000
51 CA ASP 8 0.0626 31.4142 24.1300
59 CA LYS 9 0.0466 26.8596 23.8800
68 CA LEU 10 0.0262 21.0360 21.6500
76 CA GLU 11 0.0362 23.8798 24.1000
85 CA ALA 12 0.0444 26.2326 28.0200
90 CA GLY 13 0.0299 22.1016 26.1200
94 CA PHE 14 0.0265 21.1346 28.4100
105 CA LYS 15 0.0452 26.4489 33.9800
114 CA LYS 16 0.0420 25.5338 27.6300
123 CA LEU 17 0.0311 22.4392 31.3700
131 CA GLN 18 0.0439 26.0728 38.2200
140 CA ASP 19 0.0830 37.2183 37.5400
148 CA ALA 20 0.0773 35.6145 39.8800
153 CA THR 21 0.1445 54.7767 44.0400
160 CA ASP 22 0.1455 55.0481 50.8700
168 CA LYS 24 0.0694 33.3564 33.4300
177 CA SER 25 0.0316 22.5745 22.3000
183 CA LEU 26 0.0216 19.7390 22.4700
191 CA LEU 27 0.0152 17.9167 19.8800
199 CA LYS 28 0.0239 20.3876 24.9400
208 CA LYS 29 0.0285 21.6969 25.6400
217 CA TYR 30 0.0186 18.8750 19.6800
229 CA LEU 31 0.0161 18.1538 21.6900
237 CA ASN 32 0.0325 22.8286 23.3700
245 CA ARG 33 0.0335 23.1231 28.6800
256 CA GLU 34 0.0496 27.7063 28.5600
265 CA VAL 35 0.0247 20.6189 29.1000
272 CA PHE 36 0.0205 19.4020 25.4500
283 CA ASP 37 0.0298 22.0619 28.2600
291 CA GLN 38 0.0268 21.2190 23.8400
300 CA CYS 39 0.0179 18.6613 23.3800
306 CA LYS 40 0.0207 19.4826 24.8300
315 CA SER 41 0.0295 21.9723 25.3900
321 CA LEU 42 0.0227 20.0307 20.9100
329 CA LYS 43 0.0239 20.3901 23.0500
338 CA THR 44 0.0228 20.0620 17.2000
345 CA ALA 45 0.0508 28.0566 20.9500
350 CA LEU 46 0.0314 22.5139 22.2700
358 CA GLY 47 0.0316 22.5682 16.3000
362 CA ALA 48 0.0149 17.8112 18.1200
367 CA THR 49 0.0140 17.5470 16.0200
374 CA LEU 50 0.0099 16.3913 17.4700
382 CA LEU 51 0.0126 17.1752 16.7800
390 CA ASP 52 0.0086 16.0334 15.6800
398 CA CYS 53 0.0070 15.5529 11.4300
404 CA ILE 54 0.0092 16.1978 13.0100
412 CA GLN 55 0.0124 17.0941 16.1000
421 CA SER 56 0.0156 18.0230 18.2700
427 CA GLY 57 0.0173 18.5077 15.5000
431 CA VAL 58 0.0216 19.7206 22.1900
438 CA GLU 59 0.0306 22.3004 24.8900
447 CA ASN 60 0.0322 22.7491 19.0300
455 CA LEU 61 0.0371 24.1546 23.7600
463 CA ASP 62 0.0525 28.5427 27.5100
471 CA SER 63 0.0363 23.9231 24.4000
477 CA GLY 64 0.0361 23.8711 22.7700
481 CA VAL 65 0.0211 19.5986 18.8700
488 CA GLY 66 0.0149 17.8101 16.0700
492 CA ILE 67 0.0092 16.1882 12.8300
500 CA TYR 68 0.0067 15.4827 13.5200
512 CA ALA 69 0.0055 15.1472 12.2400
517 CA PRO 70 0.0066 15.4483 15.7600
524 CA ASP 71 0.0075 15.7192 15.1700
532 CA ALA 72 0.0089 16.0960 14.1300
537 CA GLU 73 0.0117 16.9174 16.0000
546 CA ALA 74 0.0074 15.6738 10.3600
551 CA TYR 75 0.0073 15.6493 11.7300
563 CA THR 76 0.0143 17.6345 14.0600
570 CA LEU 77 0.0142 17.6277 13.4000
578 CA PHE 78 0.0098 16.3743 13.8400
589 CA ALA 79 0.0130 17.2699 15.5900
