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

* TRANSFERASE 05-DEC-14 4RWQ *

B-factor analysis for ID 2401161742511318419

Overall B-factor prediction

Correlation= 0.561 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 0.0545 126.9309 140.7400
10 CA GLU 2 0.0541 126.5534 165.7200
19 CA LEU 3 0.0228 88.2233 144.4300
27 CA ARG 4 0.0267 92.9963 141.8500
38 CA HIS 5 0.0341 101.9855 153.5100
48 CA THR 6 0.0265 92.6900 131.4200
55 CA PRO 7 0.0257 91.6764 117.7700
62 CA ALA 8 0.0215 86.5408 126.6700
67 CA ARG 9 0.0426 112.3815 141.9500
78 CA ASP 10 0.0335 101.3108 128.8200
86 CA LEU 11 0.0174 81.6228 128.1700
94 CA ASP 12 0.0214 86.4417 110.7900
102 CA LYS 13 0.0364 104.8163 116.6200
111 CA PHE 14 0.0230 88.4652 121.4900
122 CA ILE 15 0.0167 80.6631 119.1900
130 CA GLU 16 0.0358 104.0773 128.8900
139 CA ASP 17 0.0371 105.6739 130.0600
147 CA HIS 18 0.0269 93.2139 141.9200
157 CA LEU 19 0.0173 81.3955 103.1800
165 CA LEU 20 0.0240 89.6961 111.0500
173 CA PRO 21 0.0298 96.7842 104.7100
180 CA ASN 22 0.0318 99.1711 91.3400
188 CA THR 23 0.0570 130.0079 84.1400
195 CA CYS 24 0.0494 120.7187 82.0000
201 CA PHE 25 0.0256 91.5924 79.1500
212 CA ARG 26 0.0285 95.2181 58.1800
223 CA THR 27 0.0370 105.6103 76.0500
230 CA GLN 28 0.0280 94.5517 77.6100
239 CA VAL 29 0.0185 82.9527 66.2900
246 CA LYS 30 0.0254 91.3966 47.2500
255 CA GLU 31 0.0295 96.3349 67.8500
264 CA ALA 32 0.0183 82.7012 55.2000
269 CA ILE 33 0.0143 77.8224 68.7800
277 CA ASP 34 0.0232 88.6683 67.7800
285 CA ILE 35 0.0210 85.9807 59.9000
293 CA VAL 36 0.0139 77.2987 60.0900
300 CA CYS 37 0.0163 80.1826 63.8700
306 CA ARG 38 0.0231 88.5723 81.8100
317 CA PHE 39 0.0184 82.8417 65.0400
328 CA LEU 40 0.0143 77.8311 61.2400
336 CA LYS 41 0.0186 83.0935 61.2400
345 CA GLU 42 0.0258 91.8974 80.1700
354 CA ARG 43 0.0233 88.8353 72.7000
365 CA CYS 44 0.0201 84.8337 75.6300
371 CA PHE 45 0.0297 96.5791 83.9900
382 CA GLN 46 0.0439 114.0254 85.7400
391 CA GLY 47 0.1790 279.3874 134.7100
395 CA THR 48 0.0979 180.0833 99.1900
402 CA ALA 49 0.1510 245.1609 90.9700
407 CA ASP 50 0.0656 140.5253 96.5400
415 CA PRO 51 0.0543 126.6929 84.3700
422 CA VAL 52 0.0270 93.3226 69.7000
429 CA ARG 53 0.0191 83.6199 75.5300
440 CA VAL 54 0.0143 77.7625 66.7300
447 CA SER 55 0.0128 75.8788 72.5800
453 CA LYS 56 0.0122 75.1877 58.7200
462 CA VAL 57 0.0095 71.8597 55.3900
469 CA VAL 58 0.0097 72.1881 45.8400
476 CA LYS 59 0.0110 73.7073 61.9500
485 CA GLY 60 0.0129 76.0879 81.9200
489 CA GLY 61 0.0186 83.0507 74.9300
493 CA SER 62 0.0186 83.0178 86.5200
499 CA SER 63 0.0173 81.4897 119.6400
505 CA GLY 64 0.0167 80.7381 135.6700
509 CA LYS 65 0.0214 86.5019 157.9200
518 CA GLY 66 0.0257 91.7686 167.1800
522 CA THR 67 0.0579 131.0994 201.4200
529 CA THR 68 0.0833 162.2146 234.3100
