| Chain sequence(s) |
A: MAISKEQIFAVADELDAAGQNPTLANVRKQLGSGSFTTISEAMNEWRARKASQAAPIREPAPQAITDKLAELGGDLWAVALEMANNRLAAEREALEAVRQETEAARQEAAELADQLTGELDEAKARVAALEAVEAAAKGEADELRGKLAATSERAATAEARAGELRTELDHAHQEARQARAERDKAQERATASADQVEALRADLAAANSRTAEIERRAGELRADLERANQATDQARAAQAEQRKAEVAAAERDQVRAELVKVQAKAEAAEQAHQEQRKAMAAEAHRQAERLTAAQGERDQAKRDAAQAREEAAGLRGRLEALETVMAQGRAADPTSGGRKKT
C: MKQRLLVMNGQRIVQAEKDGAWTNQKVDKAGALKPGIYNLYTAQAADKKQTHAGVIVHADATNVYQQIGKNFVMHARSDFDKVPEIGSAKSISYNAQGKAAVAAEAPKLTRGRSM B: MAISKEQIFAVADELDAAGQNPTLANVRKQLGSGSFTTISEAMNEWRARKASQAAPIREPAPQAITDKLAELGGDLWAVALEMANNRLAAEREALEAVRQETEAARQEAAELADQLTGELDEAKARVAALEAVEAAAKGEADELRGKLAATSERAATAEARAGELRTELDHAHQEARQARAERDKAQERATASADQVEALRADLAAANSRTAEIERRAGELRADLERANQATDQARAAQAEQRKAEVAAAERDQVRAELVKVQAKAEAAEQAHQEQRKAMAAEAHRQAERLTAAQGERDQAKRDAAQAREEAAGLRGRLEALETVMAQGRAADPTSGGRKKT D: MKRLTIPGSGTESRATKPARVSAPATLGGAAFGASREDTGADLLEAAQAAEIEQQATLEAAPVEQSYPETLALYVQARARPGGHIEDRLENLIDRQQARLQQTQASAPGRLSLPGSKRAWQNQQAQQQARLQTLHARLEAVREIKEGMGLHSPKIEELATRKMRAENPELASDWDAMREAARRHELLMRKQEQERKQSQAQERPGRSQSLGLSARPA input PDB |
| Selected Chain(s) | A,C,B,D |
| Distance of aggregation | 10 Å |
| FoldX usage | Yes |
| Dynamic mode | No |
| Automated mutations | No |
| Downloads | Download all the data |
| Simulation log |
[INFO] Logger: Verbosity set to: 2 - [INFO] (00:00:01)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:01)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with all chain(s) selected (00:00:01)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:01)
[INFO] FoldX: Starting FoldX energy minimalization (00:00:01)
[INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:37:47)
[INFO] Main: Simulation completed successfully. (00:38:06)
|
The table below lists A3D score for protein residues. Residues with A3D score > 0.0000 are marked by yellow rows.
| residue index | residue name | chain | Aggrescan3D score | mutation |
|---|---|---|---|---|
| residue index | residue name | chain | Aggrescan3D score | |
| 1 | M | A | 1.1019 | |
| 2 | A | A | 0.5107 | |
| 3 | I | A | -0.3720 | |
| 4 | S | A | -1.1152 | |
| 5 | K | A | -2.3701 | |
| 6 | E | A | -2.5421 | |
| 7 | Q | A | -2.0009 | |
| 8 | I | A | 0.0000 | |
| 9 | F | A | -2.0381 | |
| 10 | A | A | -1.8038 | |
| 11 | V | A | -2.0405 | |
| 12 | A | A | 0.0000 | |
| 13 | D | A | -3.1460 | |
| 14 | E | A | -2.7428 | |
| 15 | L | A | -2.3311 | |
| 16 | D | A | -2.4369 | |
| 17 | A | A | -1.7213 | |
| 18 | A | A | -1.4912 | |
| 19 | G | A | -1.7852 | |
| 20 | Q | A | -2.2960 | |
| 21 | N | A | -2.0969 | |
| 22 | P | A | -1.9689 | |
| 23 | T | A | -0.8406 | |
| 24 | L | A | -0.5080 | |
| 25 | A | A | -0.7583 | |
| 26 | N | A | -1.6903 | |
| 27 | V | A | 0.0000 | |
| 28 | R | A | -2.1086 | |
| 29 | K | A | -2.9872 | |
| 30 | Q | A | -2.4237 | |
| 31 | L | A | -1.7122 | |
| 32 | G | A | -1.7891 | |
| 33 | S | A | -0.8087 | |
| 34 | G | A | -0.0826 | |
| 35 | S | A | 0.5395 | |
| 36 | F | A | 1.3721 | |
| 37 | T | A | 0.3323 | |
| 38 | T | A | -0.3739 | |
| 39 | I | A | 0.0000 | |
| 40 | S | A | -0.9800 | |
| 41 | E | A | -2.5025 | |
| 42 | A | A | 0.0000 | |
| 43 | M | A | 0.0000 | |
| 44 | N | A | -3.0899 | |
| 45 | E | A | -3.2225 | |
| 46 | W | A | 0.0000 | |
| 47 | R | A | -3.8534 | |
| 48 | A | A | -2.7829 | |
| 49 | R | A | -3.4637 | |
| 50 | K | A | -3.3104 | |
| 51 | A | A | -2.0255 | |
| 52 | S | A | -1.9160 | |
| 53 | Q | A | -2.2834 | |
| 54 | A | A | -0.7657 | |
| 55 | A | A | -0.2214 | |
| 56 | P | A | -0.2773 | |
| 57 | I | A | 0.3658 | |
| 58 | R | A | -1.9018 | |
| 59 | E | A | -2.2560 | |
| 60 | P | A | -1.5849 | |
| 61 | A | A | -1.3962 | |
