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

* TRANSFERASE 27-AUG-14 4UXX *

B-factor analysis for ID 240124020217199678

Overall B-factor prediction

Correlation= 0.541 for 336 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 PHE 7 0.3295 233.6329 137.2700
13 CA THR 8 0.2358 186.5341 119.2000
20 CA ARG 9 0.0916 113.9989 104.7400
31 CA ILE 10 0.1020 119.2581 100.7800
39 CA ILE 11 0.1188 127.6635 103.3300
47 CA LYS 12 0.0796 107.9577 92.8200
56 CA ALA 13 0.0464 91.2880 74.3400
61 CA ALA 14 0.0451 90.6351 59.9400
66 CA GLY 15 0.0379 86.9872 75.0700
70 CA TYR 16 0.0266 81.3056 62.8000
82 CA SER 17 0.0172 76.5927 73.2200
88 CA TRP 18 0.0285 82.2707 72.2700
102 CA LYS 19 0.0210 78.5233 76.5300
111 CA GLY 20 0.0145 75.2552 62.7800
115 CA LEU 21 0.0188 77.4035 78.0800
123 CA ARG 22 0.0330 84.5306 65.5600
134 CA ALA 23 0.0264 81.2182 85.4100
139 CA ALA 24 0.0205 78.2710 74.7700
144 CA TRP 25 0.0283 82.1753 81.3000
158 CA ILE 26 0.0462 91.1596 93.4400
166 CA ASN 27 0.0460 91.0815 88.4600
174 CA GLU 28 0.0321 84.1115 110.4200
183 CA ALA 29 0.0426 89.3485 100.9400
188 CA ALA 30 0.0349 85.5071 85.5100
193 CA PHE 31 0.0190 77.4835 76.5300
204 CA ARG 32 0.0285 82.2845 96.2400
215 CA GLN 33 0.0361 86.0844 85.2800
224 CA GLU 34 0.0225 79.2791 88.0200
233 CA GLY 35 0.0327 84.4155 81.1400
237 CA VAL 36 0.0446 90.3925 80.6100
244 CA ALA 37 0.0297 82.8726 74.5700
249 CA VAL 38 0.0228 79.3883 75.6100
256 CA LEU 39 0.0484 92.2679 83.3000
264 CA LEU 40 0.0415 88.8325 82.3800
272 CA ALA 41 0.0207 78.3524 78.4800
277 CA VAL 42 0.0266 81.3029 84.4200
284 CA VAL 43 0.0420 89.0855 80.5900
291 CA ILE 44 0.0342 85.1492 87.5100
299 CA ALA 45 0.0230 79.5127 95.2500
304 CA CYS 46 0.0383 87.2294 93.2400
310 CA TRP 47 0.0638 100.0074 86.4600
324 CA LEU 48 0.0472 91.6578 101.5300
332 CA ASP 49 0.0562 96.1862 110.8200
340 CA VAL 50 0.0341 85.1091 87.4300
347 CA ASP 51 0.0208 78.4181 81.2600
355 CA ALA 52 0.0165 76.2685 83.7100
360 CA CYS 53 0.0103 73.1025 84.0600
366 CA THR 54 0.0098 72.8867 80.3600
373 CA ARG 55 0.0118 73.8833 79.1700
384 CA VAL 56 0.0098 72.8927 72.1300
391 CA LEU 57 0.0077 71.8257 63.6700
399 CA LEU 58 0.0089 72.4108 68.1300
407 CA ILE 59 0.0094 72.6802 72.0800
415 CA SER 60 0.0085 72.2237 60.7600
421 CA SER 61 0.0084 72.1567 68.1200
427 CA VAL 62 0.0086 72.2480 54.4500
434 CA MET 63 0.0066 71.2872 45.4800
442 CA LEU 64 0.0064 71.1739 68.4700
450 CA VAL 65 0.0077 71.8345 63.3100
457 CA MET 66 0.0075 71.7388 72.0400
465 CA ILE 67 0.0058 70.8636 48.5600
473 CA VAL 68 0.0062 71.0665 65.8000
480 CA GLU 69 0.0075 71.7260 47.2600
489 CA LEU 70 0.0063 71.1381 50.1200
