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

* 7RE6-AK *

B-factor analysis for ID 22100400203998843

Overall B-factor prediction

Correlation= 0.737 for 348 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 SER 1 0.0254 39.5041 32.0500
12 CA VAL 2 0.0114 24.3291 20.4600
28 CA ASP 3 0.0214 35.2294 18.9700
40 CA GLN 4 0.0227 36.6088 20.3800
57 CA ALA 5 0.0196 33.2795 21.6300
67 CA THR 6 0.0103 23.1733 17.1100
81 CA LEU 7 0.0092 22.0337 17.2200
100 CA ASP 8 0.0135 26.6741 22.0000
112 CA LYS 9 0.0101 22.9627 20.8200
134 CA LEU 10 0.0059 18.3976 17.6200
153 CA GLU 11 0.0082 20.9184 21.0800
168 CA ALA 12 0.0103 23.1440 23.4400
178 CA GLY 13 0.0065 19.1223 23.2400
185 CA PHE 14 0.0061 18.6028 21.9000
205 CA LYS 15 0.0119 24.9004 25.9900
227 CA LYS 16 0.0104 23.2499 27.2800
249 CA LEU 17 0.0076 20.2535 23.9100
268 CA GLN 18 0.0109 23.8802 27.0600
285 CA ASP 19 0.0183 31.8703 32.3100
297 CA ALA 20 0.0160 29.3957 38.6300
307 CA LYS 21 0.0270 41.2516 35.7400
329 CA ASP 22 0.0315 46.1133 44.1600
341 CA CYS 23 0.0134 26.5314 34.4800
352 CA LYS 24 0.0156 28.8639 30.6800
374 CA SER 25 0.0066 19.1775 19.7700
385 CA LEU 26 0.0050 17.4815 16.1300
404 CA LEU 27 0.0039 16.2924 18.9500
423 CA LYS 28 0.0054 17.9124 20.9300
445 CA LYS 29 0.0069 19.5157 19.7600
467 CA TYR 30 0.0050 17.4604 19.7200
488 CA LEU 31 0.0041 16.5221 19.5100
507 CA THR 32 0.0066 19.2252 25.0500
521 CA LYS 33 0.0099 22.7070 21.5100
543 CA GLU 34 0.0112 24.2072 21.4000
558 CA ILE 35 0.0053 17.8063 17.4500
577 CA PHE 36 0.0043 16.7307 17.5900
597 CA ASP 37 0.0076 20.2995 18.7700
609 CA ARG 38 0.0077 20.3556 20.4900
633 CA LEU 39 0.0041 16.4639 18.1500
652 CA LYS 40 0.0046 17.0371 15.8100
674 CA THR 41 0.0068 19.3541 18.0500
688 CA ARG 42 0.0056 18.1233 17.5000
712 CA LYS 43 0.0055 17.9803 19.2400
734 CA THR 44 0.0050 17.4523 15.9100
748 CA ALA 45 0.0115 24.5235 22.4400
758 CA MET 46 0.0072 19.8522 18.5400
775 CA GLY 47 0.0071 19.7748 20.1600
782 CA ALA 48 0.0036 15.8917 16.4900
792 CA THR 49 0.0033 15.6286 16.1600
806 CA LEU 50 0.0024 14.5949 15.1500
825 CA LEU 51 0.0028 15.0799 16.0200
844 CA ASP 52 0.0025 14.6958 14.9000
856 CA VAL 53 0.0017 13.8752 14.1700
872 CA ILE 54 0.0021 14.3569 15.3100
891 CA GLN 55 0.0031 15.3870 17.6300
908 CA SER 56 0.0036 15.9465 16.6000
919 CA GLY 57 0.0043 16.6736 17.6200
926 CA VAL 58 0.0049 17.3115 19.0300
942 CA GLU 59 0.0071 19.7597 21.6200
957 CA ASN 60 0.0080 20.6715 20.6700
971 CA LEU 61 0.0090 21.7639 22.6600
990 CA ASP 62 0.0120 24.9939 22.9900
1002 CA SER 63 0.0079 20.5542 20.7200
1013 CA GLY 64 0.0089 21.6281 18.1500
1020 CA VAL 65 0.0044 16.7499 17.5800
1036 CA GLY 66 0.0035 15.8731 18.0000
1043 CA VAL 67 0.0020 14.1575 16.5600
1059 CA TYR 68 0.0018 13.9537 12.6000