| 62 | P | A | -1.3225 | |
| 63 | Q | A | -1.9371 | |
| 64 | A | A | -1.4558 | |
| 65 | I | A | -1.2938 | |
| 66 | T | A | -1.7613 | |
| 67 | D | A | -3.0811 | |
| 68 | K | A | -2.7784 | |
| 69 | L | A | -1.6808 | |
| 70 | A | A | -1.8204 | |
| 71 | E | A | -2.8929 | |
| 72 | L | A | -1.2586 | |
| 73 | G | A | 0.0000 | |
| 74 | G | A | -1.3395 | |
| 75 | D | A | -1.6069 | |
| 76 | L | A | -0.2200 | |
| 77 | W | A | 0.2139 | |
| 78 | A | A | -0.0170 | |
| 79 | V | A | 0.0362 | |
| 80 | A | A | 0.0000 | |
| 81 | L | A | 0.2400 | |
| 82 | E | A | -0.9483 | |
| 83 | M | A | 0.0000 | |
| 84 | A | A | 0.0000 | |
| 85 | N | A | -1.7900 | |
| 86 | N | A | -1.4353 | |
| 87 | R | A | -1.6580 | |
| 88 | L | A | -2.0002 | |
| 89 | A | A | -1.4557 | |
| 90 | A | A | -1.5917 | |
| 91 | E | A | -2.4279 | |
| 92 | R | A | -3.0815 | |
| 93 | E | A | -3.2058 | |
| 94 | A | A | -2.2468 | |
| 95 | L | A | 0.0000 | |
| 96 | E | A | -3.7874 | |
| 97 | A | A | -2.7375 | |
| 98 | V | A | -3.0372 | |
| 99 | R | A | -3.8393 | |
| 100 | Q | A | -3.8945 | |
| 101 | E | A | -3.9132 | |
| 102 | T | A | 0.0000 | |
| 103 | E | A | -3.9996 | |
| 104 | A | A | -2.9848 | |
| 105 | A | A | -3.1031 | |
| 106 | R | A | -3.5404 | |
| 107 | Q | A | -3.0883 | |
| 108 | E | A | -2.4954 | |
| 109 | A | A | -2.1931 | |
| 110 | A | A | -1.9742 | |
| 111 | E | A | -2.6864 | |
| 112 | L | A | 0.0000 | |
| 113 | A | A | -1.5895 | |
| 114 | D | A | -2.7685 | |
| 115 | Q | A | -2.1618 | |
| 116 | L | A | 0.0000 | |
| 117 | T | A | -2.2004 | |
| 118 | G | A | -2.6767 | |
| 119 | E | A | -2.9930 | |
| 120 | L | A | -3.2903 | |
| 121 | D | A | -3.7218 | |
| 122 | E | A | -4.0216 | |
| 123 | A | A | 0.0000 | |
| 124 | K | A | -3.9606 | |
| 125 | A | A | -2.5667 | |
| 126 | R | A | -3.2919 | |
| 127 | V | A | -2.2926 | |
| 128 | A | A | -0.8404 | |
| 129 | A | A | -0.6885 | |
| 130 | L | A | 0.0000 | |
| 131 | E | A | -0.8846 | |
| 132 | A | A | -0.2655 | |
| 133 | V | A | -0.1632 | |
| 134 | E | A | -1.0485 | |
| 135 | A | A | -0.7622 | |
| 136 | A | A | -0.8892 | |
| 137 | A | A | 0.0000 | |
| 138 | K | A | -2.8287 | |
| 139 | G | A | -2.6886 | |
| 140 | E | A | -3.2552 | |
| 141 | A | A | 0.0000 | |
| 142 | D | A | -4.2887 | |
| 143 | E | A | -4.2196 | |
| 144 | L | A | 0.0000 | |
| 145 | R | A | -3.8092 | |
| 146 | G | A | -2.8661 | |
| 147 | K | A | -2.6102 | |
| 148 | L | A | -2.2360 | |
| 149 | A | A | -1.6699 | |
| 150 | A | A | -1.6641 | |
| 151 | T | A | -2.0912 | |
| 152 | S | A | -2.0105 | |
| 153 | E | A | -2.8363 | |
| 154 | R | A | -3.0525 | |
| 155 | A | A | 0.0000 | |
| 156 | A | A | -1.8704 | |
| 157 | T | A | -1.9565 | |
| 158 | A | A | 0.0000 | |
| 159 | E | A | -2.4612 | |
| 160 | A | A | -2.0066 | |
| 161 | R | A | -3.4114 | |
| 162 | A | A | 0.0000 | |
| 163 | G | A | -2.7862 | |
| 164 | E | A | -3.5589 | |
| 165 | L | A | -4.0206 | |
| 166 | R | A | -4.1763 | |
| 167 | T | A | -3.2448 | |
| 168 | E | A | -3.8529 | |
| 169 | L | A | 0.0000 | |
| 170 | D | A | -3.4351 | |
| 171 | H | A | -3.6831 | |
| 172 | A | A | 0.0000 | |
| 173 | H | A | -3.5655 | |
| 174 | Q | A | -4.1321 | |
| 175 | E | A | -4.5647 | |
| 176 | A | A | 0.0000 | |
| 177 | R | A | -4.1748 | |
| 178 | Q | A | -3.8530 | |
| 179 | A | A | 0.0000 | |
| 180 | R | A | -4.0487 | |
| 181 | A | A | -2.8927 | |
| 182 | E | A | -3.3985 | |
| 183 | R | A | -4.3021 | |
| 184 | D | A | -3.9115 | |
| 185 | K | A | -3.8741 | |
| 186 | A | A | 0.0000 | |
| 187 | Q | A | -4.3777 | |
| 188 | E | A | -4.1054 | |
| 189 | R | A | -4.1272 | |
| 190 | A | A | 0.0000 | |
| 191 | T | A | -2.3758 | |
| 192 | A | A | -2.1788 | |
