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

* OXIDOREDUCTASE 27-SEP-05 2C29 *

B-factor analysis for ID 2406271141311183625

Overall B-factor prediction

Correlation= 0.743 for 325 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 6 0.0156 29.8767 41.1000
11 CA THR 7 0.0118 28.0651 30.5300
18 CA VAL 8 0.0068 25.6787 26.1600
25 CA CYS 9 0.0060 25.3066 26.6500
31 CA VAL 10 0.0045 24.6147 19.4900
38 CA THR 11 0.0055 25.0608 18.9900
45 CA GLY 12 0.0077 26.1402 25.0500
49 CA ALA 13 0.0065 25.5270 20.6100
54 CA SER 14 0.0118 28.0590 21.9500
60 CA GLY 15 0.0122 28.2755 18.1100
64 CA PHE 16 0.0081 26.3252 21.8500
75 CA ILE 17 0.0064 25.5088 23.9300
83 CA GLY 18 0.0074 25.9946 24.9800
87 CA SER 19 0.0073 25.9111 23.4000
93 CA TRP 20 0.0066 25.5953 20.2100
107 CA LEU 21 0.0054 25.0114 23.1700
115 CA VAL 22 0.0069 25.7561 25.4800
122 CA MET 23 0.0086 26.5277 19.7500
130 CA ARG 24 0.0083 26.4160 23.7000
141 CA LEU 25 0.0077 26.1270 25.8300
149 CA LEU 26 0.0125 28.3931 28.1700
157 CA GLU 27 0.0182 31.1204 36.2000
166 CA ARG 28 0.0201 32.0132 36.0000
177 CA GLY 29 0.0194 31.6728 32.4200
181 CA TYR 30 0.0114 27.8842 29.1500
193 CA THR 31 0.0128 28.5314 29.0800
200 CA VAL 32 0.0087 26.5693 24.5400
207 CA ARG 33 0.0084 26.4280 25.7600
218 CA ALA 34 0.0083 26.4258 25.9800
223 CA THR 35 0.0087 26.5959 23.8300
230 CA VAL 36 0.0180 31.0032 26.8800
237 CA ARG 37 0.0232 33.4875 28.8800
248 CA ASP 38 0.0387 40.8364 31.0200
256 CA PRO 39 0.0332 38.2247 32.7800
263 CA THR 40 0.0841 62.4086 33.2900
270 CA ASN 41 0.0575 49.7886 36.1200
278 CA VAL 42 0.0518 47.0655 43.0100
285 CA LYS 43 0.0486 45.5405 48.1000
290 CA LYS 44 0.0252 34.4357 37.3000
299 CA VAL 45 0.0223 33.0699 35.1700
306 CA LYS 46 0.0332 38.2276 38.2600
315 CA HIS 47 0.0204 32.1693 32.3100
325 CA LEU 48 0.0143 29.2507 23.9500
333 CA LEU 49 0.0235 33.6374 33.7800
341 CA ASP 50 0.0412 42.0349 35.7600
349 CA LEU 51 0.0253 34.4835 32.1600
357 CA PRO 52 0.0354 39.2572 45.9900
364 CA LYS 53 0.0299 36.6650 41.9600
373 CA ALA 54 0.0305 36.9296 38.2900
378 CA GLU 55 0.0631 52.4123 44.7800
387 CA THR 56 0.0498 46.0945 39.0900
394 CA HIS 57 0.0244 34.0419 33.3400
404 CA LEU 58 0.0144 29.2775 24.9600
412 CA THR 59 0.0154 29.7566 28.6000
419 CA LEU 60 0.0135 28.8572 29.5900
427 CA TRP 61 0.0138 29.0336 30.8300
441 CA LYS 62 0.0197 31.8004 26.5000
450 CA ALA 63 0.0188 31.3779 28.0400
455 CA ASP 64 0.0228 33.2929 33.0800
463 CA LEU 65 0.0141 29.1793 30.7400
471 CA ALA 66 0.0336 38.4071 38.1200
476 CA ASP 67 0.0376 40.2978 45.6300
484 CA GLU 68 0.0577 49.8851 44.3800
