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

* TRANSFERASE/RNA 05-DEC-14 4RWN *

B-factor analysis for ID 22091916134154503

Overall B-factor prediction

Correlation= 0.792 for 350 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 0.0674 52.7515 51.5900
10 CA GLU 2 0.0481 44.1078 39.7000
19 CA LEU 3 0.0203 31.5727 32.0700
27 CA ARG 4 0.0247 33.5848 34.9100
38 CA HIS 5 0.0350 38.2148 38.2300
48 CA THR 6 0.0247 33.5879 29.8500
55 CA PRO 7 0.0241 33.3031 29.7300
62 CA ALA 8 0.0196 31.2681 32.0900
67 CA ARG 9 0.0390 40.0119 28.6800
78 CA ASP 10 0.0293 35.6356 25.2200
86 CA LEU 11 0.0143 28.8919 25.5300
94 CA ASP 12 0.0178 30.4657 30.9000
102 CA LYS 13 0.0313 36.5519 26.8800
111 CA PHE 14 0.0208 31.8168 26.9100
122 CA ILE 15 0.0147 29.0916 25.4300
130 CA GLU 16 0.0282 35.1383 29.5700
139 CA ASP 17 0.0347 38.0549 27.1900
147 CA HIS 18 0.0255 33.9454 26.4300
157 CA LEU 19 0.0156 29.4686 27.7800
165 CA LEU 20 0.0194 31.1731 25.8600
173 CA PRO 21 0.0255 33.9225 27.1300
180 CA ASN 22 0.0385 39.7651 32.0000
188 CA THR 23 0.0657 51.9910 38.1500
195 CA CYS 24 0.0551 47.2198 36.3800
201 CA PHE 25 0.0275 34.8388 38.2200
212 CA ARG 26 0.0307 36.2818 42.7800
223 CA THR 27 0.0348 38.0916 37.2800
230 CA GLN 28 0.0264 34.3415 35.5800
239 CA VAL 29 0.0175 30.3370 28.9200
246 CA LYS 30 0.0232 32.9043 28.4700
255 CA GLU 31 0.0237 33.1107 33.0100
264 CA ALA 32 0.0166 29.9439 32.3700
269 CA ILE 33 0.0136 28.5634 38.9800
277 CA ASP 34 0.0209 31.8464 39.8900
285 CA ILE 35 0.0167 29.9604 38.8600
293 CA VAL 36 0.0119 27.7912 33.8200
300 CA CYS 37 0.0152 29.2959 36.1800
306 CA ARG 38 0.0234 32.9916 33.6200
317 CA PHE 39 0.0161 29.7034 31.0300
328 CA LEU 40 0.0134 28.5023 31.7800
336 CA LYS 41 0.0235 33.0323 38.7000
345 CA GLU 42 0.0330 37.3159 39.2600
354 CA ARG 43 0.0290 35.4940 35.9700
365 CA CYS 44 0.0211 31.9612 35.8200
371 CA PHE 45 0.0244 33.4465 52.2900
382 CA GLN 46 0.0426 41.6288 64.3100
391 CA GLY 47 0.0801 58.4892 74.2000
395 CA THR 48 0.0896 62.7514 73.9100
402 CA ALA 49 0.2425 131.5154 54.3000
407 CA ASP 50 0.1382 84.6015 59.3600
415 CA PRO 51 0.0654 51.8876 65.9800
422 CA VAL 52 0.0329 37.2715 59.8400
429 CA ARG 53 0.0252 33.8151 38.7700
440 CA VAL 54 0.0174 30.2908 27.8200
447 CA SER 55 0.0156 29.4795 30.3800
453 CA LYS 56 0.0140 28.7384 30.8600
462 CA VAL 57 0.0090 26.5183 26.5200
469 CA VAL 58 0.0091 26.5578 29.1900
476 CA LYS 59 0.0105 27.2000 18.6500
485 CA GLY 60 0.0108 27.3102 24.9200
489 CA GLY 61 0.0126 28.1136 27.4800
493 CA SER 62 0.0130 28.2911 22.2000
499 CA SER 63 0.0130 28.3134 29.1600
505 CA GLY 64 0.0123 27.9980 23.7000
509 CA LYS 65 0.0107 27.2904 26.1700
518 CA GLY 66 0.0126 28.1199 28.3100
522 CA THR 67 0.0109 27.3514 28.4500
529 CA THR 68 0.0130 28.3073 25.4800