497 CA LEU 71 0.0051 70.5303 59.1200
505 CA ASN 72 0.0055 70.7335 48.3500
513 CA SER 73 0.0068 71.3573 61.0700
519 CA ALA 74 0.0063 71.1171 68.0700
524 CA ILE 75 0.0063 71.1078 63.5100
532 CA GLU 76 0.0078 71.8945 63.7400
541 CA ALA 77 0.0108 73.3892 62.3500
546 CA VAL 78 0.0091 72.5040 67.5300
553 CA VAL 79 0.0121 74.0271 71.0500
560 CA ASP 80 0.0190 77.5014 84.8700
568 CA ARG 81 0.0230 79.5301 78.5000
579 CA ILE 82 0.0196 77.7781 93.5500
587 CA GLY 83 0.0321 84.0745 100.1500
591 CA SER 84 0.0461 91.1479 137.8600
597 CA GLU 85 0.0405 88.3098 147.7000
606 CA TYR 86 0.0452 90.6871 168.2400
618 CA HIS 87 0.0743 105.2934 182.6900
628 CA GLU 88 0.0552 95.6823 189.1400
637 CA LEU 89 0.0966 116.4995 189.7300
645 CA SER 90 0.0656 100.9103 178.9600
651 CA GLY 91 0.0226 79.3175 117.9700
655 CA ARG 92 0.0150 75.5104 112.2600
666 CA ALA 93 0.0091 72.5038 77.2900
671 CA LYS 94 0.0099 72.9489 85.0300
680 CA ASP 95 0.0124 74.1943 68.1000
688 CA LEU 96 0.0085 72.2206 75.6500
696 CA GLY 97 0.0072 71.5505 68.1100
700 CA SER 98 0.0095 72.7336 76.5100
706 CA ALA 99 0.0089 72.4247 70.6100
711 CA ALA 100 0.0072 71.5509 68.3400
716 CA VAL 101 0.0077 71.8232 65.1100
723 CA LEU 102 0.0097 72.8381 63.2900
731 CA ILE 103 0.0077 71.8177 70.7000
739 CA ALA 104 0.0079 71.9024 64.1600
744 CA ILE 105 0.0099 72.9240 56.3200
752 CA ILE 106 0.0114 73.7036 67.9600
760 CA ASP 107 0.0091 72.5444 62.9200
768 CA ALA 108 0.0090 72.4650 60.9400
773 CA VAL 109 0.0147 75.3329 68.1700
780 CA ILE 110 0.0129 74.4470 65.8400
788 CA THR 111 0.0110 73.4669 59.8600
795 CA TRP 112 0.0120 73.9831 64.8200
809 CA CYS 113 0.0215 78.7611 63.4500
815 CA ILE 114 0.0173 76.6348 68.5000
823 CA LEU 115 0.0147 75.3477 62.8000
831 CA LEU 116 0.0239 79.9666 69.5700
839 CA TRP 117 0.0499 93.0624 67.0900
853 CA SER 118 0.0483 92.2369 74.6100
859 CA HIS 119 0.0508 93.4910 80.6800
869 CA PHE 120 0.0812 108.8008 74.3600
881 CA GLY 6 0.6266 383.0554 164.9800
885 CA PHE 7 0.4481 293.2990 154.8100
896 CA THR 8 0.3061 221.8465 154.4100
903 CA ARG 9 0.1582 147.5120 134.1600
914 CA ILE 10 0.1532 144.9629 105.3000
922 CA ILE 11 0.1431 139.8993 116.1600
930 CA LYS 12 0.0874 111.8814 124.0800
939 CA ALA 13 0.0555 95.8685 118.1700
944 CA ALA 14 0.0489 92.5458 86.9900
949 CA GLY 15 0.0406 88.3654 95.4800
953 CA TYR 16 0.0248 80.4230 79.8400
965 CA SER 17 0.0173 76.6519 86.3300
971 CA TRP 18 0.0286 82.3335 98.1300
985 CA LYS 19 0.0224 79.2174 84.7300
994 CA GLY 20 0.0125 74.2297 89.8000
998 CA LEU 21 0.0159 75.9622 73.2900
1006 CA ARG 22 0.0287 82.3666 92.0900
1017 CA ALA 23 0.0210 78.4954 84.7000
1022 CA ALA 24 0.0147 75.3348 76.9400
1027 CA TRP 25 0.0205 78.2710 66.9900
