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

* TRANSFERASE 17-JUL-00 1FBZ *

B-factor analysis for ID 2301201524599102

Overall B-factor prediction

Correlation= 0.352 for 208 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 GLU 1 0.2428 122.4546 40.0300
10 CA PRO 2 0.1001 68.1343 41.0600
17 CA GLU 3 0.0151 35.8156 41.7400
27 CA PRO 4 0.0154 35.9276 31.5800
34 CA TRP 5 0.0054 32.0984 23.9800
50 CA PHE 6 0.0048 31.8776 22.4500
62 CA PHE 7 0.0048 31.8922 26.0600
74 CA LYS 8 0.0087 33.3724 21.1600
87 CA ASN 9 0.0192 37.3443 22.4800
98 CA LEU 10 0.0079 33.0501 14.2100
107 CA SER 11 0.0100 33.8562 21.4700
115 CA ARG 12 0.0076 32.9563 25.5400
132 CA LYS 13 0.0154 35.9117 27.8400
145 CA ASP 14 0.0102 33.9441 22.4100
154 CA ALA 15 0.0048 31.8918 21.5100
160 CA GLU 16 0.0058 32.2666 20.3700
170 CA ARG 17 0.0135 35.1770 21.0800
187 CA GLN 18 0.0085 33.3062 24.2500
199 CA LEU 19 0.0040 31.5923 27.4100
208 CA LEU 20 0.0057 32.2343 20.7200
217 CA ALA 21 0.0167 36.3999 26.4900
223 CA PRO 22 0.0308 41.7685 32.2200
230 CA GLY 23 0.0132 35.0594 30.4500
235 CA ASN 24 0.0066 32.5730 34.7900
246 CA THR 25 0.0060 32.3377 38.9300
255 CA HIS 26 0.0058 32.2784 41.2100
268 CA GLY 27 0.0046 31.8048 41.0300
273 CA SER 28 0.0037 31.4518 35.3600
281 CA PHE 29 0.0028 31.1066 32.6800
293 CA LEU 30 0.0026 31.0446 25.0900
302 CA ILE 31 0.0030 31.2111 22.5400
311 CA ARG 32 0.0030 31.1849 20.4400
328 CA GLU 33 0.0062 32.4262 29.5200
338 CA SER 34 0.0073 32.8380 34.1100
346 CA GLU 35 0.0158 36.0727 35.0300
356 CA SER 36 0.0431 46.4609 42.6500
364 CA THR 37 0.0367 44.0245 42.7900
373 CA ALA 38 0.0435 46.6042 38.0200
379 CA GLY 39 0.0170 36.5184 38.2900
384 CA SER 40 0.0086 33.3145 32.7800
392 CA PHE 41 0.0042 31.6686 25.5900
404 CA CYS 42 0.0042 31.6374 22.5300
411 CA LEU 43 0.0030 31.1909 22.3800
420 CA SER 44 0.0027 31.0930 18.2800
428 CA VAL 45 0.0036 31.4086 23.8300
436 CA ARG 46 0.0029 31.1643 25.8100
453 CA ASP 47 0.0068 32.6343 36.5300
462 CA PHE 48 0.0124 34.7805 47.7900
474 CA ASP 49 0.0302 41.5586 64.2100
483 CA GLN 50 0.0700 56.7084 72.1800
495 CA ASN 51 0.0917 64.9419 70.1200
506 CA GLN 52 0.0763 59.1057 61.7000
518 CA GLY 53 0.0237 39.0543 49.2500
523 CA GLU 54 0.0125 34.8169 41.7200
533 CA VAL 55 0.0071 32.7449 39.9300
541 CA VAL 56 0.0051 32.0058 28.8900
549 CA LYS 57 0.0041 31.5980 25.9000
562 CA HIS 58 0.0054 32.0969 21.4100
575 CA TYR 59 0.0045 31.7747 20.5200
589 CA LYS 60 0.0045 31.7738 23.2100
602 CA ILE 61 0.0049 31.9290 22.1000
611 CA ARG 62 0.0091 33.5080 30.5400
628 CA ASN 63 0.0100 33.8655 38.8900
639 CA LEU 64 0.0132 35.0720 41.0900
648 CA ASP 65 0.0851 62.4489 47.1900
657 CA ASN 66 0.0810 60.8675 35.6200
668 CA GLY 67 0.0346 43.2274 35.9300
673 CA GLY 68 0.0155 35.9657 36.9700
