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
5 CA CYS 35 0.6054
16 CA SER 36 0.2088
27 CA GLN 37 0.0727
44 CA LYS 38 0.0346
74 CA PRO 39 0.0165
80 CA SER 40 0.0216
91 CA ASP 41 0.0226
103 CA LYS 42 0.0298
125 CA HIS 43 0.0196
142 CA LEU 44 0.0133
161 CA ASP 45 0.0175
173 CA ALA 46 0.0170
183 CA ILE 47 0.0105
210 CA PRO 48 0.0120
216 CA ILE 49 0.0167
235 CA LEU 50 0.0139
254 CA TYR 51 0.0096
275 CA TYR 52 0.0141
296 CA ILE 53 0.0175
315 CA ILE 54 0.0130
334 CA PHE 55 0.0120
354 CA VAL 56 0.0185
370 CA ILE 57 0.0186
389 CA GLY 58 0.0119
396 CA PHE 59 0.0134
416 CA LEU 60 0.0194
435 CA VAL 61 0.0158
451 CA ASN 62 0.0117
465 CA ILE 63 0.0154
484 CA VAL 64 0.0184
500 CA VAL 65 0.0138
516 CA VAL 66 0.0120
532 CA THR 67 0.0183
546 CA LEU 68 0.0190
565 CA PHE 69 0.0151
585 CA CYS 70 0.0148
596 CA CYS 71 0.0231
607 CA GLN 72 0.0213
624 CA LYS 73 0.0226
646 CA GLY 74 0.0273
661 CA PRO 75 0.0272
667 CA LYS 76 0.0243
689 CA LYS 77 0.0214
711 CA VAL 78 0.0165
727 CA SER 79 0.0144
738 CA SER 80 0.0137
749 CA ILE 81 0.0112
768 CA TYR 82 0.0102
789 CA ILE 83 0.0103
808 CA PHE 84 0.0098
828 CA ASN 85 0.0076
842 CA LEU 86 0.0069
861 CA ALA 87 0.0077
871 CA VAL 88 0.0069
887 CA ALA 89 0.0047
897 CA ASP 90 0.0049
909 CA LEU 91 0.0057
928 CA LEU 92 0.0046
947 CA LEU 93 0.0035
966 CA LEU 94 0.0048
985 CA ALA 95 0.0053
995 CA THR 96 0.0041
1009 CA LEU 97 0.0054
1036 CA PRO 98 0.0083
1042 CA LEU 99 0.0073
1061 CA TRP 100 0.0060
1085 CA ALA 101 0.0094
1095 CA THR 102 0.0126
1109 CA TYR 103 0.0105
1130 CA TYR 104 0.0107
1151 CA SER 105 0.0175
1162 CA TYR 106 0.0219
1183 CA ARG 107 0.0186
1207 CA TYR 108 0.0204
1228 CA ASP 109 0.0231
1240 CA TRP 110 0.0184
1264 CA LEU 111 0.0222
1283 CA PHE 112 0.0210
1303 CA GLY 113 0.0246
1318 CA PRO 114 0.0197
1324 CA VAL 115 0.0185
1340 CA MET 116 0.0132
1357 CA CYS 117 0.0106
1367 CA LYS 118 0.0096
1389 CA VAL 119 0.0077
1405 CA PHE 120 0.0057
1425 CA GLY 121 0.0048
1432 CA SER 122 0.0040
1443 CA PHE 123 0.0031
1463 CA LEU 124 0.0022
1482 CA THR 125 0.0024
1496 CA LEU 126 0.0033
1515 CA ASN 127 0.0029
1529 CA MET 128 0.0028
1546 CA PHE 129 0.0037
1566 CA ALA 130 0.0047
1576 CA SER 131 0.0049
1587 CA ILE 132 0.0061
1606 CA PHE 133 0.0074
1626 CA PHE 134 0.0079
1646 CA ILE 135 0.0089
1665 CA THR 136 0.0103
1679 CA CYS 137 0.0112
1690 CA MET 138 0.0116
1707 CA SER 139 0.0131
1718 CA VAL 140 0.0143
1734 CA ASP 141 0.0145
1746 CA ARG 142 0.0155
1770 CA TYR 143 0.0157
1791 CA GLN 144 0.0165
1808 CA SER 145 0.0165
1819 CA VAL 146 0.0162
1835 CA ILE 147 0.0172
1854 CA TYR 148 0.0188
1883 CA PRO 149 0.0193
1889 CA PHE 150 0.0269
1909 CA LEU 151 0.0255
1928 CA SER 152 0.0248
1939 CA GLN 153 0.0194
1956 CA ARG 154 0.0204
1980 CA ARG 155 0.0221
2004 CA ASN 156 0.0305
2026 CA PRO 157 0.0512
2032 CA TRP 158 0.0492
2056 CA GLN 159 0.0222
2073 CA ALA 160 0.0214
2083 CA SER 161 0.0178
2094 CA TYR 162 0.0142
2115 CA ILE 163 0.0110
2134 CA VAL 164 0.0098