536 CA LEU 69 0.0140 28.7415 23.9900
544 CA ARG 70 0.0197 31.3015 28.0600
555 CA GLY 71 0.0228 32.7328 34.1400
559 CA ARG 72 0.0205 31.6909 28.6900
570 CA SER 73 0.0153 29.3556 27.8500
576 CA ASP 74 0.0142 28.8675 28.7800
584 CA ALA 75 0.0118 27.7728 29.3300
589 CA ASP 76 0.0122 27.9532 30.7000
597 CA LEU 77 0.0082 26.1506 23.9400
605 CA VAL 78 0.0076 25.8815 29.9300
612 CA VAL 79 0.0081 26.0920 25.7100
619 CA PHE 80 0.0083 26.1760 27.8300
630 CA LEU 81 0.0128 28.2182 29.9000
638 CA THR 82 0.0203 31.5947 42.7400
645 CA LYS 83 0.0221 32.4029 42.1800
654 CA LEU 84 0.0160 29.6609 33.8100
662 CA THR 85 0.0201 31.4851 39.3600
669 CA SER 86 0.0168 30.0366 38.4900
675 CA PHE 87 0.0127 28.1875 36.0700
686 CA GLU 88 0.0191 31.0572 35.7700
695 CA ASP 89 0.0186 30.8073 34.4400
703 CA GLN 90 0.0130 28.3135 31.5900
712 CA LEU 91 0.0175 30.3189 33.7900
720 CA ARG 92 0.0254 33.8968 35.9600
731 CA ARG 93 0.0202 31.5377 37.9700
742 CA ARG 94 0.0156 29.4909 38.2100
753 CA GLY 95 0.0242 33.3546 33.7400
757 CA GLU 96 0.0263 34.2722 46.5700
766 CA PHE 97 0.0159 29.6120 35.5900
777 CA ILE 98 0.0167 29.9790 37.9000
785 CA GLN 99 0.0259 34.1142 46.9000
794 CA GLU 100 0.0223 32.4688 46.9200
803 CA ILE 101 0.0156 29.4703 42.5400
811 CA ARG 102 0.0204 31.6494 41.0100
822 CA ARG 103 0.0293 35.6556 41.0000
833 CA GLN 104 0.0240 33.2378 36.4500
842 CA LEU 105 0.0205 31.7009 40.8600
850 CA GLU 106 0.0321 36.9171 49.1400
859 CA ALA 107 0.0408 40.7968 39.9900
864 CA CYS 108 0.0341 37.8057 45.5500
870 CA GLN 109 0.0395 40.2402 53.0200
879 CA ARG 110 0.0641 51.2941 55.0700
890 CA GLU 111 0.0729 55.2528 41.6400
899 CA GLN 112 0.0779 57.5082 50.4700
908 CA LYS 113 0.0459 43.1119 47.9900
917 CA PHE 114 0.0343 37.8881 42.1700
928 CA LYS 115 0.0338 37.6707 46.2300
937 CA VAL 116 0.0281 35.1007 40.3300
944 CA THR 117 0.0350 38.2064 49.8900
951 CA PHE 118 0.0356 38.4681 47.7600
962 CA GLU 119 0.0587 48.8795 69.6200
971 CA VAL 120 0.1118 72.7431 98.6500
978 CA GLN 121 0.1234 77.9418 106.9400
987 CA ALA 122 0.2228 122.6504 122.2800
992 CA PRO 123 0.2247 123.4876 123.7800
999 CA ARG 124 0.1879 106.9427 108.6700
1010 CA TRP 125 0.1268 79.4930 103.6500
1024 CA GLY 126 0.1759 101.5778 93.2200
1028 CA ASN 127 0.0374 39.2848 65.8700
1036 CA PRO 128 0.0323 36.9723 62.0200
1043 CA ARG 129 0.0160 29.6450 41.7800
1054 CA ALA 130 0.0176 30.3769 42.7500
1059 CA LEU 131 0.0171 30.1355 34.8600
1067 CA SER 132 0.0204 31.6580 34.5200
1073 CA PHE 133 0.0212 31.9850 40.5000
1084 CA VAL 134 0.0232 32.9117 33.0700
1091 CA LEU 135 0.0213 32.0415 38.0300
1099 CA SER 136 0.0291 35.5693 43.3200
1105 CA SER 137 0.0362 38.7430 44.3100
1111 CA PRO 138 0.0730 55.2756 60.2500
1118 CA GLN 139 0.0613 50.0149 62.1100
1127 CA LEU 140 0.0378 39.4800 56.9200
1135 CA GLN 141 0.0574 48.2802 56.5000