594 CA PRO 80 0.0145 17.7074 15.6100
601 CA ILE 81 0.0108 16.6386 10.1900
609 CA PHE 82 0.0090 16.1259 11.9600
620 CA ASN 83 0.0128 17.2099 14.3800
628 CA PRO 84 0.0162 18.1906 13.1400
635 CA ILE 85 0.0143 17.6361 16.8000
643 CA ILE 86 0.0136 17.4392 13.6200
651 CA GLU 87 0.0198 19.2019 18.6300
660 CA ASP 88 0.0240 20.4117 18.8400
668 CA TYR 89 0.0208 19.4905 20.4900
680 CA HIS 90 0.0205 19.4090 24.3000
690 CA GLU 91 0.0354 23.6510 28.1200
699 CA GLY 92 0.0400 24.9690 25.3000
703 CA PHE 93 0.0243 20.5075 16.2900
714 CA LYS 94 0.0353 23.6184 20.3600
723 CA PRO 95 0.0316 22.5854 15.8000
730 CA THR 96 0.0630 31.5434 17.5900
737 CA ASP 97 0.0401 24.9989 15.0000
745 CA LYS 98 0.0234 20.2383 13.0500
754 CA HIS 99 0.0156 18.0181 13.6400
764 CA PRO 100 0.0194 19.0902 13.9000
771 CA PRO 101 0.0235 20.2733 19.0200
778 CA THR 102 0.0153 17.9210 17.8000
785 CA ASP 103 0.0160 18.1364 21.0100
793 CA PHE 104 0.0126 17.1655 18.7500
804 CA GLY 105 0.0180 18.7095 20.6800
808 CA ASP 106 0.0340 23.2500 27.7200
816 CA ILE 107 0.0209 19.5333 30.3000
824 CA ASN 108 0.0438 26.0691 31.2900
832 CA THR 109 0.0284 21.6798 26.9300
839 CA ILE 110 0.0142 17.6234 21.9300
847 CA VAL 111 0.0173 18.5115 22.1900
854 CA ASN 112 0.0196 19.1530 22.1200
862 CA VAL 113 0.0166 18.3045 21.4600
869 CA ASP 114 0.0294 21.9586 20.7400
877 CA PRO 115 0.0701 33.5560 23.4700
884 CA SER 116 0.0935 40.2285 26.6800
890 CA GLY 117 0.0663 32.4746 22.2000
894 CA LYS 118 0.0583 30.1850 21.0400
903 CA TYR 119 0.0383 24.5005 18.9000
915 CA VAL 120 0.0256 20.8713 19.6400
922 CA VAL 121 0.0331 23.0108 20.7400
929 CA SER 122 0.0222 19.8973 21.0800
935 CA THR 123 0.0140 17.5628 18.9800
942 CA HIS 124 0.0104 16.5283 20.3500
952 CA VAL 125 0.0083 15.9298 17.0500
959 CA ARG 126 0.0075 15.7174 16.6300
970 CA CYS 127 0.0072 15.6294 14.5700
976 CA GLY 128 0.0067 15.4817 14.2100
980 CA ARG 129 0.0061 15.3186 14.2600
991 CA SER 130 0.0069 15.5255 14.4400
997 CA LEU 131 0.0082 15.9144 18.6600
1005 CA LYS 132 0.0154 17.9705 22.2300
1014 CA GLY 133 0.0178 18.6490 19.8300
1018 CA TYR 134 0.0103 16.5123 18.9800
1030 CA PRO 135 0.0104 16.5249 12.7100
1037 CA PHE 136 0.0062 15.3502 12.8600
1048 CA ASN 137 0.0073 15.6515 15.7000
1056 CA PRO 138 0.0089 16.1117 14.4100
1063 CA CYS 139 0.0100 16.4078 18.6100
1069 CA LEU 140 0.0132 17.3388 17.0200
1077 CA THR 141 0.0210 19.5673 19.5600
1084 CA GLU 142 0.0272 21.3094 22.9500
1093 CA ALA 143 0.0323 22.7681 17.6900
1098 CA ASN 144 0.0167 18.3302 19.6900
1106 CA TYR 145 0.0128 17.2182 16.8900
1118 CA LYS 146 0.0209 19.5217 20.0900
1127 CA GLU 147 0.0218 19.7728 22.2800
1136 CA MET 148 0.0112 16.7639 17.7100
