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

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

B-factor analysis for ID 22121617313095401

Overall B-factor prediction

Correlation= 0.768 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 0.0552 51.2751 51.5900
10 CA GLU 2 0.0408 44.1781 39.7000
19 CA LEU 3 0.0169 32.3994 32.0700
27 CA ARG 4 0.0209 34.3998 34.9100
38 CA HIS 5 0.0297 38.7314 38.2300
48 CA THR 6 0.0207 34.2868 29.8500
55 CA PRO 7 0.0210 34.4532 29.7300
62 CA ALA 8 0.0168 32.3614 32.0900
67 CA ARG 9 0.0314 39.5486 28.6800
78 CA ASP 10 0.0215 34.6589 25.2200
86 CA LEU 11 0.0092 28.6232 25.5300
94 CA ASP 12 0.0092 28.6461 30.9000
102 CA LYS 13 0.0118 29.9004 26.8800
111 CA PHE 14 0.0110 29.5080 26.9100
122 CA ILE 15 0.0079 27.9785 25.4300
130 CA GLU 16 0.0090 28.5086 29.5700
139 CA ASP 17 0.0136 30.7984 27.1900
147 CA HIS 18 0.0130 30.5062 26.4300
157 CA LEU 19 0.0081 28.0810 27.7800
165 CA LEU 20 0.0078 27.9429 25.8600
173 CA PRO 21 0.0096 28.8452 27.1300
180 CA ASN 22 0.0133 30.6669 32.0000
188 CA THR 23 0.0217 34.7558 38.1500
195 CA CYS 24 0.0219 34.8617 36.3800
201 CA PHE 25 0.0130 30.4969 38.2200
212 CA ARG 26 0.0126 30.3098 42.7800
223 CA THR 27 0.0146 31.2699 37.2800
230 CA GLN 28 0.0137 30.8584 35.5800
239 CA VAL 29 0.0099 28.9607 28.9200
246 CA LYS 30 0.0094 28.7454 28.4700
255 CA GLU 31 0.0121 30.0562 33.0100
264 CA ALA 32 0.0099 28.9923 32.3700
269 CA ILE 33 0.0076 27.8188 38.9800
277 CA ASP 34 0.0079 27.9620 39.8900
285 CA ILE 35 0.0096 28.8251 38.8600
293 CA VAL 36 0.0078 27.9333 33.8200
300 CA CYS 37 0.0068 27.4406 36.1800
306 CA ARG 38 0.0086 28.3389 33.6200
317 CA PHE 39 0.0097 28.8539 31.0300
328 CA LEU 40 0.0079 27.9797 31.7800
336 CA LYS 41 0.0087 28.3755 38.7000
345 CA GLU 42 0.0119 29.9692 39.2600
354 CA ARG 43 0.0174 32.6453 35.9700
365 CA CYS 44 0.0138 30.8812 35.8200
371 CA PHE 45 0.0154 31.6961 52.2900
382 CA GLN 46 0.0231 35.4724 64.3100
391 CA GLY 47 0.0590 53.1414 74.2000
395 CA THR 48 0.0696 58.3558 73.9100
402 CA ALA 49 0.2085 126.6935 54.3000
407 CA ASP 50 0.1068 76.6522 59.3600
415 CA PRO 51 0.0397 43.6376 65.9800
422 CA VAL 52 0.0185 33.1924 59.8400
429 CA ARG 53 0.0116 29.8279 38.7700
440 CA VAL 54 0.0081 28.0780 27.8200
447 CA SER 55 0.0074 27.7436 30.3800
453 CA LYS 56 0.0060 27.0528 30.8600
462 CA VAL 57 0.0044 26.2717 26.5200
469 CA VAL 58 0.0046 26.3602 29.1900
476 CA LYS 59 0.0049 26.5246 18.6500
485 CA GLY 60 0.0055 26.8228 24.9200
489 CA GLY 61 0.0061 27.0802 27.4800
493 CA SER 62 0.0060 27.0324 22.2000
499 CA SER 63 0.0059 27.0029 29.1600
505 CA GLY 64 0.0053 26.6900 23.7000
509 CA LYS 65 0.0052 26.6678 26.1700
518 CA GLY 66 0.0054 26.7779 28.3100
522 CA THR 67 0.0054 26.7731 28.4500
529 CA THR 68 0.0066 27.3477 25.4800