1080 CA ALA 69 0.0015 13.6904 14.4400
1090 CA PRO 70 0.0016 13.7540 14.9100
1104 CA ASP 71 0.0019 14.1186 14.9500
1116 CA ALA 72 0.0021 14.2715 15.2800
1126 CA GLU 73 0.0036 15.9853 15.1900
1141 CA SER 74 0.0022 14.4220 12.6100
1152 CA TYR 75 0.0020 14.1886 12.6900
1173 CA THR 76 0.0033 15.5740 14.1100
1187 CA VAL 77 0.0036 15.9336 13.6900
1203 CA PHE 78 0.0027 14.9612 14.4600
1223 CA ALA 79 0.0032 15.5541 13.3200
1233 CA ASP 80 0.0038 16.1541 16.2100
1245 CA LEU 81 0.0023 14.5268 14.4700
1264 CA PHE 82 0.0022 14.4523 14.9100
1284 CA ASP 83 0.0036 15.9497 14.8700
1296 CA PRO 84 0.0044 16.7640 14.3000
1310 CA VAL 85 0.0033 15.5980 13.7600
1326 CA ILE 86 0.0033 15.5934 14.3800
1345 CA GLU 87 0.0059 18.4403 16.8700
1360 CA ASP 88 0.0071 19.6943 15.2900
1372 CA TYR 89 0.0050 17.4408 15.3300
1393 CA HIS 90 0.0049 17.3671 17.3300
1410 CA GLY 91 0.0133 26.4412 25.3900
1417 CA GLY 92 0.0131 26.2541 21.3100
1424 CA PHE 93 0.0072 19.8418 18.8900
1444 CA LYS 94 0.0094 22.2205 19.3100
1466 CA PRO 95 0.0094 22.1809 18.8800
1480 CA THR 96 0.0168 30.2400 21.3400
1494 CA ASP 97 0.0090 21.7307 15.6600
1506 CA LYS 98 0.0068 19.3554 16.1300
1528 CA HIS 99 0.0038 16.1711 14.5300
1545 CA PRO 100 0.0047 17.0825 17.1200
1559 CA PRO 101 0.0065 19.0853 16.6600
1573 CA THR 102 0.0040 16.3692 17.9400
1587 CA ASP 103 0.0033 15.6268 16.9400
1599 CA PHE 104 0.0026 14.8993 16.3600
1619 CA GLY 105 0.0050 17.4580 21.7000
1626 CA ASP 106 0.0084 21.1300 24.5700
1638 CA MET 107 0.0054 17.8343 22.6200
1655 CA ASN 108 0.0106 23.5319 23.8300
1669 CA THR 109 0.0067 19.3368 20.0200
1683 CA ILE 110 0.0038 16.1251 18.6800
1702 CA VAL 111 0.0044 16.7787 16.7800
1718 CA ASN 112 0.0045 16.9294 17.6900
1732 CA VAL 113 0.0039 16.2466 16.0400
1748 CA ASP 114 0.0055 17.9523 17.5000
1760 CA PRO 115 0.0160 29.3762 22.5900
1774 CA GLU 116 0.0198 33.4685 21.7700
1789 CA ASN 117 0.0123 25.2913 20.5000
1803 CA LYS 118 0.0135 26.6900 16.8400
1825 CA TYR 119 0.0072 19.8115 16.3900
1846 CA VAL 120 0.0055 17.9428 17.1200
1862 CA VAL 121 0.0072 19.8012 17.3800
1878 CA SER 122 0.0055 18.0149 15.7500
1889 CA THR 123 0.0024 14.6886 15.8400
1903 CA ARG 124 0.0020 14.2269 16.2100
1927 CA VAL 125 0.0016 13.7367 16.2000
1943 CA ARG 126 0.0017 13.9105 15.1100
1967 CA CYS 127 0.0016 13.8086 13.6900
1978 CA GLY 128 0.0016 13.7417 14.5300
1985 CA ARG 129 0.0015 13.6417 14.1200
2009 CA SER 130 0.0016 13.7228 14.2600
2020 CA LEU 131 0.0022 14.4403 14.6900
2039 CA GLN 132 0.0035 15.7944 19.1500
2056 CA GLY 133 0.0039 16.2725 19.5800
2063 CA TYR 134 0.0030 15.2945 17.9800
2084 CA PRO 135 0.0022 14.4671 14.3000
2098 CA PHE 136 0.0019 14.0557 14.3700
2118 CA ASN 137 0.0019 14.0467 15.7100
2132 CA PRO 138 0.0021 14.3469 14.6100
2146 CA CYS 139 0.0027 15.0060 16.4600