489 CA GLY 69 0.0395 41.2372 36.4400
493 CA SER 70 0.0183 31.1707 36.4400
499 CA PHE 71 0.0127 28.5026 28.9600
510 CA ASP 72 0.0174 30.7021 40.7000
518 CA GLU 73 0.0213 32.5878 39.0500
523 CA ALA 74 0.0123 28.2915 30.7900
528 CA ILE 75 0.0101 27.2804 30.3900
536 CA LYS 76 0.0203 32.1067 38.4300
545 CA GLY 77 0.0234 33.5722 33.5500
549 CA CYS 78 0.0122 28.2705 34.9100
555 CA THR 79 0.0133 28.7947 31.4600
562 CA GLY 80 0.0072 25.8628 28.8900
566 CA VAL 81 0.0054 25.0172 23.9800
573 CA PHE 82 0.0035 24.1140 22.0800
584 CA HIS 83 0.0042 24.4510 14.1300
594 CA VAL 84 0.0050 24.8272 21.5300
601 CA ALA 85 0.0066 25.6140 23.4800
606 CA THR 86 0.0129 28.5963 24.3900
613 CA PRO 87 0.0147 29.4306 28.0900
620 CA MET 88 0.0241 33.9119 30.5900
628 CA ASP 89 0.0294 36.4305 39.1800
636 CA PHE 90 0.0241 33.8913 34.4800
647 CA GLU 91 0.0545 48.3575 45.8400
654 CA SER 92 0.0535 47.8536 46.4300
660 CA LYS 93 0.1149 77.0248 54.1900
665 CA ASP 94 0.0586 50.2974 47.7200
673 CA PRO 95 0.0287 36.0853 44.5200
680 CA GLU 96 0.0313 37.3161 41.8200
689 CA ASN 97 0.0393 41.1086 43.5300
697 CA GLU 98 0.0349 39.0604 45.4500
706 CA VAL 99 0.0174 30.7238 36.3200
713 CA ILE 100 0.0130 28.6132 32.9900
721 CA LYS 101 0.0212 32.5464 38.5300
730 CA PRO 102 0.0157 29.9395 32.7500
737 CA THR 103 0.0107 27.5486 26.8200
744 CA ILE 104 0.0104 27.3897 25.9000
752 CA GLU 105 0.0135 28.8755 30.7000
761 CA GLY 106 0.0111 27.7469 24.0100
765 CA MET 107 0.0076 26.0873 22.7000
773 CA LEU 108 0.0100 27.1931 29.8200
781 CA GLY 109 0.0126 28.4252 32.2200
785 CA ILE 110 0.0081 26.3026 28.6500
793 CA MET 111 0.0088 26.6504 34.5900
801 CA LYS 112 0.0158 29.9442 42.1800
810 CA SER 113 0.0156 29.8496 38.3500
816 CA CYS 114 0.0138 29.0259 35.4200
822 CA ALA 115 0.0263 34.9597 44.7600
827 CA ALA 116 0.0345 38.8482 43.5400
832 CA ALA 117 0.0244 34.0533 45.9400
837 CA LYS 118 0.0563 49.1893 43.9400
846 CA THR 119 0.0295 36.4771 36.6200
853 CA VAL 120 0.0130 28.6510 32.5800
860 CA ARG 121 0.0145 29.3364 32.3100
871 CA ARG 122 0.0071 25.8097 30.2300
882 CA LEU 123 0.0057 25.1830 31.1100
890 CA VAL 124 0.0041 24.4139 28.7600
897 CA PHE 125 0.0040 24.3774 26.8100
908 CA THR 126 0.0043 24.5148 21.4900
915 CA SER 127 0.0046 24.6650 18.3900
921 CA SER 128 0.0063 25.4390 19.0500
927 CA ALA 129 0.0060 25.2998 23.8300
932 CA GLY 130 0.0077 26.1152 24.5300
936 CA THR 131 0.0068 25.6893 21.6400
943 CA VAL 132 0.0083 26.3876 24.3600
950 CA ASN 133 0.0092 26.8170 25.1600
958 CA ILE 134 0.0120 28.1825 25.7100
966 CA GLN 135 0.0174 30.7330 37.8300
975 CA GLU 136 0.0529 47.5669 31.2200