| 193 | S | A | -2.3880 | |
| 194 | A | A | -2.1868 | |
| 195 | D | A | -3.0125 | |
| 196 | Q | A | -2.6346 | |
| 197 | V | A | -2.9830 | |
| 198 | E | A | -3.3596 | |
| 199 | A | A | -2.4531 | |
| 200 | L | A | 0.0000 | |
| 201 | R | A | -3.5820 | |
| 202 | A | A | -2.1999 | |
| 203 | D | A | -2.8062 | |
| 204 | L | A | -2.6734 | |
| 205 | A | A | -1.5907 | |
| 206 | A | A | -1.6854 | |
| 207 | A | A | 0.0000 | |
| 208 | N | A | -2.5615 | |
| 209 | S | A | -2.0152 | |
| 210 | R | A | -2.8605 | |
| 211 | T | A | -3.1234 | |
| 212 | A | A | -2.1791 | |
| 213 | E | A | -2.6944 | |
| 214 | I | A | -3.5737 | |
| 215 | E | A | -3.7943 | |
| 216 | R | A | -3.9921 | |
| 217 | R | A | -3.9186 | |
| 218 | A | A | 0.0000 | |
| 219 | G | A | -3.4331 | |
| 220 | E | A | -4.1471 | |
| 221 | L | A | -4.1168 | |
| 222 | R | A | -4.3774 | |
| 223 | A | A | -3.5970 | |
| 224 | D | A | -4.1635 | |
| 225 | L | A | -4.4696 | |
| 226 | E | A | -4.3715 | |
| 227 | R | A | -4.2717 | |
| 228 | A | A | -3.9795 | |
| 229 | N | A | -3.7002 | |
| 230 | Q | A | -3.5375 | |
| 231 | A | A | -2.8268 | |
| 232 | T | A | -3.2489 | |
| 233 | D | A | -2.7649 | |
| 234 | Q | A | -2.6449 | |
| 235 | A | A | -2.9134 | |
| 236 | R | A | -3.3560 | |
| 237 | A | A | -2.2130 | |
| 238 | A | A | -2.5160 | |
| 239 | Q | A | -3.2975 | |
| 240 | A | A | -2.9997 | |
| 241 | E | A | -3.3582 | |
| 242 | Q | A | -3.7954 | |
| 243 | R | A | -3.7946 | |
| 244 | K | A | -3.1812 | |
| 245 | A | A | -2.2570 | |
| 246 | E | A | 0.0000 | |
| 247 | V | A | -2.0442 | |
| 248 | A | A | -2.2157 | |
| 249 | A | A | 0.0000 | |
| 250 | A | A | 0.0000 | |
| 251 | E | A | -4.5097 | |
| 252 | R | A | -5.2177 | |
| 253 | D | A | -4.7557 | |
| 254 | Q | A | -4.5484 | |
| 255 | V | A | 0.0000 | |
| 256 | R | A | -3.5720 | |
| 257 | A | A | -2.1469 | |
| 258 | E | A | -2.1144 | |
| 259 | L | A | -1.4803 | |
| 260 | V | A | -0.0629 | |
| 261 | K | A | -1.7551 | |
| 262 | V | A | 0.0000 | |
| 263 | Q | A | -1.6290 | |
| 264 | A | A | -1.7837 | |
| 265 | K | A | -3.1861 | |
| 266 | A | A | 0.0000 | |
| 267 | E | A | -3.6292 | |
| 268 | A | A | -2.5505 | |
| 269 | A | A | 0.0000 | |
| 270 | E | A | -4.5033 | |
| 271 | Q | A | -3.6762 | |
| 272 | A | A | -2.6907 | |
| 273 | H | A | -3.7800 | |
| 274 | Q | A | -3.2141 | |
| 275 | E | A | -3.6825 | |
| 276 | Q | A | -3.1087 | |
| 277 | R | A | -2.9946 | |
| 278 | K | A | -3.0578 | |
| 279 | A | A | -2.1031 | |
| 280 | M | A | -2.1999 | |
| 281 | A | A | -1.9426 | |
| 282 | A | A | -1.8936 | |
| 283 | E | A | -2.7722 | |
| 284 | A | A | -2.5396 | |
| 285 | H | A | -2.9233 | |
| 286 | R | A | -3.6227 | |
| 287 | Q | A | -3.5549 | |
| 288 | A | A | -2.7567 | |
| 289 | E | A | -3.2921 | |
| 290 | R | A | -3.2095 | |
| 291 | L | A | -2.2734 | |
| 292 | T | A | -1.8441 | |
| 293 | A | A | -1.8228 | |
| 294 | A | A | 0.0000 | |
| 295 | Q | A | -2.6969 | |
| 296 | G | A | -2.1884 | |
| 297 | E | A | -3.5302 | |
| 298 | R | A | -3.8881 | |
| 299 | D | A | -3.2440 | |
| 300 | Q | A | -3.5502 | |
| 301 | A | A | 0.0000 | |
| 302 | K | A | -4.0206 | |
| 303 | R | A | -3.5445 | |
| 304 | D | A | -3.1993 | |
| 305 | A | A | 0.0000 | |
| 306 | A | A | -3.1151 | |
| 307 | Q | A | -3.6932 | |
| 308 | A | A | 0.0000 | |
| 309 | R | A | -4.3548 | |
| 310 | E | A | -3.7304 | |
| 311 | E | A | -3.8443 | |
| 312 | A | A | 0.0000 | |
| 313 | A | A | -2.7230 | |
| 314 | G | A | -2.6196 | |
| 315 | L | A | 0.0000 | |
| 316 | R | A | -3.4638 | |
| 317 | G | A | -2.8364 | |
| 318 | R | A | -3.3798 | |
| 319 | L | A | 0.0000 | |
| 320 | E | A | -3.2858 | |
| 321 | A | A | -1.7900 | |
| 322 | L | A | -1.0619 | |