1144 CA GLN 142 0.0444 42.4462 53.2400
1153 CA GLU 143 0.0293 35.6302 39.1400
1162 CA VAL 144 0.0204 31.6463 29.6700
1169 CA GLU 145 0.0163 29.8086 36.7600
1178 CA PHE 146 0.0133 28.4286 28.8300
1189 CA ASP 147 0.0136 28.5835 30.9000
1197 CA VAL 148 0.0099 26.9325 30.6000
1204 CA LEU 149 0.0098 26.8478 32.7300
1212 CA PRO 150 0.0089 26.4758 33.8100
1219 CA ALA 151 0.0087 26.3826 31.0600
1224 CA PHE 152 0.0093 26.6268 34.0900
1235 CA ASP 153 0.0105 27.1837 30.3800
1243 CA ALA 154 0.0105 27.1752 27.3600
1248 CA LEU 155 0.0125 28.0757 26.8400
1256 CA GLY 156 0.0183 30.6872 34.0000
1260 CA GLN 157 0.0546 47.0338 40.5100
1269 CA TRP 158 0.0280 35.0344 45.3500
1283 CA THR 159 0.0455 42.9305 55.6800
1290 CA PRO 160 0.0437 42.1206 62.1100
1297 CA GLY 161 0.0570 48.1163 56.9800
1301 CA TYR 162 0.0395 40.2362 39.3000
1313 CA LYS 163 0.0186 30.8256 29.5100
1322 CA PRO 164 0.0167 29.9735 31.0000
1329 CA ASN 165 0.0258 34.0483 25.8700
1337 CA PRO 166 0.0171 30.1599 30.1100
1344 CA GLU 167 0.0226 32.6240 30.8000
1353 CA ILE 168 0.0149 29.1441 29.7500
1361 CA TYR 169 0.0100 26.9694 27.9800
1373 CA VAL 170 0.0151 29.2439 32.6900
1380 CA GLN 171 0.0154 29.4010 30.3400
1389 CA LEU 172 0.0110 27.4226 26.7400
1397 CA ILE 173 0.0146 29.0265 24.5600
1405 CA LYS 174 0.0265 34.3645 29.0700
1414 CA GLU 175 0.0192 31.1128 34.4400
1423 CA CYS 176 0.0197 31.3299 35.0700
1429 CA LYS 177 0.0442 42.3391 41.9300
1438 CA SER 178 0.0501 44.9784 34.8400
1444 CA ARG 179 0.0412 41.0059 35.6200
1455 CA GLY 180 0.0494 44.6582 36.7400
1459 CA LYS 181 0.0211 31.9638 47.1900
1468 CA GLU 182 0.0162 29.7490 40.4900
1477 CA GLY 183 0.0148 29.1003 34.9200
1481 CA GLU 184 0.0143 28.9133 36.9300
1490 CA PHE 185 0.0092 26.5984 30.4000
1501 CA SER 186 0.0089 26.4800 26.3700
1507 CA THR 187 0.0082 26.1622 28.0300
1514 CA CYS 188 0.0072 25.7145 27.2100
1520 CA PHE 189 0.0060 25.1399 25.1500
1531 CA THR 190 0.0072 25.7024 28.0100
1538 CA GLU 191 0.0082 26.1310 23.4400
1547 CA LEU 192 0.0079 26.0040 19.8900
1555 CA GLN 193 0.0077 25.9458 24.1600
1564 CA ARG 194 0.0087 26.3765 24.7500
1565 CA ARG 194 0.0087 26.3770 24.7100
1583 CA ASP 195 0.0101 27.0258 27.8800
1591 CA PHE 196 0.0085 26.3019 25.8500
1602 CA LEU 197 0.0088 26.4166 26.7600
1610 CA ARG 198 0.0114 27.5749 26.3500
1621 CA ASN 199 0.0205 31.6585 29.8600
1629 CA ARG 200 0.0151 29.2452 24.5000
1640 CA PRO 201 0.0200 31.4760 23.0700
1647 CA THR 202 0.0215 32.1374 22.3600
1654 CA LYS 203 0.0146 29.0407 25.0800
1663 CA LEU 204 0.0100 26.9480 20.1100
1671 CA LYS 205 0.0091 26.5750 21.2400
1680 CA SER 206 0.0096 26.7658 24.2700
1686 CA LEU 207 0.0062 25.2636 20.1500
1694 CA ILE 208 0.0065 25.3911 22.4100
1702 CA ARG 209 0.0083 26.2038 25.3000
1713 CA LEU 210 0.0073 25.7330 19.9500