536 CA LEU 69 0.0082 28.1189 23.9900
544 CA ARG 70 0.0099 28.9824 28.0600
555 CA GLY 71 0.0129 30.4427 34.1400
559 CA ARG 72 0.0129 30.4451 28.6900
570 CA SER 73 0.0102 29.0978 27.8500
576 CA ASP 74 0.0101 29.0519 28.7800
584 CA ALA 75 0.0081 28.0954 29.3300
589 CA ASP 76 0.0079 27.9636 30.7000
597 CA LEU 77 0.0053 26.7004 23.9400
605 CA VAL 78 0.0049 26.4970 29.9300
612 CA VAL 79 0.0052 26.6431 25.7100
619 CA PHE 80 0.0051 26.5920 27.8300
630 CA LEU 81 0.0084 28.2223 29.9000
638 CA THR 82 0.0116 29.7975 42.7400
645 CA LYS 83 0.0148 31.4012 42.1800
654 CA LEU 84 0.0125 30.2597 33.8100
662 CA THR 85 0.0169 32.4199 39.3600
669 CA SER 86 0.0150 31.4699 38.4900
675 CA PHE 87 0.0119 29.9309 36.0700
686 CA GLU 88 0.0173 32.5995 35.7700
695 CA ASP 89 0.0159 31.9113 34.4400
703 CA GLN 90 0.0113 29.6713 31.5900
712 CA LEU 91 0.0154 31.6661 33.7900
720 CA ARG 92 0.0213 34.6011 35.9600
731 CA ARG 93 0.0167 32.3296 37.9700
742 CA ARG 94 0.0136 30.8089 38.2100
753 CA GLY 95 0.0204 34.1611 33.7400
757 CA GLU 96 0.0213 34.5842 46.5700
766 CA PHE 97 0.0131 30.5485 35.5900
777 CA ILE 98 0.0142 31.0816 37.9000
785 CA GLN 99 0.0201 33.9785 46.9000
794 CA GLU 100 0.0171 32.5372 46.9200
803 CA ILE 101 0.0131 30.5281 42.5400
811 CA ARG 102 0.0168 32.3560 41.0100
822 CA ARG 103 0.0222 35.0018 41.0000
833 CA GLN 104 0.0186 33.2371 36.4500
842 CA LEU 105 0.0173 32.5967 40.8600
850 CA GLU 106 0.0259 36.8527 49.1400
859 CA ALA 107 0.0327 40.2129 39.9900
864 CA CYS 108 0.0286 38.1556 45.5500
870 CA GLN 109 0.0338 40.7544 53.0200
879 CA ARG 110 0.0545 50.8990 55.0700
890 CA GLU 111 0.0637 55.4397 41.6400
899 CA GLN 112 0.0695 58.3018 50.4700
908 CA LYS 113 0.0408 44.1698 47.9900
917 CA PHE 114 0.0299 38.8219 42.1700
928 CA LYS 115 0.0284 38.0525 46.2300
937 CA VAL 116 0.0235 35.6546 40.3300
944 CA THR 117 0.0281 37.9064 49.8900
951 CA PHE 118 0.0281 37.9358 47.7600
962 CA GLU 119 0.0505 48.9570 69.6200
971 CA VAL 120 0.1074 76.9482 98.6500
978 CA GLN 121 0.1297 87.9334 106.9400
987 CA SER 122 0.2205 132.6070 122.2800
993 CA PRO 123 0.2129 128.8604 123.7800
1000 CA ARG 124 0.1522 99.0219 108.6700
1011 CA ARG 125 0.1056 76.0769 103.6500
1022 CA GLU 126 0.1108 78.6482 93.2200
1031 CA ASN 127 0.0339 40.7802 65.8700
1039 CA PRO 128 0.0293 38.5155 62.0200
1046 CA ARG 129 0.0139 30.9259 41.7800
1057 CA ALA 130 0.0152 31.5908 42.7500
1062 CA LEU 131 0.0145 31.2473 34.8600
1070 CA SER 132 0.0170 32.4719 34.5200
1076 CA PHE 133 0.0173 32.6187 40.5000
1087 CA VAL 134 0.0191 33.4887 33.0700
1094 CA LEU 135 0.0178 32.8581 38.0300
1102 CA SER 136 0.0237 35.7450 43.3200
1108 CA SER 137 0.0289 38.3341 44.3100
1114 CA PRO 138 0.0607 53.9748 60.2500
1121 CA GLN 139 0.0484 47.9306 62.1100
1130 CA LEU 140 0.0277 37.7152 56.9200