984 CA HIS 137 0.0436 43.1797 30.6600
994 CA GLN 138 0.0203 32.1103 25.6300
1003 CA LEU 139 0.0225 33.1474 22.9400
1011 CA PRO 140 0.0219 32.8714 29.6000
1018 CA VAL 141 0.0168 30.4184 25.0100
1025 CA TYR 142 0.0112 27.7881 19.7400
1037 CA ASP 143 0.0130 28.6178 29.6600
1045 CA GLU 144 0.0098 27.1209 26.7400
1054 CA SER 145 0.0197 31.8081 27.2800
1060 CA CYS 146 0.0115 27.9070 21.4700
1066 CA TRP 147 0.0099 27.1695 18.6800
1080 CA SER 148 0.0115 27.9376 23.3500
1086 CA ASP 149 0.0180 31.0331 27.8600
1094 CA MET 150 0.0182 31.1175 25.6800
1102 CA GLU 151 0.0341 38.6403 32.6600
1107 CA PHE 152 0.0276 35.5721 28.0300
1118 CA CYS 153 0.0177 30.8505 31.6600
1124 CA ARG 154 0.0247 34.1922 34.8600
1135 CA ALA 155 0.0394 41.1992 36.6000
1140 CA LYS 156 0.0454 44.0206 36.5700
1149 CA LYS 157 0.0337 38.4782 35.6300
1158 CA MET 158 0.0192 31.6009 32.7900
1166 CA THR 159 0.0176 30.8257 32.5800
1173 CA ALA 160 0.0161 30.0895 25.5600
1178 CA TRP 161 0.0131 28.7050 27.2800
1192 CA MET 162 0.0123 28.3120 31.4700
1202 CA TYR 163 0.0103 27.3597 28.5100
1214 CA PHE 164 0.0083 26.3848 23.7200
1225 CA VAL 165 0.0085 26.5037 27.1400
1232 CA SER 166 0.0079 26.2099 26.4600
1238 CA LYS 167 0.0066 25.5999 21.5200
1247 CA THR 168 0.0072 25.8865 22.3300
1254 CA LEU 169 0.0077 26.1315 25.4500
1262 CA ALA 170 0.0071 25.8404 24.7300
1267 CA GLU 171 0.0058 25.2093 26.4400
1276 CA GLN 172 0.0085 26.4756 29.2100
1285 CA ALA 173 0.0111 27.7235 31.7900
1290 CA ALA 174 0.0100 27.2159 25.4100
1295 CA TRP 175 0.0105 27.4656 30.6300
1309 CA LYS 176 0.0300 36.7301 36.7400
1316 CA TYR 177 0.0206 32.2509 42.9800
1328 CA ALA 178 0.0207 32.2840 39.0600
1333 CA LYS 179 0.0488 45.6296 52.0600
1338 CA GLU 180 0.0707 56.0229 55.6700
1347 CA ASN 181 0.0582 50.1224 52.7100
1355 CA ASN 182 0.0715 56.4193 57.0300
1359 CA ILE 183 0.0294 36.4345 53.8900
1366 CA ASP 184 0.0107 27.5325 31.8800
1374 CA PHE 185 0.0077 26.0961 29.5700
1385 CA ILE 186 0.0059 25.2699 25.6600
1393 CA THR 187 0.0056 25.0980 24.2100
1400 CA ILE 188 0.0042 24.4760 24.4900
1408 CA ILE 189 0.0048 24.7371 16.9100
1416 CA PRO 190 0.0049 24.7710 20.6300
1423 CA THR 191 0.0055 25.0495 26.4000
1430 CA LEU 192 0.0065 25.5455 21.3900
1438 CA VAL 193 0.0061 25.3587 23.2800
1445 CA VAL 194 0.0064 25.4928 23.0200
1452 CA GLY 195 0.0068 25.7028 19.8400
1456 CA PRO 196 0.0087 26.6137 27.6300
1463 CA PHE 197 0.0105 27.4340 28.9400
1474 CA ILE 198 0.0118 28.0516 29.2100
1482 CA MET 199 0.0129 28.5714 28.6500
1490 CA SER 200 0.0215 32.6711 33.6500
1496 CA SER 201 0.0255 34.5744 33.6400