2157 CA LEU 140 0.0028 15.0289 16.4700
2176 CA THR 141 0.0062 18.7664 19.0600
2190 CA GLU 142 0.0065 19.0709 20.3200
2205 CA ALA 143 0.0075 20.1677 18.5600
2215 CA GLN 144 0.0046 17.0531 18.2100
2232 CA TYR 145 0.0034 15.7137 16.3700
2253 CA LYS 146 0.0054 17.8520 17.0300
2275 CA GLU 147 0.0046 17.0005 18.0800
2290 CA MET 148 0.0028 15.0769 19.6600
2307 CA GLU 149 0.0026 14.8505 18.3500
2322 CA ASP 150 0.0037 16.0210 21.2600
2334 CA LYS 151 0.0031 15.3914 18.4500
2356 CA VAL 152 0.0022 14.3994 16.3400
2372 CA SER 153 0.0028 15.0489 18.8700
2384 CA SER 154 0.0040 16.3769 21.7300
2385 CA SER 154 0.0040 16.3774 21.7300
2405 CA GLN 155 0.0029 15.2274 19.1500
2423 CA LEU 156 0.0024 14.6366 18.9300
2442 CA LYS 157 0.0040 16.3625 21.8400
2464 CA GLY 158 0.0056 18.0850 21.0400
2471 CA MET 159 0.0054 17.8794 22.2000
2488 CA THR 160 0.0097 22.5379 21.3900
2502 CA GLY 161 0.0172 30.6542 23.4700
2509 CA ASP 162 0.0072 19.8121 21.9100
2521 CA LEU 163 0.0036 15.8979 18.4100
2540 CA LYS 164 0.0051 17.5343 19.0800
2562 CA GLY 165 0.0039 16.3122 17.6400
2569 CA THR 166 0.0036 15.9698 18.6600
2583 CA TYR 167 0.0027 14.9129 15.1300
2604 CA TYR 168 0.0031 15.3423 15.4700
2625 CA PRO 169 0.0036 15.9612 14.2500
2639 CA LEU 170 0.0038 16.1384 14.2100
2658 CA THR 171 0.0072 19.8658 14.5300
2672 CA GLY 172 0.0232 37.1647 17.3200
2679 CA MET 173 0.0111 24.0731 15.4800
2696 CA ASP 174 0.0190 32.6304 18.7700
2708 CA LYS 175 0.0252 39.2835 18.0600
2730 CA LYS 176 0.0241 38.1214 15.7500
2752 CA THR 177 0.0106 23.4672 17.9600
2766 CA GLN 178 0.0096 22.4153 18.7300
2783 CA GLN 179 0.0142 27.4253 18.2800
2800 CA GLN 180 0.0114 24.3993 18.2500
2817 CA LEU 181 0.0066 19.2128 14.7100
2836 CA ILE 182 0.0103 23.2238 18.6800
2855 CA ASP 183 0.0151 28.3859 23.5800
2867 CA ASP 184 0.0107 23.6351 23.5900
2879 CA HIS 185 0.0116 24.5455 20.3400
2896 CA PHE 186 0.0052 17.6912 16.3500
2916 CA LEU 187 0.0049 17.3677 14.2300
2935 CA PHE 188 0.0046 17.0568 17.2100
2955 CA LYS 189 0.0071 19.6943 24.3200
2977 CA GLU 190 0.0068 19.3611 23.3300
2992 CA GLY 191 0.0079 20.6324 20.8200
2999 CA ASP 192 0.0125 25.5104 17.5700
3011 CA ARG 193 0.0115 24.4611 17.4000
3035 CA PHE 194 0.0070 19.5619 18.4300
3055 CA LEU 195 0.0046 17.0432 16.7000
3074 CA GLN 196 0.0055 18.0115 18.8400
3091 CA ALA 197 0.0050 17.4529 16.5300
3101 CA ALA 198 0.0033 15.6480 15.8400
3111 CA ASN 199 0.0035 15.7970 14.9400
3125 CA ALA 200 0.0030 15.3386 17.1200
3135 CA CYS 201 0.0043 16.7145 16.4600
3146 CA ARG 202 0.0048 17.1874 16.2100
3170 CA TYR 203 0.0061 18.6570 16.6000
3191 CA TRP 204 0.0054 17.9243 19.4500
3215 CA PRO 205 0.0051 17.5172 17.9400
3229 CA THR 206 0.0046 17.0609 15.0000
3243 CA GLY 207 0.0028 15.0976 16.0300
3250 CA ARG 208 0.0026 14.8946 15.2100