1144 CA GLU 149 0.0107 16.6085 20.0200
1153 CA ASP 150 0.0216 19.7358 23.4500
1161 CA LYS 151 0.0191 19.0280 23.4500
1170 CA VAL 152 0.0107 16.6169 21.8500
1177 CA SER 153 0.0117 16.9098 21.5400
1183 CA ALA 154 0.0178 18.6528 26.3100
1188 CA ILE 155 0.0157 18.0574 22.8800
1196 CA PHE 156 0.0121 17.0274 25.1300
1207 CA GLY 157 0.0202 19.3200 28.9500
1211 CA THR 158 0.0298 22.0605 33.1700
1218 CA PHE 159 0.0210 19.5512 25.5600
1229 CA GLU 160 0.0541 28.9859 35.7400
1238 CA GLY 161 0.0644 31.9424 29.0200
1242 CA GLU 162 0.0204 19.3763 31.0300
1251 CA LEU 163 0.0145 17.7002 24.2100
1259 CA LYS 164 0.0215 19.7105 23.6000
1268 CA GLY 165 0.0187 18.8925 22.8800
1272 CA LYS 166 0.0141 17.5780 21.7800
1281 CA TYR 167 0.0101 16.4432 16.6900
1293 CA TYR 168 0.0128 17.2207 14.2300
1305 CA PRO 169 0.0150 17.8382 11.2700
1312 CA LEU 170 0.0164 18.2344 13.8600
1320 CA THR 171 0.0232 20.1852 18.2100
1327 CA GLY 172 0.0984 41.6218 18.0300
1331 CA MET 173 0.0526 28.5747 15.1600
1339 CA ASP 174 0.1062 43.8526 13.9800
1347 CA LYS 175 0.1192 47.5388 20.0500
1356 CA ALA 176 0.0961 40.9537 15.1900
1361 CA THR 177 0.0556 29.4090 19.4800
1368 CA GLN 178 0.0511 28.1404 17.1100
1377 CA GLN 179 0.0723 34.1758 19.7000
1386 CA GLN 180 0.0520 28.3914 18.1600
1395 CA LEU 181 0.0325 22.8377 18.4900
1403 CA ILE 182 0.0542 29.0068 19.4700
1411 CA ASP 183 0.0739 34.6501 21.9500
1419 CA ASP 184 0.0521 28.4116 23.1000
1427 CA HIS 185 0.0566 29.7097 22.5200
1437 CA PHE 186 0.0203 19.3527 15.9300
1448 CA LEU 187 0.0225 19.9778 14.2600
1456 CA PHE 188 0.0220 19.8384 15.0900
1467 CA LYS 189 0.0330 22.9682 23.4700
1476 CA GLU 190 0.0281 21.5934 23.3300
1485 CA GLY 191 0.0292 21.8894 20.4100
1489 CA ASP 192 0.0562 29.5906 17.8600
1497 CA ARG 193 0.0417 25.4641 17.6600
1508 CA PHE 194 0.0237 20.3226 19.5100
1519 CA LEU 195 0.0194 19.1052 15.4100
1527 CA GLN 196 0.0214 19.6834 19.6900
1536 CA ALA 197 0.0207 19.4788 14.3600
1541 CA ALA 198 0.0132 17.3410 14.1900
1546 CA ASN 199 0.0134 17.3918 16.1600
1554 CA ALA 200 0.0117 16.9023 16.0900
1559 CA CYS 201 0.0148 17.7873 17.8100
1565 CA ARG 202 0.0191 19.0251 18.8300
1576 CA TYR 203 0.0225 19.9698 17.7200
1588 CA TRP 204 0.0210 19.5539 19.9500
1602 CA PRO 205 0.0186 18.8688 16.9000
1609 CA THR 206 0.0174 18.5407 18.3400
1616 CA GLY 207 0.0118 16.9325 14.2100
1620 CA ARG 208 0.0092 16.1814 11.8500
1631 CA GLY 209 0.0096 16.3142 10.5500
1635 CA ILE 210 0.0084 15.9740 13.3000
1643 CA TYR 211 0.0076 15.7426 15.1300
1655 CA HIS 212 0.0109 16.6854 13.9800
1665 CA ASN 213 0.0128 17.2110 22.6000
1673 CA ASP 214 0.0253 20.7829 24.0400