1138 CA GLN 141 0.0418 44.6505 56.5000
1147 CA GLN 142 0.0315 39.5882 53.2400
1156 CA GLU 143 0.0221 34.9577 39.1400
1165 CA VAL 144 0.0153 31.6305 29.6700
1172 CA GLU 145 0.0127 30.3387 36.7600
1181 CA PHE 146 0.0107 29.3407 28.8300
1192 CA ASP 147 0.0107 29.3890 30.9000
1200 CA VAL 148 0.0083 28.1989 30.6000
1207 CA LEU 149 0.0081 28.1071 32.7300
1215 CA PRO 150 0.0074 27.7468 33.8100
1222 CA ALA 151 0.0070 27.5220 31.0600
1227 CA PHE 152 0.0078 27.9334 34.0900
1238 CA ASP 153 0.0073 27.6733 30.3800
1246 CA ALA 154 0.0082 28.1256 27.3600
1251 CA LEU 155 0.0073 27.6871 26.8400
1259 CA GLY 156 0.0084 28.2413 34.0000
1263 CA GLN 157 0.0118 29.9150 40.5100
1272 CA TRP 158 0.0100 29.0014 45.3500
1286 CA THR 159 0.0196 33.7503 55.6800
1293 CA PRO 160 0.0187 33.3007 62.1100
1300 CA GLY 161 0.0389 43.2228 56.9800
1304 CA TYR 162 0.0311 39.4223 39.3000
1316 CA LYS 163 0.0169 32.3969 29.5100
1325 CA PRO 164 0.0150 31.4969 31.0000
1332 CA ASN 165 0.0247 36.2489 25.8700
1340 CA PRO 166 0.0180 32.9333 30.1100
1347 CA GLU 167 0.0224 35.1063 30.8000
1356 CA ILE 168 0.0150 31.5029 29.7500
1364 CA TYR 169 0.0109 29.4691 27.9800
1376 CA VAL 170 0.0163 32.1000 32.6900
1383 CA GLN 171 0.0160 31.9802 30.3400
1392 CA LEU 172 0.0113 29.6764 26.7400
1400 CA ILE 173 0.0148 31.3986 24.5600
1408 CA LYS 174 0.0245 36.1509 29.0700
1417 CA GLU 175 0.0192 33.5643 34.4400
1426 CA CYS 176 0.0193 33.6214 35.0700
1432 CA LYS 177 0.0427 45.0891 41.9300
1441 CA SER 178 0.0484 47.9171 34.8400
1447 CA ARG 179 0.0398 43.6727 35.6200
1458 CA GLY 180 0.0465 46.9829 36.7400
1462 CA LYS 181 0.0199 33.8802 47.1900
1471 CA GLU 182 0.0151 31.5147 40.4900
1480 CA GLY 183 0.0132 30.6064 34.9200
1484 CA GLU 184 0.0128 30.4083 36.9300
1493 CA PHE 185 0.0083 28.1853 30.4000
1504 CA SER 186 0.0078 27.9509 26.3700
1510 CA THR 187 0.0068 27.4488 28.0300
1517 CA CYS 188 0.0060 27.0724 27.2100
1523 CA PHE 189 0.0048 26.4814 25.1500
1534 CA THR 190 0.0052 26.6547 28.0100
1541 CA GLU 191 0.0053 26.6840 23.4400
1550 CA LEU 192 0.0059 27.0022 19.8900
1558 CA GLN 193 0.0054 26.7511 24.1600
1567 CA ARG 194 0.0055 26.7945 24.7500
1568 CA ARG 194 0.0055 26.7956 24.7100
1586 CA ASP 195 0.0067 27.4082 27.8800
1594 CA PHE 196 0.0060 27.0743 25.8500
1605 CA LEU 197 0.0050 26.5836 26.7600
1613 CA ARG 198 0.0053 26.7012 26.3500
1624 CA ASN 199 0.0070 27.5584 29.8600
1632 CA ARG 200 0.0062 27.1698 24.5000
1643 CA PRO 201 0.0077 27.8841 23.0700
1650 CA THR 202 0.0068 27.4549 22.3600
1657 CA LYS 203 0.0060 27.0290 25.0800
1666 CA LEU 204 0.0055 26.8169 20.1100
1674 CA LYS 205 0.0048 26.4496 21.2400
1683 CA SER 206 0.0047 26.3938 24.2700
1689 CA LEU 207 0.0044 26.2828 20.1500
1697 CA ILE 208 0.0047 26.4236 22.4100
1705 CA ARG 209 0.0053 26.6860 25.3000
1716 CA LEU 210 0.0052 26.6820 19.9500