2158 CA PRO 165 0.0132
2164 CA LEU 166 0.0118
2183 CA VAL 167 0.0085
2199 CA TRP 168 0.0089
2223 CA CYS 169 0.0132
2234 CA MET 170 0.0098
2251 CA ALA 171 0.0068
2261 CA CYS 172 0.0089
2272 CA LEU 173 0.0084
2291 CA SER 174 0.0053
2302 CA SER 175 0.0044
2313 CA LEU 176 0.0063
2340 CA PRO 177 0.0079
2346 CA THR 178 0.0063
2360 CA PHE 179 0.0075
2380 CA TYR 180 0.0111
2401 CA PHE 181 0.0120
2421 CA ARG 182 0.0107
2445 CA ASP 183 0.0167
2457 CA VAL 184 0.0198
2473 CA ARG 185 0.0302
2497 CA THR 186 0.0394
2511 CA ILE 187 0.0492
2530 CA GLU 188 0.0828
2545 CA TYR 189 0.1077
2566 CA LEU 190 0.0772
2585 CA GLY 191 0.0665
2592 CA VAL 192 0.0418
2608 CA ASN 193 0.0278
2622 CA ALA 194 0.0196
2632 CA CYS 195 0.0130
2642 CA ILE 196 0.0139
2661 CA MET 197 0.0122
2678 CA ALA 198 0.0168
2688 CA PHE 199 0.0192
2716 CA PRO 200 0.0314
2730 CA PRO 201 0.0610
2736 CA GLU 202 0.0672
2751 CA LYS 203 0.0373
2773 CA TYR 204 0.0248
2794 CA ALA 205 0.0239
2804 CA GLN 206 0.0288
2821 CA TRP 207 0.0175
2845 CA SER 208 0.0128
2856 CA ALA 209 0.0129
2866 CA GLY 210 0.0116
2873 CA ILE 211 0.0072
2892 CA ALA 212 0.0070
2902 CA LEU 213 0.0087
2921 CA MET 214 0.0074
2938 CA LYS 215 0.0044
2960 CA ASN 216 0.0058
2974 CA ILE 217 0.0086
2993 CA LEU 218 0.0073
3012 CA GLY 219 0.0053
3019 CA PHE 220 0.0065
3039 CA ILE 221 0.0095
3058 CA ILE 222 0.0107
3085 CA PRO 223 0.0095
3091 CA LEU 224 0.0116
3110 CA ILE 225 0.0154
3129 CA PHE 226 0.0140
3149 CA ILE 227 0.0146
3168 CA ALA 228 0.0185
3178 CA THR 229 0.0202
3192 CA CYS 230 0.0167
3203 CA TYR 231 0.0174
3224 CA PHE 232 0.0207
3244 CA GLY 233 0.0186
3251 CA ILE 234 0.0171
3270 CA ARG 235 0.0193
3294 CA LYS 236 0.0194
3316 CA HIS 237 0.0155
3333 CA LEU 238 0.0168
3352 CA LEU 239 0.0168
3371 CA LYS 240 0.0132
3393 CA THR 241 0.0126
3407 CA ASN 242 0.0156
3421 CA ALA 1001 0.0168
3431 CA ASP 1002 0.0139
3443 CA LEU 1003 0.0097
3462 CA GLU 1004 0.0116
3477 CA ASP 1005 0.0129
3489 CA ASN 1006 0.0080
3503 CA TRP 1007 0.0083
3527 CA GLU 1008 0.0137
3542 CA THR 1009 0.0129
3556 CA LEU 1010 0.0088
3575 CA ASN 1011 0.0156
3589 CA ASP 1012 0.0219
3601 CA ASN 1013 0.0200
3615 CA LEU 1014 0.0186
3634 CA LYS 1015 0.0316
3656 CA VAL 1016 0.0356
3672 CA ILE 1017 0.0321
3691 CA GLU 1018 0.0450
3706 CA LYS 1019 0.0635
3728 CA ALA 1020 0.0611
3738 CA ASP 1021 0.0749
3750 CA ASN 1022 0.0809
3764 CA ALA 1023 0.0682
3774 CA ALA 1024 0.0699
3784 CA GLN 1025 0.0592
3801 CA VAL 1026 0.0416
3817 CA LYS 1027 0.0401
3839 CA ASP 1028 0.0382
3851 CA ALA 1029 0.0251
3861 CA LEU 1030 0.0208
3880 CA THR 1031 0.0227
3894 CA LYS 1032 0.0184
3916 CA MET 1033 0.0105
3933 CA ARG 1034 0.0126
3957 CA ALA 1035 0.0147
3967 CA ALA 1036 0.0087
3977 CA ALA 1037 0.0067
3987 CA LEU 1038 0.0122
4006 CA ASP 1039 0.0103
4018 CA ALA 1040 0.0071
4028 CA GLN 1041 0.0098
4045 CA LYS 1042 0.0115
4067 CA ALA 1043 0.0110
4077 CA THR 1044 0.0145
4099 CA PRO 1045 0.0178
4108 CA ASP 1060 0.0248
4120 CA PHE 1061 0.0194