1681 CA ALA 215 0.0267 21.1710 21.0900
1686 CA LYS 216 0.0164 18.2347 19.5600
1695 CA THR 217 0.0145 17.6890 18.6400
1702 CA PHE 218 0.0094 16.2351 16.9600
1713 CA LEU 219 0.0082 15.9148 15.4600
1721 CA VAL 220 0.0065 15.4152 15.3300
1728 CA TRP 221 0.0068 15.5142 11.6900
1742 CA VAL 222 0.0062 15.3447 11.7000
1749 CA ASN 223 0.0068 15.5187 12.4000
1757 CA GLU 224 0.0080 15.8392 12.7900
1766 CA GLU 225 0.0071 15.6045 19.0800
1775 CA ASP 226 0.0059 15.2476 14.7400
1783 CA HIS 227 0.0055 15.1274 12.8600
1793 CA LEU 228 0.0052 15.0425 11.9800
1801 CA ARG 229 0.0060 15.2923 11.9500
1812 CA ILE 230 0.0066 15.4590 15.2400
1820 CA ILE 231 0.0076 15.7429 15.1300
1828 CA SER 232 0.0096 16.3102 18.0500
1834 CA MET 233 0.0119 16.9485 16.8400
1842 CA GLN 234 0.0245 20.5454 18.6700
1851 CA LYS 235 0.0399 24.9485 21.8800
1860 CA GLY 236 0.0253 20.7719 19.4100
1864 CA GLY 237 0.0179 18.6652 18.2100
1868 CA ASP 238 0.0161 18.1484 19.8200
1876 CA LEU 239 0.0107 16.6257 20.2900
1884 CA LYS 240 0.0129 17.2427 20.7600
1893 CA THR 241 0.0153 17.9210 22.8100
1900 CA ILE 242 0.0102 16.4861 18.0100
1908 CA PHE 243 0.0087 16.0552 15.7300
1919 CA GLN 244 0.0127 17.1793 21.5900
1928 CA ARG 245 0.0119 16.9622 23.8800
1939 CA LEU 246 0.0092 16.1826 19.4400
1947 CA VAL 247 0.0116 16.8819 24.0800
1954 CA ASN 248 0.0145 17.6893 22.3200
1962 CA ALA 249 0.0113 16.7871 21.7200
1967 CA VAL 250 0.0112 16.7551 20.1800
1974 CA ASN 251 0.0159 18.1006 22.5000
1982 CA THR 252 0.0161 18.1500 17.9500
1989 CA ILE 253 0.0128 17.2124 21.3000
1997 CA GLU 254 0.0160 18.1429 21.1100
2006 CA SER 255 0.0269 21.2246 24.4500
2012 CA LYS 256 0.0243 20.5097 26.7000
2021 CA LEU 257 0.0184 18.8031 28.3500
2029 CA PRO 258 0.0183 18.7964 21.3800
2036 CA PHE 259 0.0128 17.2086 16.9200
2047 CA SER 260 0.0107 16.6334 18.8400
2053 CA ARG 261 0.0100 16.4312 17.5400
2064 CA ASP 262 0.0163 18.2193 17.9500
2072 CA ASP 263 0.0266 21.1599 16.8900
2080 CA ARG 264 0.0170 18.4242 10.4400
2091 CA LEU 265 0.0112 16.7731 12.4200
2099 CA GLY 266 0.0093 16.2207 12.0200
2103 CA PHE 267 0.0083 15.9497 15.1800
2114 CA LEU 268 0.0066 15.4569 11.6800
2122 CA THR 269 0.0065 15.4112 13.1800
2129 CA PHE 270 0.0062 15.3267 14.2000
2140 CA CYS 271 0.0075 15.7207 14.8700
2146 CA PRO 272 0.0079 15.8312 14.8200
2153 CA THR 273 0.0109 16.6626 14.9300
2160 CA ASN 274 0.0084 15.9537 10.8900
2168 CA LEU 275 0.0078 15.7880 14.3900
2176 CA GLY 276 0.0088 16.0778 12.9900
2180 CA THR 277 0.0084 15.9715 11.2800
2187 CA THR 278 0.0076 15.7501 13.6000
2194 CA ILE 279 0.0074 15.6722 14.3400
2202 CA ARG 280 0.0103 16.5108 18.3800
2213 CA ALA 281 0.0080 15.8455 19.6600