678 CA PHE 69 0.0057 32.2386 32.0500
690 CA TYR 70 0.0060 32.3290 27.9600
704 CA ILE 71 0.0067 32.6020 23.4700
713 CA SER 72 0.0116 34.4855 19.7200
721 CA PRO 73 0.0353 43.4807 19.8500
728 CA ARG 74 0.0294 41.2323 31.5600
745 CA ILE 75 0.0114 34.3959 26.1100
754 CA THR 76 0.0092 33.5516 22.7600
763 CA PHE 77 0.0066 32.5822 26.1800
775 CA PRO 78 0.0118 34.5530 33.7200
782 CA GLY 79 0.0073 32.8514 32.4100
787 CA LEU 80 0.0055 32.1320 32.3100
796 CA HIS 81 0.0093 33.6006 29.4700
809 CA GLU 82 0.0081 33.1287 32.1100
819 CA LEU 83 0.0039 31.5323 24.9100
828 CA VAL 84 0.0045 31.7688 25.1000
836 CA ARG 85 0.0136 35.2439 29.4600
853 CA HIS 86 0.0078 33.0210 22.0300
866 CA TYR 87 0.0053 32.0575 18.9600
880 CA THR 88 0.0073 32.8182 26.6200
889 CA ASN 89 0.0189 37.2292 27.4600
900 CA ALA 90 0.0132 35.0606 23.6000
906 CA SER 91 0.0105 34.0567 24.5800
914 CA ASP 92 0.0127 34.8759 22.1600
923 CA GLY 93 0.0193 37.4001 19.7600
928 CA LEU 94 0.0121 34.6632 24.9500
937 CA CYS 95 0.0088 33.3953 28.3700
944 CA THR 96 0.0071 32.7563 21.3800
953 CA ARG 97 0.0076 32.9584 23.8500
970 CA LEU 98 0.0056 32.1772 29.6400
979 CA SER 99 0.0073 32.8466 34.8600
987 CA ARG 100 0.0070 32.7144 40.5400
1004 CA PRO 101 0.0057 32.2197 35.6000
1011 CA CYS 102 0.0047 31.8254 30.5100
1018 CA GLN 103 0.0107 34.1110 42.2400
1030 CA THR 104 0.0292 41.1721 41.8200
1040 CA GLU 201 0.4651 207.0277 70.2200
1048 CA PRO 202 0.1343 81.1581 57.7500
1055 CA GLU 203 0.0196 37.4959 40.5800
1065 CA PRO 204 0.0176 36.7362 33.6000
1072 CA TRP 205 0.0058 32.2504 39.8800
1088 CA PHE 206 0.0052 32.0176 49.3600
1100 CA PHE 207 0.0066 32.5522 52.7500
1112 CA LYS 208 0.0173 36.6353 64.4500
1125 CA ASN 209 0.0151 35.8102 63.6100
1136 CA LEU 210 0.0081 33.1396 54.9700
1145 CA SER 211 0.0093 33.6055 54.2300
1153 CA ARG 212 0.0068 32.6494 54.4700
1170 CA LYS 213 0.0120 34.6282 61.5100
1183 CA ASP 214 0.0108 34.1486 56.3600
1192 CA ALA 215 0.0050 31.9745 48.2000
1198 CA GLU 216 0.0060 32.3374 58.5700
1208 CA ARG 217 0.0134 35.1526 54.5400
1225 CA GLN 218 0.0088 33.4205 49.5800
1237 CA LEU 219 0.0045 31.7656 39.0700
1246 CA LEU 220 0.0068 32.6429 48.6800
1255 CA ALA 221 0.0188 37.2025 65.7700
1261 CA PRO 222 0.0328 42.5548 67.2600
1268 CA GLY 223 0.0144 35.5293 56.2600
1273 CA ASN 224 0.0072 32.8125 48.1400
1284 CA THR 225 0.0065 32.5435 50.1200
1293 CA HIS 226 0.0051 32.0033 60.1000
1306 CA GLY 227 0.0045 31.7781 44.1800
1311 CA SER 228 0.0037 31.4660 36.4500
1319 CA PHE 229 0.0030 31.2126 29.8000
1331 CA LEU 230 0.0029 31.1452 31.7500
1340 CA ILE 231 0.0033 31.3180 35.6500
1349 CA ARG 232 0.0033 31.3224 46.4200
1366 CA GLU 233 0.0072 32.7865 61.9000
1376 CA SER 234 0.0069 32.6755 64.9500
1384 CA GLU 235 0.0124 34.7830 64.4800