1502 CA MET 202 0.0178 30.9202 30.0900
1510 CA PRO 203 0.0155 29.8176 29.8700
1517 CA PRO 204 0.0150 29.5653 27.2000
1524 CA SER 205 0.0120 28.1427 25.2900
1530 CA LEU 206 0.0094 26.9434 25.8200
1538 CA ILE 207 0.0129 28.5772 29.2000
1546 CA THR 208 0.0105 27.4499 26.3100
1553 CA ALA 209 0.0082 26.3465 23.6400
1558 CA LEU 210 0.0089 26.6933 32.1100
1566 CA SER 211 0.0113 27.8110 33.4700
1572 CA PRO 212 0.0125 28.4028 34.0600
1579 CA ILE 213 0.0143 29.2606 37.2100
1587 CA THR 214 0.0244 34.0471 35.8600
1594 CA GLY 215 0.0279 35.7010 38.5200
1598 CA ASN 216 0.0265 35.0307 41.0100
1606 CA GLU 217 0.0318 37.5469 37.8000
1615 CA ALA 218 0.0255 34.5614 33.3700
1620 CA HIS 219 0.0153 29.7051 34.5400
1630 CA TYR 220 0.0138 29.0351 29.3500
1642 CA SER 221 0.0178 30.9164 31.8900
1648 CA ILE 222 0.0112 27.7894 28.3700
1656 CA ILE 223 0.0085 26.4951 28.7300
1664 CA ARG 224 0.0144 29.3102 32.3600
1675 CA GLN 225 0.0118 28.0413 31.2300
1684 CA GLY 226 0.0080 26.2745 28.6100
1688 CA GLN 227 0.0071 25.8097 21.3400
1697 CA PHE 228 0.0057 25.1481 19.9100
1708 CA VAL 229 0.0059 25.2392 22.3000
1715 CA HIS 230 0.0067 25.6226 23.8000
1725 CA LEU 231 0.0066 25.6182 21.5500
1733 CA ASP 232 0.0080 26.2761 27.2300
1741 CA ASP 233 0.0078 26.1784 27.4500
1749 CA LEU 234 0.0055 25.0705 21.7600
1757 CA CYS 235 0.0055 25.0502 26.8400
1763 CA ASN 236 0.0067 25.6448 28.4000
1771 CA ALA 237 0.0069 25.7452 23.9800
1776 CA HIS 238 0.0050 24.8473 21.8500
1786 CA ILE 239 0.0056 25.1162 30.0400
1794 CA TYR 240 0.0095 26.9593 31.8100
1806 CA LEU 241 0.0071 25.8425 28.1200
1814 CA PHE 242 0.0072 25.8586 28.4900
1825 CA GLU 243 0.0098 27.1339 30.7100
1834 CA ASN 244 0.0182 31.1053 30.7600
1842 CA PRO 245 0.0324 37.8337 38.8800
1849 CA LYS 246 0.0360 39.5728 37.8300
1855 CA ALA 247 0.0143 29.2710 30.8700
1860 CA GLU 248 0.0162 30.1548 32.7100
1869 CA GLY 249 0.0152 29.6628 26.9200
1873 CA ARG 250 0.0063 25.4555 21.7000
1884 CA TYR 251 0.0067 25.6570 22.1500
1896 CA ILE 252 0.0057 25.1824 23.8800
1904 CA CYS 253 0.0058 25.1972 23.6100
1910 CA SER 254 0.0069 25.7596 22.7800
1916 CA SER 255 0.0073 25.9308 27.2700
1922 CA HIS 256 0.0084 26.4644 29.3500
1932 CA ASP 257 0.0090 26.7522 26.6900
1940 CA CYS 258 0.0119 28.1220 30.8500
1946 CA ILE 259 0.0121 28.2103 32.9600
1954 CA ILE 260 0.0121 28.1945 33.4800
1962 CA LEU 261 0.0165 30.3171 41.1900
1970 CA ASP 262 0.0171 30.5846 36.5300
1978 CA LEU 263 0.0111 27.7338 41.1100
1986 CA ALA 264 0.0153 29.7380 43.2100
1991 CA LYS 265 0.0268 35.1977 49.3400
2000 CA MET 266 0.0169 30.4697 43.2300