1041 CA ILE 26 0.0304 83.2589 81.7000
1049 CA ASN 27 0.0276 81.8285 79.3200
1057 CA GLU 28 0.0164 76.2174 80.6300
1066 CA ALA 29 0.0218 78.9080 82.2800
1071 CA ALA 30 0.0189 77.4614 76.0300
1076 CA PHE 31 0.0136 74.8111 71.3700
1087 CA ARG 32 0.0216 78.8283 75.5600
1098 CA GLN 33 0.0276 81.8445 65.5400
1107 CA GLU 34 0.0192 77.5782 63.7400
1116 CA GLY 35 0.0208 78.4076 65.6800
1120 CA VAL 36 0.0423 89.2346 66.1700
1127 CA ALA 37 0.0399 88.0275 65.5600
1132 CA VAL 38 0.0241 80.0614 71.5300
1139 CA LEU 39 0.0399 88.0175 95.0700
1147 CA LEU 40 0.0477 91.9366 71.5600
1155 CA ALA 41 0.0277 81.8565 58.4600
1160 CA VAL 42 0.0254 80.7166 77.0200
1167 CA VAL 43 0.0420 89.0836 81.4200
1174 CA ILE 44 0.0356 85.8499 93.2000
1182 CA ALA 45 0.0240 80.0098 83.1800
1187 CA CYS 46 0.0419 89.0036 88.3700
1193 CA TRP 47 0.0588 97.5247 88.5400
1207 CA LEU 48 0.0410 88.5644 89.0100
1215 CA ASP 49 0.0528 94.5059 111.5900
1223 CA VAL 50 0.0288 82.4418 97.0600
1230 CA ASP 51 0.0274 81.7483 88.2800
1238 CA ALA 52 0.0154 75.7053 74.6400
1243 CA CYS 53 0.0111 73.5115 87.4200
1249 CA THR 54 0.0121 74.0234 85.1800
1256 CA ARG 55 0.0128 74.3836 76.3100
1267 CA VAL 56 0.0084 72.1938 66.2100
1274 CA LEU 57 0.0075 71.6998 59.1200
1282 CA LEU 58 0.0096 72.7622 66.8400
1290 CA ILE 59 0.0103 73.1445 57.0200
1298 CA SER 60 0.0077 71.8279 72.2900
1304 CA SER 61 0.0079 71.9343 59.3800
1310 CA VAL 62 0.0090 72.4937 56.2600
1317 CA MET 63 0.0082 72.0670 65.6400
1325 CA LEU 64 0.0065 71.2271 48.6600
1333 CA VAL 65 0.0067 71.3051 61.5400
1340 CA MET 66 0.0070 71.4690 65.2000
1348 CA ILE 67 0.0065 71.2152 61.5900
1356 CA VAL 68 0.0061 71.0215 60.4800
1363 CA GLU 69 0.0062 71.0436 49.0100
1372 CA LEU 70 0.0054 70.6419 52.0400
1380 CA LEU 71 0.0049 70.4237 65.3400
1388 CA ASN 72 0.0058 70.8406 60.6200
1396 CA SER 73 0.0058 70.8743 52.7700
1402 CA ALA 74 0.0054 70.6733 62.3200
1407 CA ILE 75 0.0047 70.3346 62.9400
1415 CA GLU 76 0.0069 71.4314 66.1100
1424 CA ALA 77 0.0081 72.0246 58.6900
1429 CA VAL 78 0.0075 71.7009 57.0700
1436 CA VAL 79 0.0093 72.6274 72.4200
1443 CA ASP 80 0.0160 75.9840 65.6600
1451 CA ARG 81 0.0149 75.4522 82.4900
1462 CA ILE 82 0.0169 76.4210 73.2100
1470 CA GLY 83 0.0273 81.6623 88.9400
1474 CA SER 84 0.0378 86.9467 84.5300
1480 CA GLU 85 0.0394 87.7487 89.4500
1489 CA TYR 86 0.0393 87.7218 84.4400
1501 CA HIS 87 0.0680 102.1221 79.3600
1511 CA GLU 88 0.0640 100.1068 80.0500
1520 CA LEU 89 0.0418 88.9641 79.6400
1528 CA SER 90 0.0467 91.4063 70.1300
1534 CA GLY 91 0.0274 81.7504 68.6500
1538 CA ARG 92 0.0160 76.0074 68.8100
1549 CA ALA 93 0.0090 72.4506 55.7700