1724 CA VAL 211 0.0055 26.7820 25.0500
1731 CA LYS 212 0.0066 27.3713 25.6000
1740 CA HIS 213 0.0096 28.8396 20.4900
1750 CA TRP 214 0.0086 28.3371 17.7600
1764 CA TYR 215 0.0110 29.5296 22.9700
1776 CA GLN 216 0.0157 31.8178 25.3800
1785 CA THR 217 0.0193 33.6060 31.5100
1792 CA CYS 218 0.0197 33.7871 30.8600
1798 CA LYS 219 0.0312 39.4728 40.0900
1807 CA LYS 220 0.0478 47.6415 48.9800
1816 CA THR 221 0.0485 47.9839 41.8400
1823 CA HIS 222 0.0428 45.1512 43.8300
1833 CA GLY 223 0.0588 53.0258 41.6600
1837 CA ASN 224 0.0622 54.7132 43.4300
1845 CA LYS 225 0.0433 45.4178 39.8700
1854 CA LEU 226 0.0258 36.7988 28.4500
1862 CA PRO 227 0.0167 32.2974 20.7900
1869 CA PRO 228 0.0156 31.7813 24.5100
1876 CA GLN 229 0.0094 28.7396 29.3700
1885 CA TYR 230 0.0075 27.8011 23.1600
1897 CA ALA 231 0.0081 28.0703 23.6500
1902 CA LEU 232 0.0065 27.3054 24.0300
1910 CA GLU 233 0.0054 26.7364 23.6600
1919 CA LEU 234 0.0054 26.7468 18.5700
1927 CA LEU 235 0.0058 26.9763 22.5900
1935 CA THR 236 0.0052 26.6444 24.6200
1942 CA VAL 237 0.0066 27.3496 22.6500
1949 CA TYR 238 0.0068 27.4657 27.2300
1961 CA ALA 239 0.0082 28.1345 24.4100
1966 CA TRP 240 0.0076 27.8485 27.3000
1980 CA GLU 241 0.0120 30.0281 24.1800
1989 CA GLN 242 0.0150 31.4577 28.2400
1998 CA GLY 243 0.0144 31.1977 31.0700
2002 CA SER 244 0.0149 31.4131 31.1000
2008 CA ARG 245 0.0176 32.7657 28.6900
2019 CA LYS 246 0.0223 35.0711 31.4300
2028 CA THR 247 0.0121 30.0579 34.6000
2035 CA ASP 248 0.0119 29.9427 35.5900
2043 CA PHE 249 0.0103 29.1651 27.4200
2054 CA SER 250 0.0109 29.4764 24.9700
2060 CA THR 251 0.0076 27.8535 26.2000
2067 CA ALA 252 0.0088 28.4074 23.8300
2072 CA GLN 253 0.0106 29.3230 23.3700
2081 CA GLY 254 0.0080 28.0518 23.6700
2085 CA PHE 255 0.0071 27.5885 18.5400
2096 CA GLN 256 0.0092 28.6063 23.1900
2105 CA THR 257 0.0090 28.5494 25.6500
2112 CA VAL 258 0.0074 27.7646 24.0400
2119 CA LEU 259 0.0096 28.8091 27.8500
2127 CA GLU 260 0.0119 29.9712 26.7800
2136 CA LEU 261 0.0099 28.9750 23.8500
2144 CA VAL 262 0.0107 29.3464 25.6500
2151 CA LEU 263 0.0156 31.7747 28.1700
2159 CA LYS 264 0.0177 32.8261 26.0200
2168 CA HIS 265 0.0155 31.7479 32.8800
2178 CA GLN 266 0.0236 35.6948 35.6000
2187 CA LYS 267 0.0302 38.9404 35.0000
2196 CA LEU 268 0.0166 32.2566 25.8900
2204 CA CYS 269 0.0117 29.8580 29.6400
2210 CA ILE 270 0.0095 28.7544 24.0900
2218 CA PHE 271 0.0088 28.4071 28.2300
2229 CA TRP 272 0.0085 28.2818 26.6600
2243 CA GLU 273 0.0121 30.0675 30.6400
2252 CA ALA 274 0.0122 30.1270 23.7500
2257 CA TYR 275 0.0092 28.6439 28.5400
2269 CA TYR 276 0.0103 29.1677 29.0300
2281 CA ASP 277 0.0190 33.4297 36.1700
2289 CA PHE 278 0.0240 35.8964 38.3100
2300 CA THR 279 0.0432 45.3416 47.1700
2307 CA ASN 280 0.0352 41.4210 35.5300