536 CA LEU 69 0.0327 100.2575 186.7700
544 CA ARG 70 0.0228 88.1211 170.1300
555 CA GLY 71 0.0246 90.3441 186.4600
559 CA ARG 72 0.0185 82.9620 145.7100
570 CA SER 73 0.0165 80.5016 120.2600
576 CA ASP 74 0.0171 81.1903 116.4200
584 CA ALA 75 0.0147 78.2502 75.8500
589 CA ASP 76 0.0136 76.9576 72.5400
597 CA LEU 77 0.0093 71.6192 53.8000
605 CA VAL 78 0.0086 70.7721 64.9300
612 CA VAL 79 0.0081 70.2053 58.9300
619 CA PHE 80 0.0082 70.3321 54.1300
630 CA LEU 81 0.0116 74.5020 55.7600
638 CA THR 82 0.0167 80.6861 58.2600
645 CA LYS 83 0.0306 97.6972 70.0000
654 CA LEU 84 0.0218 86.8989 64.8000
662 CA THR 85 0.0391 108.1867 79.4700
669 CA SER 86 0.0240 89.6772 74.0900
675 CA PHE 87 0.0146 78.1090 51.6700
686 CA GLU 88 0.0211 86.0956 79.6200
695 CA ASP 89 0.0204 85.1875 71.9600
703 CA GLN 90 0.0147 78.2984 62.1500
712 CA LEU 91 0.0229 88.3050 70.5300
720 CA ARG 92 0.0303 97.4074 75.9000
731 CA ARG 93 0.0228 88.1271 71.5100
742 CA ARG 94 0.0205 85.3351 71.7700
753 CA GLY 95 0.0298 96.7384 71.7500
757 CA GLU 96 0.0268 93.1050 69.7000
766 CA PHE 97 0.0150 78.5865 53.0900
777 CA ILE 98 0.0175 81.6543 67.8500
785 CA GLN 99 0.0259 92.0354 93.2100
794 CA GLU 100 0.0196 84.2073 85.5300
803 CA ILE 101 0.0134 76.6740 68.0000
811 CA ARG 102 0.0155 79.2013 66.2400
822 CA ARG 103 0.0235 89.0660 71.8900
833 CA GLN 104 0.0175 81.7485 77.9500
842 CA LEU 105 0.0139 77.3413 86.1100
850 CA GLU 106 0.0215 86.5557 83.4300
859 CA ALA 107 0.0261 92.2426 79.9300
864 CA CYS 108 0.0201 84.8506 83.1500
870 CA GLN 109 0.0235 89.0234 79.5100
879 CA ARG 110 0.0372 105.8607 93.5700
890 CA GLU 111 0.0391 108.1792 97.6000
899 CA GLN 112 0.0331 100.7914 93.7600
908 CA LYS 113 0.0656 140.5616 106.9800
917 CA PHE 114 0.0329 100.6001 99.7100
928 CA LYS 115 0.0368 105.2739 97.7400
937 CA VAL 116 0.0248 90.6360 108.4700
944 CA THR 117 0.0222 87.4696 93.6100
951 CA PHE 118 0.0167 80.7488 98.1500
962 CA GLU 119 0.0189 83.4049 105.1900
971 CA VAL 120 0.0186 83.0413 88.1200
978 CA GLN 121 0.0284 95.0816 93.1300
987 CA SER 122 0.0487 119.9336 117.9900
993 CA PRO 123 0.0637 138.2120 124.9400
1000 CA ARG 124 0.0604 134.2576 150.4500
1011 CA ARG 125 0.1760 275.7527 154.5000
1022 CA GLU 126 0.2685 388.9576 209.6300
1031 CA ASN 127 0.1686 266.6347 243.2200
1039 CA PRO 128 0.2150 323.4826 274.6100
1046 CA ARG 129 0.0615 135.5102 201.1500
1057 CA ALA 130 0.0441 114.2655 142.8200
1062 CA LEU 131 0.0192 83.7443 101.3800
1070 CA SER 132 0.0157 79.4534 77.0300
1076 CA PHE 133 0.0122 75.1900 72.7600
1087 CA VAL 134 0.0135 76.8181 91.7300
1094 CA LEU 135 0.0140 77.4132 83.4700
1102 CA SER 136 0.0190 83.5462 99.2700
1108 CA SER 137 0.0307 97.8038 99.1900
1114 CA PRO 138 0.0600 133.7038 126.5500
1121 CA GLN 139 0.0737 150.5350 138.8100