| 323 | E | A | -2.0799 | |
| 324 | T | A | -0.6615 | |
| 325 | V | A | 0.5668 | |
| 326 | M | A | -0.2459 | |
| 327 | A | A | -0.8578 | |
| 328 | Q | A | -1.4924 | |
| 329 | G | A | -1.4237 | |
| 330 | R | A | -2.4200 | |
| 331 | A | A | -1.6292 | |
| 332 | A | A | -1.5443 | |
| 333 | D | A | -2.2505 | |
| 334 | P | A | -1.2372 | |
| 335 | T | A | -0.8558 | |
| 336 | S | A | -0.8735 | |
| 337 | G | A | -1.2204 | |
| 338 | G | A | -2.0150 | |
| 339 | R | A | -3.4228 | |
| 340 | K | A | -3.5967 | |
| 341 | K | A | -3.0485 | |
| 342 | T | A | -1.5029 | |
| 1 | M | B | 1.1018 | |
| 2 | A | B | 0.4661 | |
| 3 | I | B | -0.2794 | |
| 4 | S | B | -1.2033 | |
| 5 | K | B | -2.7403 | |
| 6 | E | B | -2.5888 | |
| 7 | Q | B | -1.7746 | |
| 8 | I | B | 0.0000 | |
| 9 | F | B | -1.6882 | |
| 10 | A | B | -1.5953 | |
| 11 | V | B | -1.7390 | |
| 12 | A | B | 0.0000 | |
| 13 | D | B | -2.5640 | |
| 14 | E | B | -2.8318 | |
| 15 | L | B | 0.0000 | |
| 16 | D | B | -3.2471 | |
| 17 | A | B | -2.0119 | |
| 18 | A | B | -1.7416 | |
| 19 | G | B | -2.0708 | |
| 20 | Q | B | -2.5701 | |
| 21 | N | B | -2.1998 | |
| 22 | P | B | 0.0000 | |
| 23 | T | B | -0.9501 | |
| 24 | L | B | -0.5099 | |
| 25 | A | B | -0.7146 | |
| 26 | N | B | -1.6292 | |
| 27 | V | B | 0.0000 | |
| 28 | R | B | -2.0581 | |
| 29 | K | B | -2.8194 | |
| 30 | Q | B | -2.0575 | |
| 31 | L | B | -1.4856 | |
| 32 | G | B | -1.6820 | |
| 33 | S | B | -0.8002 | |
| 34 | G | B | -0.1392 | |
| 35 | S | B | 0.5137 | |
| 36 | F | B | 1.3512 | |
| 37 | T | B | 0.3327 | |
| 38 | T | B | -0.3365 | |
| 39 | I | B | 0.0000 | |
| 40 | S | B | -1.0613 | |
| 41 | E | B | -2.6152 | |
| 42 | A | B | 0.0000 | |
| 43 | M | B | 0.0000 | |
| 44 | N | B | -3.3605 | |
| 45 | E | B | -3.8149 | |
| 46 | W | B | 0.0000 | |
| 47 | R | B | -2.8304 | |
| 48 | A | B | -2.6369 | |
| 49 | R | B | -3.4426 | |
| 50 | K | B | -2.9928 | |
| 51 | A | B | -1.7535 | |
| 52 | S | B | -1.7409 | |
| 53 | Q | B | -2.1030 | |
| 54 | A | B | -0.6920 | |
| 55 | A | B | -0.1579 | |
| 56 | P | B | -0.2722 | |
| 57 | I | B | 0.4015 | |
| 58 | R | B | -1.8483 | |
| 59 | E | B | -2.0018 | |
| 60 | P | B | -0.7505 | |
| 61 | A | B | -0.7637 | |
| 62 | P | B | -0.4812 | |
| 63 | Q | B | -0.3489 | |
| 64 | A | B | -0.2984 | |
| 65 | I | B | -0.1322 | |
| 66 | T | B | -0.2907 | |
| 67 | D | B | 0.0000 | |
| 68 | K | B | -1.1566 | |
| 69 | L | B | -0.5941 | |
| 70 | A | B | -0.6169 | |
| 71 | E | B | -1.4543 | |
| 72 | L | B | -0.6832 | |
| 73 | G | B | 0.0000 | |
| 74 | G | B | -0.8501 | |
| 75 | D | B | -1.3421 | |
| 76 | L | B | -0.0835 | |
| 77 | W | B | 0.2506 | |
| 78 | A | B | -0.1427 | |
| 79 | V | B | 0.4156 | |
| 80 | A | B | 0.0000 | |
| 81 | L | B | -0.6830 | |
| 82 | E | B | -1.9992 | |
| 83 | M | B | -1.3430 | |
| 84 | A | B | 0.0000 | |
| 85 | N | B | -2.3643 | |
| 86 | N | B | -2.7769 | |
| 87 | R | B | -3.1731 | |
| 88 | L | B | -2.6366 | |
| 89 | A | B | -2.2218 | |
| 90 | A | B | -2.1671 | |
| 91 | E | B | -2.8238 | |
| 92 | R | B | -3.6461 | |
| 93 | E | B | -3.4339 | |
| 94 | A | B | -2.3163 | |
| 95 | L | B | 0.0000 | |
| 96 | E | B | -3.8472 | |
| 97 | A | B | -2.7309 | |
| 98 | V | B | -3.0546 | |
| 99 | R | B | -3.7219 | |
| 100 | Q | B | -3.7231 | |
| 101 | E | B | -3.7102 | |
| 102 | T | B | -4.1356 | |
| 103 | E | B | -3.8448 | |
| 104 | A | B | -3.0180 | |
| 105 | A | B | -3.2991 | |
| 106 | R | B | -3.2421 | |
| 107 | Q | B | -3.3527 | |
| 108 | E | B | -3.2525 | |
| 109 | A | B | -2.3659 | |
| 110 | A | B | -2.0160 | |
| 111 | E | B | -2.8792 | |
| 112 | L | B | -1.2121 | |
| 113 | A | B | 0.0000 | |
| 114 | D | B | -1.7865 | |