1721 CA VAL 211 0.0066 25.4215 25.0500
1728 CA LYS 212 0.0087 26.3906 25.6000
1737 CA HIS 213 0.0124 28.0393 20.4900
1747 CA TRP 214 0.0105 27.1722 17.7600
1761 CA TYR 215 0.0137 28.6173 22.9700
1773 CA GLN 216 0.0197 31.3041 25.3800
1782 CA THR 217 0.0235 33.0354 31.5100
1789 CA CYS 218 0.0243 33.3752 30.8600
1795 CA LYS 219 0.0379 39.5160 40.0900
1804 CA LYS 220 0.0576 48.3597 48.9800
1813 CA THR 221 0.0569 48.0593 41.8400
1820 CA HIS 222 0.0505 45.1871 43.8300
1830 CA GLY 223 0.0696 53.7519 41.6600
1834 CA ASN 224 0.0742 55.8282 43.4300
1842 CA LYS 225 0.0507 45.2402 39.8700
1851 CA LEU 226 0.0310 36.4110 28.4500
1859 CA PRO 227 0.0198 31.3543 20.7900
1866 CA PRO 228 0.0189 30.9612 24.5100
1873 CA GLN 229 0.0118 27.7599 29.3700
1882 CA TYR 230 0.0093 26.6243 23.1600
1894 CA ALA 231 0.0092 26.6047 23.6500
1899 CA LEU 232 0.0072 25.6963 24.0300
1907 CA GLU 233 0.0063 25.2990 23.6600
1916 CA LEU 234 0.0059 25.1169 18.5700
1924 CA LEU 235 0.0060 25.1684 22.5900
1932 CA THR 236 0.0052 24.7892 24.6200
1939 CA VAL 237 0.0073 25.7490 22.6500
1946 CA TYR 238 0.0073 25.7415 27.2300
1958 CA ALA 239 0.0092 26.5933 24.4100
1963 CA TRP 240 0.0095 26.7383 27.3000
1977 CA GLU 241 0.0139 28.7270 24.1800
1986 CA GLN 242 0.0173 30.2277 28.2400
1995 CA GLY 243 0.0183 30.6750 31.0700
1999 CA SER 244 0.0200 31.4582 31.1000
2005 CA ARG 245 0.0264 34.3225 28.6900
2016 CA LYS 246 0.0368 39.0131 31.4300
2025 CA THR 247 0.0367 38.9494 34.6000
2032 CA ASP 248 0.0450 42.7015 35.5900
2040 CA PHE 249 0.0202 31.5368 27.4200
2051 CA SER 250 0.0181 30.5977 24.9700
2057 CA THR 251 0.0107 27.2593 26.2000
2064 CA ALA 252 0.0107 27.2679 23.8300
2069 CA GLN 253 0.0127 28.1563 23.3700
2078 CA GLY 254 0.0091 26.5470 23.6700
2082 CA PHE 255 0.0072 25.7072 18.5400
2093 CA GLN 256 0.0095 26.7223 23.1900
2102 CA THR 257 0.0094 26.7011 25.6500
2109 CA VAL 258 0.0075 25.8494 24.0400
2116 CA LEU 259 0.0103 27.0873 27.8500
2124 CA GLU 260 0.0134 28.4792 26.7800
2133 CA LEU 261 0.0108 27.3248 23.8500
2141 CA VAL 262 0.0121 27.9241 25.6500
2148 CA LEU 263 0.0184 30.7357 28.1700
2156 CA LYS 264 0.0208 31.8038 26.0200
2165 CA HIS 265 0.0174 30.2703 32.8800
2175 CA GLN 266 0.0260 34.1541 35.6000
2184 CA LYS 267 0.0336 37.5767 35.0000
2193 CA LEU 268 0.0175 30.3504 25.8900
2201 CA CYS 269 0.0122 27.9568 29.6400
2207 CA ILE 270 0.0097 26.8414 24.0900
2215 CA PHE 271 0.0090 26.5246 28.2300
2226 CA TRP 272 0.0084 26.2324 26.6600
2240 CA GLU 273 0.0117 27.7444 30.6400
2249 CA ALA 274 0.0122 27.9693 23.7500
2254 CA TYR 275 0.0092 26.5838 28.5400
2266 CA TYR 276 0.0096 26.7887 29.0300
2278 CA ASP 277 0.0184 30.7449 36.1700
2286 CA PHE 278 0.0229 32.7672 38.3100
2297 CA THR 279 0.0442 42.3600 47.1700
2304 CA ASN 280 0.0332 37.3879 35.5300