1130 CA LEU 140 0.0552 127.8414 125.2600
1138 CA GLN 141 0.0535 125.7973 137.6100
1147 CA GLN 142 0.0258 91.8113 110.3000
1156 CA GLU 143 0.0168 80.8154 105.1400
1165 CA VAL 144 0.0138 77.1434 82.2300
1172 CA GLU 145 0.0127 75.7803 77.0900
1181 CA PHE 146 0.0112 74.0228 63.4300
1192 CA ASP 147 0.0137 77.0573 62.2900
1200 CA VAL 148 0.0106 73.2445 58.1400
1207 CA LEU 149 0.0115 74.3286 51.4100
1215 CA PRO 150 0.0102 72.7505 59.4400
1222 CA ALA 151 0.0095 71.9436 51.9900
1227 CA PHE 152 0.0099 72.4138 64.3800
1238 CA ASP 153 0.0111 73.8611 58.7400
1246 CA ALA 154 0.0109 73.6309 45.8100
1251 CA LEU 155 0.0139 77.3110 67.0600
1259 CA GLY 156 0.0195 84.1877 90.2500
1263 CA GLN 157 0.0672 142.5796 77.6300
1272 CA TRP 158 0.0347 102.7733 67.2200
1286 CA THR 159 0.0564 129.3439 73.8100
1293 CA PRO 160 0.0568 129.8301 78.0700
1300 CA GLY 161 0.1073 191.5855 84.8700
1304 CA TYR 162 0.0614 135.4326 96.6100
1316 CA LYS 163 0.0236 89.1152 61.2500
1325 CA PRO 164 0.0194 83.9896 44.3400
1332 CA ASN 165 0.0272 93.5066 57.3800
1340 CA PRO 166 0.0200 84.7657 51.6600
1347 CA GLU 167 0.0282 94.8123 63.6200
1356 CA ILE 168 0.0167 80.6592 57.7900
1364 CA TYR 169 0.0110 73.7620 52.8100
1376 CA VAL 170 0.0168 80.8016 47.7900
1383 CA GLN 171 0.0180 82.2602 62.0500
1392 CA LEU 172 0.0123 75.2874 58.8100
1400 CA ILE 173 0.0159 79.7053 47.3900
1408 CA LYS 174 0.0260 92.0398 46.2300
1417 CA GLU 175 0.0215 86.5973 71.6800
1426 CA CYS 176 0.0217 86.8675 92.3600
1432 CA LYS 177 0.0451 115.4619 78.2100
1441 CA SER 178 0.0619 136.0871 98.0800
1447 CA ARG 179 0.0528 124.8937 87.9700
1458 CA GLY 180 0.0530 125.1252 105.8400
1462 CA LYS 181 0.0324 99.9861 134.7300
1471 CA GLU 182 0.0227 87.9979 94.0000
1480 CA GLY 183 0.0163 80.2336 71.8000
1484 CA GLU 184 0.0195 84.1955 73.6000
1493 CA PHE 185 0.0109 73.5823 48.0100
1504 CA SER 186 0.0098 72.2116 53.1100
1510 CA THR 187 0.0096 71.9741 52.8000
1517 CA CYS 188 0.0081 70.1490 58.6000
1523 CA PHE 189 0.0065 68.2839 58.7600
1534 CA THR 190 0.0080 70.0510 59.0700
1541 CA GLU 191 0.0095 71.8993 60.9300
1550 CA LEU 192 0.0091 71.4676 48.7300
1558 CA GLN 193 0.0090 71.2576 41.9900
1567 CA ARG 194 0.0112 73.9669 55.4600
1578 CA ASP 195 0.0150 78.6524 42.5000
1586 CA PHE 196 0.0111 73.9094 44.6700
1597 CA LEU 197 0.0123 75.3104 58.0500
1605 CA ARG 198 0.0187 83.1542 69.0100
1616 CA ASN 199 0.0244 90.1462 92.8600
1624 CA ARG 200 0.0195 84.1677 82.5700
1635 CA PRO 201 0.0254 91.3040 83.5500
1642 CA THR 202 0.0294 96.2500 95.8700
1649 CA LYS 203 0.0198 84.5113 108.4200
1658 CA LEU 204 0.0132 76.4619 83.2500
1666 CA LYS 205 0.0146 78.0985 68.5400
1675 CA SER 206 0.0142 77.5968 103.7800
1681 CA LEU 207 0.0083 70.4826 92.5200
1689 CA ILE 208 0.0083 70.4801 68.3600
1697 CA ARG 209 0.0111 73.8615 94.5800