2008 CA LEU 267 0.0133 28.7815 41.8200
2016 CA ARG 268 0.0217 32.7547 55.0800
2027 CA GLU 269 0.0343 38.7380 61.0400
2034 CA LYS 270 0.0242 33.9713 47.3000
2039 CA TYR 271 0.0208 32.3450 41.6100
2051 CA PRO 272 0.0400 41.4851 43.0000
2058 CA GLU 273 0.0381 40.5642 43.5200
2067 CA TYR 274 0.0262 34.8889 41.8400
2079 CA ASN 275 0.0361 39.5978 43.4900
2087 CA ILE 276 0.0210 32.4303 43.8100
2095 CA PRO 277 0.0268 35.1864 43.9100
2102 CA THR 278 0.0494 45.9473 51.3600
2109 CA GLU 279 0.0505 46.4303 48.5500
2114 CA PHE 280 0.0390 40.9991 44.0800
2125 CA LYS 281 0.0833 62.0302 50.6600
2130 CA GLY 282 0.0937 66.9874 54.5200
2134 CA VAL 283 0.0468 44.6815 51.0800
2141 CA ASP 284 0.0802 60.5760 50.8500
2147 CA GLU 285 0.0900 65.2123 51.2600
2152 CA ASN 286 0.1167 77.8999 46.6100
2160 CA LEU 287 0.0486 45.5312 40.2000
2168 CA LYS 288 0.0279 35.7026 35.6700
2177 CA SER 289 0.0185 31.2327 28.0300
2183 CA VAL 290 0.0112 27.7580 23.2200
2190 CA CYS 291 0.0109 27.6388 26.6700
2196 CA PHE 292 0.0077 26.1187 24.6300
2207 CA SER 293 0.0102 27.2990 24.3500
2213 CA SER 294 0.0114 27.8876 31.5800
2219 CA LYS 295 0.0299 36.6422 28.3400
2228 CA LYS 296 0.0137 28.9903 24.9800
2237 CA LEU 297 0.0105 27.4416 29.0300
2245 CA THR 298 0.0209 32.3847 29.8400
2252 CA ASP 299 0.0405 41.7047 36.5600
2260 CA LEU 300 0.0197 31.8297 35.4600
2268 CA GLY 301 0.0253 34.4851 34.7900
2272 CA PHE 302 0.0172 30.6077 33.6100
2283 CA GLU 303 0.0314 37.3762 33.6900
2292 CA PHE 304 0.0173 30.6614 32.3200
2303 CA LYS 305 0.0256 34.6016 33.2800
2312 CA TYR 306 0.0118 28.0801 29.3100
2324 CA SER 307 0.0126 28.4476 29.5800
2330 CA LEU 308 0.0104 27.3859 31.0800
2338 CA GLU 309 0.0130 28.6238 35.9400
2347 CA ASP 310 0.0128 28.5551 30.4700
2355 CA MET 311 0.0082 26.3529 30.2200
2363 CA PHE 312 0.0084 26.4706 30.2500
2375 CA THR 313 0.0121 28.1994 28.8600
2376 CA THR 313 0.0121 28.1885 35.5400
2388 CA GLY 314 0.0119 28.1187 29.1000
2392 CA ALA 315 0.0097 27.0649 26.3900
2397 CA VAL 316 0.0126 28.4530 31.6600
2404 CA ASP 317 0.0172 30.6126 30.2500
2412 CA THR 318 0.0167 30.3703 27.8300
2419 CA CYS 319 0.0168 30.4532 27.8900
2425 CA ARG 320 0.0248 34.2529 35.4900
2436 CA ALA 321 0.0412 42.0287 32.0600
2441 CA LYS 322 0.0353 39.2430 34.3000
2450 CA GLY 323 0.0531 47.6915 39.2500
2454 CA LEU 324 0.0303 36.8390 39.5600
2462 CA LEU 325 0.0265 35.0368 39.9500
2470 CA PRO 326 0.0500 46.2204 41.1600
2477 CA PRO 327 0.0522 47.2419 40.8300
2484 CA SER 328 0.0437 43.2090 40.4500
2490 CA HIS 329 0.0559 49.0384 42.0500

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.