2312 CA PRO 281 0.0397 40.2969 41.5600
2319 CA VAL 282 0.0286 35.3250 35.5400
2326 CA VAL 283 0.0152 29.3131 24.1400
2333 CA GLY 284 0.0196 31.2637 31.4900
2337 CA ARG 285 0.0280 35.0315 36.4500
2348 CA CYS 286 0.0186 30.8304 31.5500
2354 CA MET 287 0.0142 28.8649 29.1800
2362 CA LEU 288 0.0219 32.3279 33.9000
2370 CA GLN 289 0.0226 32.6284 34.9100
2379 CA GLN 290 0.0154 29.3971 32.1000
2388 CA LEU 291 0.0177 30.4185 30.4100
2396 CA LYS 292 0.0335 37.5129 33.9800
2405 CA LYS 293 0.0236 33.0909 29.2900
2414 CA PRO 294 0.0304 36.1188 28.8100
2421 CA ARG 295 0.0208 31.8156 26.2700
2432 CA PRO 296 0.0164 29.8158 25.3300
2439 CA VAL 297 0.0121 27.8846 26.9000
2446 CA ILE 298 0.0096 26.7662 22.7500
2454 CA LEU 299 0.0081 26.1135 25.6500
2462 CA ASP 300 0.0075 25.8362 26.6400
2470 CA PRO 301 0.0069 25.5483 20.1200
2477 CA ALA 302 0.0063 25.2982 24.8500
2482 CA ASP 303 0.0069 25.5714 25.0500
2490 CA PRO 304 0.0076 25.8740 23.9700
2497 CA THR 305 0.0090 26.5101 25.0900
2504 CA GLY 306 0.0101 26.9958 25.2200
2508 CA ASN 307 0.0118 27.7847 30.7300
2516 CA VAL 308 0.0117 27.7189 27.0300
2523 CA GLY 309 0.0140 28.7675 30.0600
2527 CA GLY 310 0.0248 33.6337 32.3100
2531 CA GLY 311 0.0351 38.2510 34.6200
2535 CA ASP 312 0.0375 39.3226 31.1900
2543 CA THR 313 0.0389 39.9631 29.4800
2550 CA HIS 314 0.0508 45.2980 33.4600
2560 CA SER 315 0.0308 36.3265 33.1700
2566 CA TRP 316 0.0220 32.3440 28.9300
2580 CA GLN 317 0.0344 37.9380 27.0000
2589 CA ARG 318 0.0329 37.2776 30.1400
2600 CA LEU 319 0.0198 31.3856 30.1300
2608 CA ALA 320 0.0204 31.6460 26.2700
2613 CA GLN 321 0.0297 35.8123 37.0300
2622 CA GLU 322 0.0232 32.8757 32.9400
2631 CA ALA 323 0.0165 29.9008 33.8600
2636 CA ARG 324 0.0279 35.0120 34.3400
2647 CA VAL 325 0.0273 34.7208 33.7100
2654 CA TRP 326 0.0188 30.9206 26.9100
2668 CA LEU 327 0.0195 31.2275 34.5300
2676 CA GLY 328 0.0277 34.9232 33.4800
2680 CA TYR 329 0.0253 33.8305 28.9800
2692 CA PRO 330 0.0241 33.3123 32.0400
2699 CA CYS 331 0.0151 29.2484 29.0600
2705 CA CYS 332 0.0156 29.4843 29.2200
2711 CA LYS 333 0.0295 35.7098 36.8600
2720 CA ASN 334 0.0436 42.0797 26.9000
2728 CA LEU 335 0.1310 81.3532 36.4600
2736 CA ASP 336 0.1621 95.3421 43.7000
2744 CA GLY 337 0.0932 64.3940 38.5600
2748 CA SER 338 0.0785 57.7688 30.9400
2754 CA LEU 339 0.0335 37.5476 32.4100
2762 CA VAL 340 0.0295 35.7469 31.3300
2769 CA GLY 341 0.0248 33.6037 26.7100
2773 CA ALA 342 0.0179 30.5153 31.3000
2778 CA TRP 343 0.0226 32.6041 36.2500
2792 CA THR 344 0.0435 42.0258 49.8600
2799 CA MET 345 0.0317 36.7117 42.7000
2807 CA LEU 346 0.0462 43.2415 60.9200
2815 CA GLN 347 0.1111 72.4405 74.1500
2824 CA LYS 348 0.0616 50.1659 72.2700
2833 CA ILE 349 0.2484 134.1666 86.1900

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.