3274 CA GLY 209 0.0022 14.4321 16.1100
3281 CA ILE 210 0.0021 14.2900 12.3300
3300 CA TYR 211 0.0021 14.3199 13.7300
3321 CA HIS 212 0.0025 14.7382 15.1200
3338 CA ASN 213 0.0034 15.7686 16.5400
3352 CA ASP 214 0.0060 18.5120 21.7500
3364 CA ALA 215 0.0057 18.1872 20.6900
3374 CA LYS 216 0.0046 16.9706 15.9700
3396 CA THR 217 0.0032 15.4586 14.9900
3410 CA PHE 218 0.0022 14.4459 14.8900
3430 CA LEU 219 0.0018 13.9830 15.8400
3449 CA VAL 220 0.0015 13.6514 15.3300
3465 CA TRP 221 0.0015 13.7150 11.3800
3489 CA VAL 222 0.0015 13.6126 12.1000
3505 CA ASN 223 0.0017 13.8529 13.9900
3519 CA GLU 224 0.0020 14.1865 15.2800
3534 CA GLU 225 0.0017 13.9318 17.5900
3549 CA ASP 226 0.0015 13.6098 12.6800
3561 CA HIS 227 0.0013 13.4675 14.3000
3578 CA LEU 228 0.0013 13.4848 11.9800
3597 CA ARG 229 0.0015 13.6280 12.9100
3621 CA ILE 230 0.0014 13.5475 13.1200
3640 CA ILE 231 0.0018 13.9573 14.9300
3659 CA SER 232 0.0019 14.0461 16.3100
3670 CA MET 233 0.0027 14.9770 16.3400
3687 CA GLN 234 0.0036 15.9162 20.4800
3704 CA GLN 235 0.0092 21.9688 15.6100
3721 CA GLY 236 0.0070 19.5876 17.0000
3728 CA GLY 237 0.0039 16.2993 16.4800
3735 CA ASP 238 0.0035 15.8606 15.6700
3747 CA LEU 239 0.0024 14.6287 14.4600
3766 CA LYS 240 0.0032 15.4984 17.4000
3788 CA GLN 241 0.0033 15.6486 15.5200
3805 CA VAL 242 0.0024 14.6425 13.5500
3821 CA TYR 243 0.0021 14.2679 13.7600
3842 CA SER 244 0.0027 14.9181 16.2600
3853 CA ARG 245 0.0023 14.5537 17.0300
3877 CA MET 246 0.0019 14.0444 16.4200
3894 CA VAL 247 0.0022 14.4532 16.8700
3910 CA SER 248 0.0025 14.7900 17.6200
3921 CA GLY 249 0.0019 14.0944 15.7300
3928 CA VAL 250 0.0018 14.0240 16.1800
3944 CA LYS 251 0.0033 15.6275 17.1900
3966 CA GLU 252 0.0033 15.6062 19.1900
3981 CA ILE 253 0.0021 14.3508 16.6100
4000 CA GLU 254 0.0028 15.0929 18.9500
4015 CA LYS 255 0.0080 20.6639 23.5700
4037 CA LYS 256 0.0078 20.4572 25.7900
4059 CA LEU 257 0.0033 15.6305 19.0100
4078 CA PRO 258 0.0043 16.6487 17.2000
4092 CA PHE 259 0.0022 14.3995 16.8800
4112 CA SER 260 0.0025 14.7154 16.7900
4123 CA ARG 261 0.0033 15.5732 13.8700
4147 CA ASP 262 0.0032 15.5351 14.2000
4159 CA ASP 263 0.0070 19.5733 17.2400
4171 CA ARG 264 0.0049 17.3035 14.2000
4195 CA LEU 265 0.0025 14.7424 14.5800
4214 CA GLY 266 0.0026 14.8566 14.7300
4221 CA PHE 267 0.0019 14.0440 12.6100
4241 CA LEU 268 0.0019 14.1207 13.9700
4260 CA THR 269 0.0016 13.7679 14.8100
4274 CA PHE 270 0.0015 13.6332 13.6600
4294 CA CYS 271 0.0021 14.3071 14.2600
4305 CA PRO 272 0.0021 14.2970 12.7400
4319 CA THR 273 0.0026 14.8832 15.9700
4333 CA ASN 274 0.0022 14.4425 14.6900
4347 CA LEU 275 0.0020 14.2557 13.8800
4366 CA GLY 276 0.0022 14.3674 14.2300
4373 CA THR 277 0.0020 14.2182 12.0200
4387 CA THR 278 0.0020 14.1673 13.9000