1708 CA LEU 210 0.0085 70.6753 110.4200
1716 CA VAL 211 0.0065 68.1859 93.4900
1723 CA LYS 212 0.0081 70.2331 96.1800
1732 CA HIS 213 0.0104 73.0402 112.3900
1742 CA TRP 214 0.0086 70.7992 94.2600
1756 CA TYR 215 0.0109 73.5994 95.4800
1768 CA GLN 216 0.0130 76.2207 96.4500
1777 CA THR 217 0.0175 81.7316 105.4700
1784 CA CYS 218 0.0184 82.7750 118.4300
1790 CA LYS 219 0.0258 91.8459 126.5100
1799 CA LYS 220 0.0368 105.2808 132.9500
1808 CA THR 221 0.0432 113.1152 152.1900
1815 CA HIS 222 0.0393 108.4223 172.0000
1825 CA GLY 223 0.0561 128.9841 171.7100
1829 CA ASN 224 0.0613 135.3676 153.8800
1837 CA LYS 225 0.0429 112.7417 165.1200
1846 CA LEU 226 0.0244 90.1216 124.8100
1854 CA PRO 227 0.0170 81.1215 72.6100
1861 CA PRO 228 0.0163 80.2326 72.9500
1868 CA GLN 229 0.0100 72.5501 69.1900
1877 CA TYR 230 0.0083 70.4566 59.5100
1889 CA ALA 231 0.0084 70.5849 74.4700
1894 CA LEU 232 0.0067 68.4982 78.8400
1902 CA GLU 233 0.0068 68.5941 61.5800
1911 CA LEU 234 0.0066 68.3472 62.4200
1919 CA LEU 235 0.0067 68.4707 71.3400
1927 CA THR 236 0.0062 67.9046 71.4600
1934 CA VAL 237 0.0085 70.6629 62.6600
1941 CA TYR 238 0.0091 71.3600 64.6000
1953 CA ALA 239 0.0109 73.5610 71.6800
1958 CA TRP 240 0.0119 74.8797 84.1200
1972 CA GLU 241 0.0175 81.7372 90.7400
1981 CA GLN 242 0.0231 88.5592 95.2700
1990 CA GLY 243 0.0333 101.0097 152.5200
1994 CA SER 244 0.0277 94.1183 141.3500
2000 CA ARG 245 0.0346 102.6848 116.7600
2011 CA LYS 246 0.0412 110.6986 110.7400
2020 CA THR 247 0.0504 122.0189 117.4000
2027 CA ASP 248 0.0557 128.4064 117.9000
2035 CA PHE 249 0.0256 91.6645 108.8600
2046 CA SER 250 0.0213 86.3259 110.6500
2052 CA THR 251 0.0129 76.0170 120.4600
2059 CA ALA 252 0.0125 75.6222 118.9100
2064 CA GLN 253 0.0150 78.6138 102.4600
2073 CA GLY 254 0.0108 73.4580 91.5800
2077 CA PHE 255 0.0082 70.3637 100.7600
2088 CA GLN 256 0.0102 72.7103 118.9400
2097 CA THR 257 0.0106 73.2843 89.6800
2104 CA VAL 258 0.0084 70.6069 89.1900
2111 CA LEU 259 0.0101 72.6915 98.9800
2119 CA GLU 260 0.0130 76.1849 116.2300
2128 CA LEU 261 0.0113 74.0635 107.2000
2136 CA VAL 262 0.0121 75.1101 102.8400
2143 CA LEU 263 0.0172 81.3778 98.7900
2151 CA LYS 264 0.0193 83.8898 88.6500
2160 CA HIS 265 0.0157 79.5492 86.1600
2170 CA GLN 266 0.0257 91.7046 91.7400
2179 CA LYS 267 0.0343 102.2364 88.2500
2188 CA LEU 268 0.0190 83.5292 80.3200
2196 CA CYS 269 0.0137 76.9999 69.5800
2202 CA ILE 270 0.0112 74.0236 67.4600
2210 CA PHE 271 0.0098 72.2558 58.4600
2221 CA TRP 272 0.0094 71.7442 60.7300
2235 CA GLU 273 0.0148 78.4474 53.6400
2244 CA ALA 274 0.0149 78.5475 57.9600
2249 CA TYR 275 0.0104 73.0137 52.5000
2261 CA TYR 276 0.0114 74.2575 62.6200
2273 CA ASP 277 0.0211 86.0404 69.7000
2281 CA PHE 278 0.0270 93.3719 71.0200