2218 CA SER 282 0.0126 17.1629 19.7500
2224 CA VAL 283 0.0142 17.6056 19.3400
2231 CA HIS 284 0.0262 21.0277 24.4400
2241 CA ILE 285 0.0268 21.2210 22.1000
2249 CA ALA 286 0.0437 26.0292 29.4900
2254 CA LEU 287 0.0448 26.3378 33.1000
2262 CA PRO 288 0.0793 36.1669 37.5300
2269 CA LYS 289 0.0836 37.3948 34.9900
2278 CA LEU 290 0.0658 32.3278 38.7900
2286 CA ALA 291 0.0879 38.6164 42.0400
2291 CA LYS 292 0.1644 60.4436 53.7600
2296 CA ASP 293 0.1392 53.2516 61.7000
2301 CA LYS 294 0.1179 47.1854 64.3200
2306 CA LYS 295 0.1538 57.4096 71.5600
2311 CA GLN 296 0.0892 38.9968 67.8900
2316 CA LEU 297 0.0609 30.9289 56.7700
2321 CA GLU 298 0.0708 33.7664 51.7900
2330 CA ALA 299 0.0751 34.9758 53.1000
2335 CA ILE 300 0.0380 24.4038 53.5400
2343 CA ALA 301 0.0339 23.2363 41.5600
2348 CA ALA 302 0.0515 28.2468 42.5300
2353 CA LYS 303 0.0516 28.2675 41.4200
2362 CA PHE 304 0.0227 20.0511 37.3600
2373 CA ASN 305 0.0255 20.8490 31.0400
2381 CA LEU 306 0.0199 19.2525 29.0600
2389 CA GLN 307 0.0276 21.4415 30.2200
2398 CA VAL 308 0.0395 24.8277 33.0700
2405 CA ARG 309 0.0539 28.9436 39.8500
2410 CA GLY 320 0.3020 99.6693 51.2100
2414 CA GLY 321 0.1081 44.3836 61.0500
2418 CA VAL 322 0.0560 29.5223 38.0200
2425 CA TYR 323 0.0445 26.2528 36.4100
2437 CA ASP 324 0.0293 21.9315 31.7200
2445 CA ILE 325 0.0201 19.2920 24.7900
2453 CA SER 326 0.0144 17.6692 21.9800
2459 CA ASN 327 0.0120 16.9816 24.4400
2467 CA LYS 328 0.0173 18.5053 24.5000
2476 CA ARG 329 0.0151 17.8867 16.5300
2487 CA ARG 330 0.0100 16.4303 19.7800
2498 CA MET 331 0.0105 16.5598 15.9400
2506 CA GLY 332 0.0148 17.7981 16.4700
2510 CA LEU 333 0.0128 17.2186 15.5200
2518 CA THR 334 0.0119 16.9483 14.2800
2525 CA GLU 335 0.0100 16.4153 17.8400
2534 CA TYR 336 0.0115 16.8344 17.9500
2546 CA GLN 337 0.0127 17.1802 18.2300
2555 CA ALA 338 0.0096 16.3063 17.6300
2560 CA VAL 339 0.0078 15.8069 19.1000
2567 CA LYS 340 0.0112 16.7550 17.9700
2576 CA GLU 341 0.0115 16.8400 20.3700
2585 CA MET 342 0.0095 16.2678 17.5400
2593 CA GLN 343 0.0095 16.2810 17.8200
2602 CA ASP 344 0.0152 17.9012 18.2400
2610 CA GLY 345 0.0160 18.1189 17.7100
2614 CA ILE 346 0.0140 17.5530 19.8000
2622 CA LEU 347 0.0179 18.6626 16.4000
2630 CA GLU 348 0.0278 21.4993 22.0800
2639 CA MET 349 0.0263 21.0673 20.6300
2647 CA ILE 350 0.0299 22.0985 22.8000
2655 CA LYS 351 0.0461 26.7163 24.3900
2664 CA MET 352 0.0522 28.4551 28.3300
2672 CA GLU 353 0.0514 28.2136 25.5500
2681 CA GLU 354 0.0752 35.0154 29.6000
2690 CA ALA 355 0.1078 44.2975 39.3600
2695 CA ALA 356 0.1323 51.2844 44.0100
2700 CA PRO 357 0.2862 95.1476 50.0200

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.