1394 CA SER 236 0.0293 41.2130 67.1600
1402 CA THR 237 0.0324 42.3936 68.0100
1411 CA ALA 238 0.0489 48.6576 69.6400
1417 CA GLY 239 0.0211 38.0918 65.9700
1422 CA SER 240 0.0110 34.2283 51.4800
1430 CA PHE 241 0.0045 31.7563 36.0600
1442 CA CYS 242 0.0044 31.7430 39.0700
1449 CA LEU 243 0.0030 31.2005 44.6800
1458 CA SER 244 0.0028 31.1023 43.2900
1466 CA VAL 245 0.0036 31.4181 36.3000
1474 CA ARG 246 0.0030 31.1965 41.7000
1491 CA ASP 247 0.0055 32.1648 42.4400
1500 CA PHE 248 0.0092 33.5392 61.4400
1512 CA ASP 249 0.0411 45.7077 74.8400
1521 CA GLN 250 0.1100 71.9132 82.6700
1533 CA ASN 251 0.1214 76.2371 88.5300
1544 CA GLN 252 0.0886 63.7729 87.8400
1556 CA GLY 253 0.0255 39.7443 85.7800
1561 CA GLU 254 0.0116 34.4549 78.4300
1571 CA VAL 255 0.0075 32.8933 65.3600
1579 CA VAL 256 0.0049 31.9036 39.7800
1587 CA LYS 257 0.0042 31.6687 34.2400
1600 CA HIS 258 0.0054 32.1180 31.2800
1613 CA TYR 259 0.0045 31.7646 31.2100
1627 CA LYS 260 0.0046 31.8235 34.5600
1640 CA ILE 261 0.0050 31.9491 26.0800
1649 CA ARG 262 0.0075 32.9130 22.8400
1666 CA ASN 263 0.0136 35.2192 25.3000
1677 CA LEU 264 0.0184 37.0634 23.9800
1686 CA ASP 265 0.0970 66.9481 33.2100
1695 CA ASN 266 0.0761 59.0114 31.1400
1706 CA GLY 267 0.0382 44.5971 29.3300
1711 CA GLY 268 0.0179 36.8821 26.6200
1716 CA PHE 269 0.0062 32.4121 28.5200
1728 CA TYR 270 0.0062 32.4309 31.5000
1742 CA ILE 271 0.0067 32.5943 28.0000
1751 CA SER 272 0.0117 34.5091 28.3700
1759 CA PRO 273 0.0266 40.1723 21.1900
1766 CA ARG 274 0.0254 39.7112 30.7800
1783 CA ILE 275 0.0118 34.5386 24.9200
1792 CA THR 276 0.0102 33.9394 30.4800
1801 CA PHE 277 0.0073 32.8389 21.9300
1813 CA PRO 278 0.0128 34.9159 21.4300
1820 CA GLY 279 0.0083 33.2088 15.3600
1825 CA LEU 280 0.0058 32.2506 26.4300
1834 CA HIS 281 0.0108 34.1557 37.7100
1847 CA GLU 282 0.0083 33.1967 32.6100
1857 CA LEU 283 0.0043 31.6964 26.5300
1866 CA VAL 284 0.0049 31.9137 24.5300
1874 CA ARG 285 0.0123 34.7208 34.2200
1891 CA HIS 286 0.0079 33.0435 23.9500
1904 CA TYR 287 0.0051 32.0113 18.7200
1918 CA THR 288 0.0070 32.7079 24.7800
1927 CA ASN 289 0.0149 35.7220 27.4500
1938 CA ALA 290 0.0115 34.4333 31.7700
1944 CA SER 291 0.0095 33.6670 23.4300
1952 CA ASP 292 0.0111 34.2767 23.8100
1961 CA GLY 293 0.0149 35.7338 24.4100
1966 CA LEU 294 0.0098 33.7989 25.5400
1975 CA CYS 295 0.0075 32.9220 31.7600
1982 CA THR 296 0.0066 32.5570 35.5100
1991 CA ARG 297 0.0067 32.6153 35.3900
2008 CA LEU 298 0.0053 32.0890 36.1400
2017 CA SER 299 0.0074 32.8740 37.0500
2025 CA ARG 300 0.0075 32.9126 42.6000
2042 CA PRO 301 0.0058 32.2657 37.0900
2049 CA CYS 302 0.0048 31.8988 41.8900
2056 CA GLN 303 0.0129 34.9612 49.8000
2068 CA THR 304 0.0339 42.9601 58.0900

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.