| 115 | Q | B | -1.8674 | |
| 116 | L | B | -1.5161 | |
| 117 | T | B | 0.0000 | |
| 118 | G | B | -1.8374 | |
| 119 | E | B | -2.3977 | |
| 120 | L | B | 0.0000 | |
| 121 | D | B | -2.2270 | |
| 122 | E | B | -3.2728 | |
| 123 | A | B | 0.0000 | |
| 124 | K | B | -3.3389 | |
| 125 | A | B | -2.0696 | |
| 126 | R | B | -2.9363 | |
| 127 | V | B | 0.0000 | |
| 128 | A | B | -1.2001 | |
| 129 | A | B | -0.9773 | |
| 130 | L | B | 0.0000 | |
| 131 | E | B | -1.9065 | |
| 132 | A | B | -0.7838 | |
| 133 | V | B | -0.4248 | |
| 134 | E | B | -1.3610 | |
| 135 | A | B | -1.0603 | |
| 136 | A | B | -1.1639 | |
| 137 | A | B | 0.0000 | |
| 138 | K | B | -2.6316 | |
| 139 | G | B | -2.8130 | |
| 140 | E | B | -3.8505 | |
| 141 | A | B | 0.0000 | |
| 142 | D | B | -4.0975 | |
| 143 | E | B | -4.1770 | |
| 144 | L | B | 0.0000 | |
| 145 | R | B | -3.0044 | |
| 146 | G | B | -2.5051 | |
| 147 | K | B | -2.5355 | |
| 148 | L | B | -2.0351 | |
| 149 | A | B | -1.2299 | |
| 150 | A | B | -1.5420 | |
| 151 | T | B | -2.0992 | |
| 152 | S | B | -2.0041 | |
| 153 | E | B | -2.8503 | |
| 154 | R | B | -3.0143 | |
| 155 | A | B | 0.0000 | |
| 156 | A | B | -1.8777 | |
| 157 | T | B | -1.8795 | |
| 158 | A | B | 0.0000 | |
| 159 | E | B | -2.5961 | |
| 160 | A | B | -1.9370 | |
| 161 | R | B | -3.0945 | |
| 162 | A | B | 0.0000 | |
| 163 | G | B | -2.7957 | |
| 164 | E | B | -3.4546 | |
| 165 | L | B | -3.9800 | |
| 166 | R | B | -4.1418 | |
| 167 | T | B | -3.1726 | |
| 168 | E | B | -3.7973 | |
| 169 | L | B | 0.0000 | |
| 170 | D | B | -3.2644 | |
| 171 | H | B | -3.4024 | |
| 172 | A | B | 0.0000 | |
| 173 | H | B | -3.4341 | |
| 174 | Q | B | -3.6968 | |
| 175 | E | B | -3.7089 | |
| 176 | A | B | 0.0000 | |
| 177 | R | B | -4.0600 | |
| 178 | Q | B | -3.6084 | |
| 179 | A | B | 0.0000 | |
| 180 | R | B | -4.1109 | |
| 181 | A | B | -2.9675 | |
| 182 | E | B | -3.4230 | |
| 183 | R | B | -4.3099 | |
| 184 | D | B | -3.8039 | |
| 185 | K | B | -3.9004 | |
| 186 | A | B | 0.0000 | |
| 187 | Q | B | -4.4684 | |
| 188 | E | B | -4.1028 | |
| 189 | R | B | -4.1461 | |
| 190 | A | B | 0.0000 | |
| 191 | T | B | -2.3871 | |
| 192 | A | B | -2.1828 | |
| 193 | S | B | -2.3837 | |
| 194 | A | B | -2.2060 | |
| 195 | D | B | -3.0071 | |
| 196 | Q | B | -2.4253 | |
| 197 | V | B | -2.9911 | |
| 198 | E | B | -3.4227 | |
| 199 | A | B | -2.4529 | |
| 200 | L | B | 0.0000 | |
| 201 | R | B | -3.5817 | |
| 202 | A | B | -2.1586 | |
| 203 | D | B | -2.8667 | |
| 204 | L | B | -2.6061 | |
| 205 | A | B | -1.4552 | |
| 206 | A | B | -1.5315 | |
| 207 | A | B | -2.4908 | |
| 208 | N | B | -2.2976 | |
| 209 | S | B | -2.1900 | |
| 210 | R | B | -3.3412 | |
| 211 | T | B | -3.4237 | |
| 212 | A | B | -2.9257 | |
| 213 | E | B | -4.0925 | |
| 214 | I | B | 0.0000 | |
| 215 | E | B | -4.6777 | |
| 216 | R | B | -5.0098 | |
| 217 | R | B | -4.7569 | |
| 218 | A | B | -4.7404 | |
| 219 | G | B | -3.8440 | |
| 220 | E | B | -4.3153 | |
| 221 | L | B | -4.2725 | |
| 222 | R | B | -4.3018 | |
| 223 | A | B | -3.5360 | |
| 224 | D | B | -4.2266 | |
| 225 | L | B | 0.0000 | |
| 226 | E | B | -4.3404 | |
| 227 | R | B | -4.3354 | |
| 228 | A | B | -3.8612 | |
| 229 | N | B | -3.6063 | |
| 230 | Q | B | -3.7668 | |
| 231 | A | B | -2.9575 | |
| 232 | T | B | -3.4121 | |
| 233 | D | B | -3.2590 | |
| 234 | Q | B | -2.8909 | |
| 235 | A | B | -2.9921 | |
| 236 | R | B | -3.6466 | |
| 237 | A | B | -2.3882 | |
| 238 | A | B | -2.5514 | |
| 239 | Q | B | 0.0000 | |
| 240 | A | B | -3.0641 | |
| 241 | E | B | -3.4325 | |
| 242 | Q | B | -3.5573 | |
| 243 | R | B | -3.8935 | |