2292 CA THR 279 0.0511 122.8596 66.0200
2299 CA ASN 280 0.0367 105.1404 76.5000
2307 CA PRO 281 0.0438 113.8724 70.8700
2314 CA VAL 282 0.0303 97.3658 61.6800
2321 CA VAL 283 0.0173 81.5006 66.3200
2328 CA GLY 284 0.0224 87.6686 58.5500
2332 CA ARG 285 0.0311 98.3125 65.6300
2343 CA CYS 286 0.0203 85.1072 67.8700
2349 CA MET 287 0.0158 79.5623 58.1600
2357 CA LEU 288 0.0230 88.3884 80.0300
2365 CA GLN 289 0.0243 90.0719 79.0200
2374 CA GLN 290 0.0160 79.8686 77.2600
2383 CA LEU 291 0.0188 83.2910 78.7800
2391 CA LYS 292 0.0321 99.5510 80.9700
2400 CA LYS 293 0.0250 90.9057 77.5800
2409 CA PRO 294 0.0295 96.3239 127.5300
2416 CA ARG 295 0.0202 84.9630 78.2900
2427 CA PRO 296 0.0162 80.0793 94.0700
2434 CA VAL 297 0.0126 75.6718 72.7800
2441 CA ILE 298 0.0100 72.5181 70.5700
2449 CA LEU 299 0.0086 70.7825 56.1800
2457 CA ASP 300 0.0078 69.8718 74.4300
2465 CA PRO 301 0.0073 69.2247 65.0500
2472 CA ALA 302 0.0068 68.5902 58.2900
2477 CA ASP 303 0.0074 69.3210 68.9500
2485 CA PRO 304 0.0080 70.0261 67.6600
2492 CA THR 305 0.0098 72.2272 68.4500
2499 CA GLY 306 0.0108 73.5325 88.3800
2503 CA ASN 307 0.0114 74.2376 83.8700
2511 CA VAL 308 0.0113 74.1516 80.3700
2518 CA GLY 309 0.0152 78.8329 119.6700
2522 CA GLY 310 0.0194 84.0572 116.7300
2526 CA GLY 311 0.0448 115.1676 114.8600
2530 CA ASP 312 0.0376 106.2643 115.8800
2538 CA THR 313 0.0338 101.6678 133.3200
2545 CA HIS 314 0.0402 109.5118 155.5600
2555 CA SER 315 0.0254 91.4175 103.1900
2561 CA TRP 316 0.0179 82.2016 88.2800
2575 CA GLN 317 0.0278 94.3522 141.0100
2584 CA ARG 318 0.0275 93.8814 151.2700
2595 CA LEU 319 0.0167 80.6782 118.3200
2603 CA ALA 320 0.0172 81.3867 97.9300
2608 CA GLN 321 0.0240 89.6249 128.4200
2617 CA GLU 322 0.0199 84.6578 135.6900
2626 CA ALA 323 0.0146 78.1952 94.2800
2631 CA ARG 324 0.0240 89.6405 112.7400
2642 CA VAL 325 0.0242 89.9511 118.1600
2649 CA TRP 326 0.0169 80.9940 126.4400
2663 CA LEU 327 0.0185 82.8639 123.3000
2671 CA GLY 328 0.0258 91.8184 119.7100
2675 CA TYR 329 0.0243 90.0089 115.4600
2687 CA PRO 330 0.0252 91.1645 118.6300
2694 CA CYS 331 0.0167 80.6594 115.2500
2700 CA CYS 332 0.0162 80.1219 147.5900
2706 CA LYS 333 0.0301 97.1476 154.9000
2715 CA ASN 334 0.0404 109.7085 155.9600
2723 CA LEU 335 0.1432 235.5372 152.8800
2731 CA ASP 336 0.1727 271.6226 171.1600
2739 CA GLY 337 0.0996 182.1997 164.6700
2743 CA SER 338 0.0789 156.9016 153.4300
2749 CA LEU 339 0.0378 106.5293 127.7700
2757 CA VAL 340 0.0307 97.8242 117.6500
2764 CA GLY 341 0.0274 93.7751 136.5100
2768 CA ALA 342 0.0200 84.7159 130.5700
2773 CA TRP 343 0.0250 90.9245 138.5200
2787 CA THR 344 0.0432 113.1328 191.0200
2794 CA MET 345 0.0502 121.7256 156.1600
2802 CA LEU 346 0.1097 194.5266 127.3300

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.