2315 CA PRO 281 0.0414 44.4663 41.5600
2322 CA VAL 282 0.0304 39.0715 35.5400
2329 CA VAL 283 0.0170 32.4607 24.1400
2336 CA GLY 284 0.0215 34.6608 31.4900
2340 CA ARG 285 0.0292 38.4888 36.4500
2351 CA CYS 286 0.0191 33.4800 31.5500
2357 CA MET 287 0.0144 31.1758 29.1800
2365 CA LEU 288 0.0221 34.9695 33.9000
2373 CA GLN 289 0.0226 35.2378 34.9100
2382 CA GLN 290 0.0151 31.5179 32.1000
2391 CA LEU 291 0.0170 32.4794 30.4100
2399 CA LYS 292 0.0319 39.8007 33.9800
2408 CA LYS 293 0.0227 35.2490 29.2900
2417 CA PRO 294 0.0280 37.8757 28.8100
2424 CA ARG 295 0.0194 33.6321 26.2700
2435 CA PRO 296 0.0151 31.5489 25.3300
2442 CA VAL 297 0.0114 29.7068 26.9000
2449 CA ILE 298 0.0091 28.5714 22.7500
2457 CA LEU 299 0.0077 27.8890 25.6500
2465 CA ASP 300 0.0070 27.5273 26.6400
2473 CA PRO 301 0.0063 27.2143 20.1200
2480 CA ALA 302 0.0059 26.9849 24.8500
2485 CA ASP 303 0.0068 27.4213 25.0500
2493 CA PRO 304 0.0076 27.8480 23.9700
2500 CA THR 305 0.0087 28.3701 25.0900
2507 CA GLY 306 0.0093 28.6810 25.2200
2511 CA ASN 307 0.0109 29.4454 30.7300
2519 CA VAL 308 0.0105 29.2482 27.0300
2526 CA GLY 309 0.0126 30.3121 30.0600
2530 CA GLY 310 0.0214 34.6366 32.3100
2534 CA GLY 311 0.0305 39.1043 34.6200
2538 CA ASP 312 0.0332 40.4181 31.1900
2546 CA THR 313 0.0331 40.3846 29.4800
2553 CA HIS 314 0.0427 45.1335 33.4600
2563 CA SER 315 0.0264 37.0955 33.1700
2569 CA TRP 316 0.0191 33.4998 28.9300
2583 CA GLN 317 0.0301 38.9071 27.0000
2592 CA ARG 318 0.0282 37.9836 30.1400
2603 CA LEU 319 0.0170 32.4729 30.1300
2611 CA ALA 320 0.0178 32.8726 26.2700
2616 CA GLN 321 0.0253 36.5577 37.0300
2625 CA GLU 322 0.0198 33.8668 32.9400
2634 CA ALA 323 0.0145 31.2416 33.8600
2639 CA ARG 324 0.0224 35.0985 34.3400
2650 CA VAL 325 0.0227 35.2499 33.7100
2657 CA TRP 326 0.0165 32.2046 26.9100
2671 CA LEU 327 0.0172 32.5668 34.5300
2679 CA GLY 328 0.0242 36.0233 33.4800
2683 CA TYR 329 0.0224 35.1076 28.9800
2695 CA PRO 330 0.0219 34.9007 32.0400
2702 CA CYS 331 0.0138 30.8701 29.0600
2708 CA CYS 332 0.0147 31.3504 29.2200
2714 CA LYS 333 0.0274 37.5929 36.8600
2723 CA ASN 334 0.0406 44.0968 26.9000
2731 CA LEU 335 0.1266 86.3870 36.4600
2739 CA ASP 336 0.1570 101.3649 43.7000
2747 CA GLY 337 0.0878 67.2880 38.5600
2751 CA SER 338 0.0708 58.9614 30.9400
2757 CA LEU 339 0.0302 38.9794 32.4100
2765 CA VAL 340 0.0261 36.9479 31.3300
2772 CA GLY 341 0.0206 34.2397 26.7100
2776 CA ALA 342 0.0158 31.8772 31.3000
2781 CA TRP 343 0.0194 33.6578 36.2500
2795 CA THR 344 0.0369 42.2724 49.8600
2802 CA MET 345 0.0279 37.8524 42.7000
2810 CA LEU 346 0.0409 44.2202 60.9200
2818 CA GLN 347 0.1044 75.4599 74.1500
2827 CA LYS 348 0.0592 53.2343 72.2700
2836 CA ILE 349 0.2447 144.5045 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.