| 244 | K | B | -3.1687 | |
| 245 | A | B | -2.1708 | |
| 246 | E | B | 0.0000 | |
| 247 | V | B | -1.7858 | |
| 248 | A | B | -1.9765 | |
| 249 | A | B | 0.0000 | |
| 250 | A | B | 0.0000 | |
| 251 | E | B | -3.9214 | |
| 252 | R | B | -5.3596 | |
| 253 | D | B | -5.1333 | |
| 254 | Q | B | -4.2126 | |
| 255 | V | B | 0.0000 | |
| 256 | R | B | -4.0182 | |
| 257 | A | B | -2.4586 | |
| 258 | E | B | -2.4767 | |
| 259 | L | B | -1.4774 | |
| 260 | V | B | -0.3406 | |
| 261 | K | B | -1.9321 | |
| 262 | V | B | 0.0000 | |
| 263 | Q | B | -1.9863 | |
| 264 | A | B | -1.8759 | |
| 265 | K | B | -3.0287 | |
| 266 | A | B | 0.0000 | |
| 267 | E | B | -3.5194 | |
| 268 | A | B | -2.4338 | |
| 269 | A | B | -3.4593 | |
| 270 | E | B | -4.2310 | |
| 271 | Q | B | -3.5007 | |
| 272 | A | B | -2.7792 | |
| 273 | H | B | -3.7487 | |
| 274 | Q | B | -3.2986 | |
| 275 | E | B | -3.6785 | |
| 276 | Q | B | -2.9517 | |
| 277 | R | B | -3.3611 | |
| 278 | K | B | -3.2048 | |
| 279 | A | B | -2.1791 | |
| 280 | M | B | -2.3940 | |
| 281 | A | B | -2.0462 | |
| 282 | A | B | -1.9418 | |
| 283 | E | B | -2.8892 | |
| 284 | A | B | 0.0000 | |
| 285 | H | B | -2.8884 | |
| 286 | R | B | -3.6157 | |
| 287 | Q | B | -3.5581 | |
| 288 | A | B | -2.7801 | |
| 289 | E | B | -3.5395 | |
| 290 | R | B | -3.3121 | |
| 291 | L | B | -2.4241 | |
| 292 | T | B | -1.6728 | |
| 293 | A | B | -1.6263 | |
| 294 | A | B | 0.0000 | |
| 295 | Q | B | -2.5077 | |
| 296 | G | B | -2.0760 | |
| 297 | E | B | -2.8416 | |
| 298 | R | B | -3.7385 | |
| 299 | D | B | -3.3308 | |
| 300 | Q | B | -3.0141 | |
| 301 | A | B | 0.0000 | |
| 302 | K | B | -4.3630 | |
| 303 | R | B | -3.8894 | |
| 304 | D | B | -3.5930 | |
| 305 | A | B | 0.0000 | |
| 306 | A | B | -3.2225 | |
| 307 | Q | B | -3.9740 | |
| 308 | A | B | 0.0000 | |
| 309 | R | B | -4.6259 | |
| 310 | E | B | -4.0433 | |
| 311 | E | B | -4.1038 | |
| 312 | A | B | 0.0000 | |
| 313 | A | B | -2.9785 | |
| 314 | G | B | -2.7732 | |
| 315 | L | B | 0.0000 | |
| 316 | R | B | -3.5079 | |
| 317 | G | B | -2.7111 | |
| 318 | R | B | -3.2888 | |
| 319 | L | B | -3.1678 | |
| 320 | E | B | -3.1463 | |
| 321 | A | B | -1.6892 | |
| 322 | L | B | -0.9452 | |
| 323 | E | B | -2.0165 | |
| 324 | T | B | -0.6491 | |
| 325 | V | B | 0.5190 | |
| 326 | M | B | -0.3759 | |
| 327 | A | B | -0.9536 | |
| 328 | Q | B | -1.5387 | |
| 329 | G | B | -1.6316 | |
| 330 | R | B | -2.4638 | |
| 331 | A | B | -1.6633 | |
| 332 | A | B | -1.5565 | |
| 333 | D | B | -2.3083 | |
| 334 | P | B | -1.2101 | |
| 335 | T | B | -0.8359 | |
| 336 | S | B | -0.8396 | |
| 337 | G | B | -1.4493 | |
| 338 | G | B | -2.3120 | |
| 339 | R | B | -3.5037 | |
| 340 | K | B | -3.6946 | |
| 341 | K | B | -3.1444 | |
| 342 | T | B | -1.6102 | |
| 1 | M | C | -0.2331 | |
| 2 | K | C | -1.1845 | |
| 3 | Q | C | -1.1598 | |
| 4 | R | C | 0.0000 | |
| 5 | L | C | 0.0000 | |
| 6 | L | C | 0.0000 | |
| 7 | V | C | 0.0000 | |
| 8 | M | C | 0.0000 | |
| 9 | N | C | -1.4663 | |
| 10 | G | C | -1.4192 | |
| 11 | Q | C | -1.5707 | |
| 12 | R | C | 0.0000 | |
| 13 | I | C | 0.0000 | |
| 14 | V | C | 0.0000 | |
| 15 | Q | C | 0.0000 | |
| 16 | A | C | 0.0000 | |
| 17 | E | C | -2.1556 | |
| 18 | K | C | -2.8704 | |
| 19 | D | C | -2.7797 | |
| 20 | G | C | -2.0759 | |
| 21 | A | C | -1.4294 | |
| 22 | W | C | -1.5960 | |
| 23 | T | C | -1.8363 | |
| 24 | N | C | -2.2553 | |
| 25 | Q | C | -2.5499 | |
| 26 | K | C | -2.6149 | |
| 27 | V | C | -1.7062 | |
| 28 | D | C | -2.5781 | |
| 29 | K | C | -2.6435 | |
| 30 | A | C | 0.0000 | |
| 31 | G | C | -1.6127 | |
| 32 | A | C | -0.8917 | |
| 33 | L | C | 0.0000 | |