1554 CA LYS 94 0.0088 72.3852 52.1000
1563 CA ASP 95 0.0108 73.3930 60.4100
1571 CA LEU 96 0.0072 71.5529 51.5600
1579 CA GLY 97 0.0073 71.6430 56.6800
1583 CA SER 98 0.0100 73.0001 61.1400
1589 CA ALA 99 0.0088 72.3846 58.4700
1594 CA ALA 100 0.0069 71.4161 59.4600
1599 CA VAL 101 0.0069 71.4174 60.7800
1606 CA LEU 102 0.0097 72.8365 58.4400
1614 CA ILE 103 0.0086 72.2737 56.2300
1622 CA ALA 104 0.0077 71.8304 58.6300
1627 CA ILE 105 0.0097 72.8459 57.5400
1635 CA ILE 106 0.0147 75.3375 63.7900
1643 CA ASP 107 0.0099 72.9058 51.7700
1651 CA ALA 108 0.0094 72.6688 60.2100
1656 CA VAL 109 0.0176 76.8180 61.6200
1663 CA ILE 110 0.0137 74.8504 64.1900
1671 CA THR 111 0.0102 73.0609 62.1000
1678 CA TRP 112 0.0140 74.9948 62.7500
1692 CA CYS 113 0.0220 79.0240 68.2200
1698 CA ILE 114 0.0182 77.1163 84.8700
1706 CA LEU 115 0.0159 75.9226 80.5300
1714 CA LEU 116 0.0305 83.2925 82.9900
1722 CA TRP 117 0.0572 96.7149 98.6300
1736 CA SER 118 0.0558 96.0083 108.0300
1742 CA HIS 119 0.0544 95.2786 142.3400
1752 CA PHE 120 0.0805 108.4090 138.5600
1763 CA GLY 121 0.1236 130.0829 130.1400
1768 CA TYR 16 0.0193 77.6677 100.1700
1780 CA SER 17 0.0175 76.7430 109.5200
1786 CA TRP 18 0.0385 87.3309 131.3700
1800 CA LYS 19 0.0297 82.8639 92.7500
1809 CA GLY 20 0.0149 75.4423 77.8600
1813 CA LEU 21 0.0166 76.3067 79.7800
1821 CA ARG 22 0.0345 85.3056 90.6600
1832 CA ALA 23 0.0287 82.3571 88.9700
1837 CA ALA 24 0.0188 77.3882 96.5700
1842 CA TRP 25 0.0248 80.4247 106.3500
1856 CA ILE 26 0.0435 89.8283 120.2800
1864 CA ASN 27 0.0439 89.9983 122.2800
1872 CA GLU 28 0.0238 79.9171 139.7500
1881 CA ALA 29 0.0293 82.7033 124.1000
1886 CA ALA 30 0.0247 80.3592 113.0000
1891 CA PHE 31 0.0152 75.6104 92.5600
1902 CA ARG 32 0.0234 79.7011 123.0300
1913 CA GLN 33 0.0327 84.4102 129.2800
1922 CA GLU 34 0.0167 76.3618 111.3100
1931 CA GLY 35 0.0195 77.7311 118.0800
1935 CA VAL 36 0.0382 87.1690 135.7600
1942 CA ALA 37 0.0278 81.9425 111.1500
1947 CA VAL 38 0.0166 76.2925 103.3500
1954 CA LEU 39 0.0356 85.8440 107.9000
1962 CA LEU 40 0.0379 86.9842 125.2300
1970 CA ALA 41 0.0201 78.0303 104.1900
1975 CA VAL 42 0.0245 80.2537 94.9000
1982 CA VAL 43 0.0391 87.5911 109.4000
1989 CA ILE 44 0.0318 83.9581 108.9700
1997 CA ALA 45 0.0227 79.3688 118.9200
2002 CA CYS 46 0.0393 87.6989 129.2900
2008 CA TRP 47 0.0578 97.0131 141.0500
2022 CA LEU 48 0.0415 88.8067 122.6400
2030 CA ASP 49 0.0539 95.0717 140.4600
2038 CA VAL 50 0.0268 81.4300 108.1600
2045 CA ASP 51 0.0229 79.4852 99.4800
2053 CA ALA 52 0.0137 74.8361 70.9100
2058 CA CYS 53 0.0103 73.1198 75.8300
2064 CA THR 54 0.0115 73.7424 72.1600
2071 CA ARG 55 0.0118 73.8921 75.5200