4401 CA ILE 279 0.0020 14.1574 13.7400
4420 CA ARG 280 0.0021 14.2619 17.7100
4444 CA ALA 281 0.0019 14.1091 18.9500
4454 CA SER 282 0.0023 14.5802 19.3100
4465 CA VAL 283 0.0035 15.8010 14.8800
4481 CA HIS 284 0.0055 18.0050 16.2500
4498 CA ILE 285 0.0060 18.4947 15.3900
4517 CA LYS 286 0.0090 21.7649 17.0500
4539 CA LEU 287 0.0094 22.2362 20.5400
4558 CA PRO 288 0.0149 28.1501 25.6700
4572 CA LYS 289 0.0169 30.3439 21.5300
4594 CA LEU 290 0.0131 26.2379 21.6400
4613 CA ALA 291 0.0167 30.1366 32.6200
4623 CA ALA 292 0.0273 41.5686 36.6100
4633 CA ASP 293 0.0229 36.7770 39.4000
4645 CA LYS 294 0.0192 32.7987 42.0700
4667 CA ALA 295 0.0242 38.1635 49.3100
4677 CA LYS 296 0.0180 31.4868 38.8200
4699 CA LEU 297 0.0111 24.0162 32.7600
4718 CA ASP 298 0.0131 26.2571 44.4100
4730 CA SER 299 0.0143 27.5553 41.1500
4741 CA ILE 300 0.0096 22.4079 26.7300
4760 CA ALA 301 0.0066 19.2292 24.7500
4770 CA ALA 302 0.0099 22.7768 29.3500
4780 CA LYS 303 0.0114 24.3408 25.7300
4802 CA TYR 304 0.0065 19.0753 23.9100
4823 CA ASN 305 0.0060 18.4956 21.5600
4837 CA LEU 306 0.0049 17.2892 19.5000
4856 CA GLN 307 0.0070 19.6264 24.9700
4873 CA VAL 308 0.0079 20.6229 22.5400
4889 CA ARG 309 0.0135 26.6652 28.9600
4913 CA GLY 310 0.0185 32.0053 44.1600
4920 CA THR 311 0.0319 46.5232 55.2600
4934 CA ALA 321 0.0164 29.7836 41.5000
4943 CA VAL 322 0.0124 25.5012 33.1800
4959 CA TYR 323 0.0085 21.2287 22.0300
4980 CA ASP 324 0.0071 19.7533 19.6600
4992 CA ILE 325 0.0042 16.5592 19.0800
5011 CA SER 326 0.0037 16.0734 19.6800
5022 CA ASN 327 0.0029 15.1775 18.0000
5036 CA LYS 328 0.0047 17.0921 20.5000
5058 CA ARG 329 0.0031 15.3842 16.4800
5082 CA ARG 330 0.0027 15.0069 16.7500
5106 CA MET 331 0.0029 15.2238 16.4100
5123 CA GLY 332 0.0035 15.8314 16.0500
5130 CA LEU 333 0.0035 15.8061 17.2600
5149 CA THR 334 0.0031 15.4074 15.3000
5163 CA GLU 335 0.0024 14.6118 13.3100
5178 CA TYR 336 0.0025 14.7116 17.5400
5199 CA GLN 337 0.0031 15.3743 17.0100
5216 CA ALA 338 0.0023 14.5701 17.7700
5226 CA VAL 339 0.0019 14.1484 15.2900
5242 CA ARG 340 0.0026 14.8782 19.5800
5266 CA GLU 341 0.0026 14.8583 24.2500
5281 CA MET 342 0.0020 14.2021 17.8700
5298 CA GLN 343 0.0025 14.7480 16.7200
5315 CA ASP 344 0.0034 15.7079 15.5400
5327 CA GLY 345 0.0034 15.7696 17.7200
5334 CA ILE 346 0.0029 15.1690 16.6100
5353 CA GLN 347 0.0043 16.6732 15.6600
5370 CA GLU 348 0.0060 18.5588 17.0000
5385 CA LEU 349 0.0055 17.9540 19.0800
5404 CA ILE 350 0.0060 18.4911 16.5200
5423 CA LYS 351 0.0110 23.9086 16.5700
5445 CA LEU 352 0.0111 24.0512 19.0700
5464 CA GLU 353 0.0109 23.8641 18.9700
5479 CA GLN 354 0.0144 27.5851 20.5500
5496 CA ALA 355 0.0232 37.0976 29.4000
5506 CA ALA 356 0.0236 37.5606 27.4900

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.