| 34 | K | C | -1.8125 | |
| 35 | P | C | -1.3066 | |
| 36 | G | C | 0.0000 | |
| 37 | I | C | -0.1893 | |
| 38 | Y | C | 0.0000 | |
| 39 | N | C | -0.5866 | |
| 40 | L | C | 0.0000 | |
| 41 | Y | C | -0.1926 | |
| 42 | T | C | -0.4967 | |
| 43 | A | C | -0.4722 | |
| 44 | Q | C | -0.9784 | |
| 45 | A | C | -0.6025 | |
| 46 | A | C | -1.1496 | |
| 47 | D | C | -2.1248 | |
| 48 | K | C | -2.8610 | |
| 49 | K | C | -3.1089 | |
| 50 | Q | C | -2.5919 | |
| 51 | T | C | -1.2850 | |
| 52 | H | C | 0.0000 | |
| 53 | A | C | -0.2027 | |
| 54 | G | C | -0.0989 | |
| 55 | V | C | 0.0364 | |
| 56 | I | C | 0.0000 | |
| 57 | V | C | 0.0000 | |
| 58 | H | C | -0.2182 | |
| 59 | A | C | -0.4778 | |
| 60 | D | C | -0.9178 | |
| 61 | A | C | -0.5038 | |
| 62 | T | C | -0.5925 | |
| 63 | N | C | -0.5383 | |
| 64 | V | C | 0.0000 | |
| 65 | Y | C | 0.0351 | |
| 66 | Q | C | 0.0000 | |
| 67 | Q | C | -0.6146 | |
| 68 | I | C | -0.4320 | |
| 69 | G | C | -1.2782 | |
| 70 | K | C | -2.2926 | |
| 71 | N | C | -1.8167 | |
| 72 | F | C | 0.0000 | |
| 73 | V | C | 0.0000 | |
| 74 | M | C | -0.1372 | |
| 75 | H | C | 0.0000 | |
| 76 | A | C | -0.5181 | |
| 77 | R | C | -1.1528 | |
| 78 | S | C | -1.1670 | |
| 79 | D | C | -1.5447 | |
| 80 | F | C | 0.0000 | |
| 81 | D | C | -2.7000 | |
| 82 | K | C | -2.4953 | |
| 83 | V | C | -1.0336 | |
| 84 | P | C | 0.0000 | |
| 85 | E | C | -1.5784 | |
| 86 | I | C | -0.1610 | |
| 87 | G | C | -0.5617 | |
| 88 | S | C | -0.4660 | |
| 89 | A | C | -0.2836 | |
| 90 | K | C | -0.3901 | |
| 91 | S | C | -0.1660 | |
| 92 | I | C | 0.0000 | |
| 93 | S | C | -1.1078 | |
| 94 | Y | C | -1.6721 | |
| 95 | N | C | -1.5184 | |
| 96 | A | C | -1.2580 | |
| 97 | Q | C | -1.6621 | |
| 98 | G | C | -1.7269 | |
| 99 | K | C | -1.9481 | |
| 100 | A | C | 0.0000 | |
| 101 | A | C | -0.3714 | |
| 102 | V | C | -0.0692 | |
| 103 | A | C | 0.0710 | |
| 104 | A | C | -0.2208 | |
| 105 | E | C | -0.8594 | |
| 106 | A | C | -0.5852 | |
| 107 | P | C | -0.7597 | |
| 108 | K | C | -1.6542 | |
| 109 | L | C | -0.2054 | |
| 110 | T | C | -2.2272 | |
| 111 | R | C | -2.9779 | |
| 112 | G | C | -2.4361 | |
| 113 | R | C | -2.3939 | |
| 114 | S | C | -0.9865 | |
| 115 | M | C | 0.3637 | |
| 1 | M | D | -0.0426 | |
| 2 | K | D | -1.6591 | |
| 3 | R | D | -1.3662 | |
| 4 | L | D | 0.8204 | |
| 5 | T | D | 0.7361 | |
| 6 | I | D | 1.8949 | |
| 7 | P | D | 0.5507 | |
| 8 | G | D | -0.3368 | |
| 9 | S | D | -0.7454 | |
| 10 | G | D | -1.3931 | |
| 11 | T | D | -1.6575 | |
| 12 | E | D | -2.7054 | |
| 13 | S | D | -2.0893 | |
| 14 | R | D | -2.7685 | |
| 15 | A | D | -1.7329 | |
| 16 | T | D | -1.5332 | |
| 17 | K | D | -2.3610 | |
| 18 | P | D | -1.2939 | |
| 19 | A | D | -0.9827 | |
| 20 | R | D | -1.3169 | |
| 21 | V | D | 0.7220 | |
| 22 | S | D | 0.0938 | |
| 23 | A | D | 0.0563 | |
| 24 | P | D | 0.2229 | |
| 25 | A | D | 0.2403 | |
| 26 | T | D | 0.4603 | |
| 27 | L | D | 1.1467 | |
| 28 | G | D | 0.0847 | |
| 29 | G | D | -0.0172 | |
| 30 | A | D | 0.3493 | |
| 31 | A | D | 0.7309 | |
| 32 | F | D | 1.6687 | |
| 33 | G | D | 0.3114 | |
| 34 | A | D | -0.5622 | |
| 35 | S | D | -1.5613 | |
| 36 | R | D | -3.3842 | |
| 37 | E | D | -3.7111 | |
| 38 | D | D | -3.5587 | |
| 39 | T | D | -2.0155 | |
| 40 | G | D | -1.3128 | |
| 41 | A | D | -1.2211 | |
| 42 | D | D | -1.6635 | |
| 43 | L | D | 0.3940 | |
| 44 | L | D | 0.5383 | |
| 45 | E | D | -1.6175 | |
| 46 | A | D | -0.5524 | |
| 47 | A | D | -0.6554 | |
| 48 | Q | D | -1.3918 | |
| 49 | A | D | -1.0519 | |
| 50 | A | D | -1.2928 | |
| 51 | E | D | -2.5933 | |
| 52 | I | D | -0.8470 | |