4140 CA ARG 1062 0.0137
4164 CA HIS 1063 0.0191
4181 CA GLY 1064 0.0171
4188 CA PHE 1065 0.0108
4208 CA ASP 1066 0.0196
4220 CA ILE 1067 0.0248
4239 CA LEU 1068 0.0135
4258 CA VAL 1069 0.0142
4274 CA GLY 1070 0.0254
4281 CA GLN 1071 0.0234
4298 CA ILE 1072 0.0183
4317 CA ASP 1073 0.0276
4329 CA ASP 1074 0.0394
4341 CA ALA 1075 0.0332
4351 CA LEU 1076 0.0366
4370 CA LYS 1077 0.0559
4392 CA LEU 1078 0.0595
4411 CA ALA 1079 0.0545
4421 CA ASN 1080 0.0774
4435 CA GLU 1081 0.0927
4450 CA GLY 1082 0.1135
4457 CA LYS 1083 0.0889
4479 CA VAL 1084 0.0636
4495 CA LYS 1085 0.0653
4517 CA GLU 1086 0.0580
4532 CA ALA 1087 0.0424
4542 CA GLN 1088 0.0391
4559 CA ALA 1089 0.0436
4569 CA ALA 1090 0.0299
4579 CA ALA 1091 0.0247
4589 CA GLU 1092 0.0326
4604 CA GLN 1093 0.0317
4621 CA LEU 1094 0.0185
4640 CA LYS 1095 0.0221
4662 CA THR 1096 0.0303
4676 CA THR 1097 0.0217
4690 CA ARG 1098 0.0168
4714 CA ASN 1099 0.0284
4728 CA ALA 1100 0.0299
4738 CA TYR 1101 0.0201
4759 CA ILE 1102 0.0211
4778 CA GLN 1103 0.0309
4795 CA LYS 1104 0.0252
4817 CA TYR 1105 0.0171
4838 CA LEU 1106 0.0264
4857 CA LYS 246 0.0328
4879 CA ASN 247 0.0214
4893 CA ARG 248 0.0229
4917 CA ILE 249 0.0312
4936 CA THR 250 0.0219
4950 CA ARG 251 0.0208
4974 CA ASP 252 0.0268
4986 CA GLN 253 0.0265
5003 CA VAL 254 0.0193
5019 CA LEU 255 0.0228
5038 CA LYS 256 0.0251
5060 CA MET 257 0.0195
5077 CA ALA 258 0.0196
5087 CA ALA 259 0.0232
5097 CA ALA 260 0.0182
5107 CA VAL 261 0.0151
5123 CA VAL 262 0.0116
5139 CA LEU 263 0.0127
5158 CA ALA 264 0.0111
5168 CA PHE 265 0.0078
5188 CA ILE 266 0.0076
5207 CA ILE 267 0.0089
5226 CA CYS 268 0.0066
5237 CA TRP 269 0.0048
5261 CA LEU 270 0.0066
5288 CA PRO 271 0.0059
5294 CA PHE 272 0.0037
5314 CA HIS 273 0.0045
5331 CA VAL 274 0.0066
5347 CA LEU 275 0.0052
5366 CA THR 276 0.0043
5380 CA PHE 277 0.0068
5400 CA LEU 278 0.0093
5419 CA ASP 279 0.0075
5431 CA ALA 280 0.0090
5441 CA LEU 281 0.0128
5460 CA ALA 282 0.0145
5470 CA TRP 283 0.0166
5494 CA MET 284 0.0320
5511 CA GLY 285 0.0295
5518 CA VAL 286 0.0376
5534 CA ILE 287 0.0326
5553 CA ASN 288 0.0761
5567 CA SER 289 0.0528
5578 CA CYS 290 0.0388
5589 CA GLU 291 0.0380
5604 CA VAL 292 0.0218
5620 CA ILE 293 0.0155
5639 CA ALA 294 0.0230
5649 CA VAL 295 0.0165
5665 CA ILE 296 0.0084
5684 CA ASP 297 0.0082
5696 CA LEU 298 0.0093
5715 CA ALA 299 0.0074
5725 CA LEU 300 0.0041
5752 CA PRO 301 0.0049
5758 CA PHE 302 0.0064
5778 CA ALA 303 0.0052
5788 CA ILE 304 0.0041
5807 CA LEU 305 0.0061
5826 CA LEU 306 0.0069
5845 CA GLY 307 0.0050
5852 CA PHE 308 0.0053
5872 CA THR 309 0.0081
5886 CA ASN 310 0.0077
5900 CA SER 311 0.0063
5911 CA CYS 312 0.0093
5922 CA VAL 313 0.0116
5938 CA ASN 314 0.0094
5960 CA PRO 315 0.0104
5966 CA PHE 316 0.0151
5986 CA LEU 317 0.0170
6005 CA TYR 318 0.0154
6026 CA CYS 319 0.0181
6037 CA PHE 320 0.0323
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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.