2082 CA VAL 56 0.0078 71.8771 67.4300
2089 CA LEU 57 0.0072 71.5522 66.2600
2097 CA LEU 58 0.0093 72.6346 66.1000
2105 CA ILE 59 0.0096 72.7865 68.8100
2113 CA SER 60 0.0076 71.7446 58.3800
2119 CA SER 61 0.0074 71.6581 72.7400
2125 CA VAL 62 0.0084 72.1886 72.6200
2132 CA MET 63 0.0076 71.7561 60.9600
2140 CA LEU 64 0.0066 71.2635 58.5200
2148 CA VAL 65 0.0068 71.3543 62.4000
2156 CA MET 66 0.0074 71.6437 70.5700
2157 CA MET 66 0.0074 71.6437 70.5300
2171 CA ILE 67 0.0070 71.4872 68.9900
2179 CA VAL 68 0.0066 71.2730 70.7000
2186 CA GLU 69 0.0066 71.2730 57.7500
2195 CA LEU 70 0.0057 70.8148 71.0500
2203 CA LEU 71 0.0054 70.6565 70.1800
2211 CA ASN 72 0.0062 71.0578 60.6600
2219 CA SER 73 0.0065 71.2259 63.0200
2225 CA ALA 74 0.0065 71.1959 65.6400
2230 CA ILE 75 0.0054 70.6631 59.8800
2238 CA GLU 76 0.0078 71.8530 60.7700
2247 CA ALA 77 0.0097 72.8433 70.0100
2252 CA VAL 78 0.0089 72.4385 79.3100
2259 CA VAL 79 0.0098 72.8789 63.7200
2266 CA ASP 80 0.0199 77.9609 77.2100
2274 CA ARG 81 0.0175 76.7443 91.9200
2285 CA ILE 82 0.0177 76.8423 82.0300
2293 CA GLY 83 0.0268 81.4186 94.1000
2297 CA SER 84 0.0875 111.9683 111.7700
2303 CA GLU 85 0.0843 110.3482 128.5300
2312 CA TYR 86 0.0820 109.1900 117.9700
2324 CA HIS 87 0.0435 89.8342 101.2500
2334 CA GLU 88 0.0310 83.5190 95.9200
2343 CA LEU 89 0.0166 76.2833 82.4800
2351 CA SER 90 0.0136 74.8038 66.0700
2357 CA GLY 91 0.0160 75.9896 68.7400
2361 CA ARG 92 0.0104 73.1858 58.6000
2372 CA ALA 93 0.0075 71.7046 56.5700
2377 CA LYS 94 0.0080 71.9851 72.6600
2386 CA ASP 95 0.0096 72.7835 70.2400
2394 CA LEU 96 0.0065 71.2114 56.6900
2402 CA GLY 97 0.0068 71.3498 59.4900
2406 CA SER 98 0.0098 72.8564 66.9900
2412 CA ALA 99 0.0089 72.4200 57.0400
2417 CA ALA 100 0.0071 71.4954 52.6400
2422 CA VAL 101 0.0069 71.4385 72.6400
2429 CA LEU 102 0.0098 72.8504 75.6300
2437 CA ILE 103 0.0092 72.5680 69.0800
2445 CA ALA 104 0.0080 71.9708 62.0300
2450 CA ILE 105 0.0104 73.1601 75.8500
2458 CA ILE 106 0.0148 75.3934 71.9600
2466 CA ASP 107 0.0099 72.9087 73.8100
2474 CA ALA 108 0.0097 72.8029 68.5400
2479 CA VAL 109 0.0176 76.8212 74.4800
2486 CA ILE 110 0.0136 74.7858 105.0500
2494 CA THR 111 0.0103 73.1366 83.3100
2501 CA TRP 112 0.0144 75.1677 78.8300
2515 CA CYS 113 0.0224 79.2223 86.7200
2521 CA ILE 114 0.0185 77.2623 89.7300
2529 CA LEU 115 0.0168 76.3722 95.4000
2537 CA LEU 116 0.0344 85.2329 110.5700
2545 CA TRP 117 0.0652 100.7194 115.1300
2559 CA SER 118 0.0693 102.7953 144.7100
2565 CA HIS 119 0.0601 98.1799 143.3200
2575 CA PHE 120 0.0907 113.5468 200.2000

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.