| 53 | E | D | -1.5324 | |
| 54 | Q | D | -1.8887 | |
| 55 | Q | D | -1.6011 | |
| 56 | A | D | -1.1420 | |
| 57 | T | D | -0.7107 | |
| 58 | L | D | 0.1067 | |
| 59 | E | D | -1.5475 | |
| 60 | A | D | -0.3519 | |
| 61 | A | D | -0.4548 | |
| 62 | P | D | -0.2923 | |
| 63 | V | D | 0.4949 | |
| 64 | E | D | -1.7084 | |
| 65 | Q | D | -1.9043 | |
| 66 | S | D | -1.0624 | |
| 67 | Y | D | -0.8728 | |
| 68 | P | D | -1.0363 | |
| 69 | E | D | -1.7899 | |
| 70 | T | D | -0.4119 | |
| 71 | L | D | 0.1415 | |
| 72 | A | D | -0.0506 | |
| 73 | L | D | -0.3460 | |
| 74 | Y | D | 0.0599 | |
| 75 | V | D | 0.4304 | |
| 76 | Q | D | -1.2882 | |
| 77 | A | D | -1.8258 | |
| 78 | R | D | -2.1883 | |
| 79 | A | D | -1.7421 | |
| 80 | R | D | -2.9060 | |
| 81 | P | D | -1.8498 | |
| 82 | G | D | -1.5607 | |
| 83 | G | D | -1.3796 | |
| 84 | H | D | -2.0689 | |
| 85 | I | D | -1.6848 | |
| 86 | E | D | -2.4903 | |
| 87 | D | D | -2.7639 | |
| 88 | R | D | -2.9879 | |
| 89 | L | D | 0.0000 | |
| 90 | E | D | -3.6274 | |
| 91 | N | D | -3.1288 | |
| 92 | L | D | 0.0000 | |
| 93 | I | D | 0.0000 | |
| 94 | D | D | -3.2897 | |
| 95 | R | D | -2.4839 | |
| 96 | Q | D | 0.0000 | |
| 97 | Q | D | -2.6816 | |
| 98 | A | D | -2.1692 | |
| 99 | R | D | -2.3632 | |
| 100 | L | D | -2.5215 | |
| 101 | Q | D | -2.5738 | |
| 102 | Q | D | -2.3484 | |
| 103 | T | D | 0.0000 | |
| 104 | Q | D | -1.8016 | |
| 105 | A | D | -1.1825 | |
| 106 | S | D | -1.0709 | |
| 107 | A | D | -1.1239 | |
| 108 | P | D | -0.9213 | |
| 109 | G | D | -0.9006 | |
| 110 | R | D | -1.6137 | |
| 111 | L | D | -0.5047 | |
| 112 | S | D | 0.0004 | |
| 113 | L | D | 0.5125 | |
| 114 | P | D | -0.5968 | |
| 115 | G | D | -0.8985 | |
| 116 | S | D | -1.1000 | |
| 117 | K | D | -2.0488 | |
| 118 | R | D | -2.9224 | |
| 119 | A | D | -2.3406 | |
| 120 | W | D | -2.1674 | |
| 121 | Q | D | -2.9564 | |
| 122 | N | D | -3.1967 | |
| 123 | Q | D | -2.8373 | |
| 124 | Q | D | -2.7392 | |
| 125 | A | D | -2.0130 | |
| 126 | Q | D | -2.4541 | |
| 127 | Q | D | -2.3999 | |
| 128 | Q | D | -2.3938 | |
| 129 | A | D | -1.4800 | |
| 130 | R | D | -1.5567 | |
| 131 | L | D | 0.0000 | |
| 132 | Q | D | -1.8662 | |
| 133 | T | D | -1.1766 | |
| 134 | L | D | 0.0000 | |
| 135 | H | D | -1.8039 | |
| 136 | A | D | -1.2568 | |
| 137 | R | D | -2.0537 | |
| 138 | L | D | 0.0000 | |
| 139 | E | D | -3.1516 | |
| 140 | A | D | -2.4006 | |
| 141 | V | D | -2.5003 | |
| 142 | R | D | -4.0408 | |
| 143 | E | D | -4.0055 | |
| 144 | I | D | -2.6932 | |
| 145 | K | D | -3.1562 | |
| 146 | E | D | -3.3309 | |
| 147 | G | D | -2.3914 | |
| 148 | M | D | -1.5139 | |
| 149 | G | D | -0.8254 | |
| 150 | L | D | 0.3408 | |
| 151 | H | D | -0.8178 | |
| 152 | S | D | -0.6182 | |
| 153 | P | D | -0.5937 | |
| 154 | K | D | -0.9020 | |
| 155 | I | D | 0.2261 | |
| 156 | E | D | -1.5578 | |
| 157 | E | D | -1.2751 | |
| 158 | L | D | -0.8222 | |
| 159 | A | D | -1.2008 | |
| 160 | T | D | -1.6005 | |
| 161 | R | D | -2.0027 | |
| 162 | K | D | -2.7483 | |
| 163 | M | D | -2.2373 | |
| 164 | R | D | -2.4473 | |
| 165 | A | D | -2.4131 | |
| 166 | E | D | -3.2544 | |
| 167 | N | D | -3.0209 | |
| 168 | P | D | -2.6446 | |
| 169 | E | D | -2.9656 | |
| 170 | L | D | -1.7669 | |
| 171 | A | D | 0.0000 | |
| 172 | S | D | -2.1940 | |
| 173 | D | D | -2.4970 | |
| 174 | W | D | -1.4763 | |
| 175 | D | D | -2.4995 | |
| 176 | A | D | -1.9163 | |
| 177 | M | D | -1.7501 | |
| 178 | R | D | -3.5365 | |
| 179 | E | D | -3.9431 | |
| 180 | A | D | -2.7524 | |
| 181 | A | D | -3.0666 | |
| 182 | R | D | -4.1086 | |
| 183 | R | D | -3.8734 | |
| 184 | H | D | -3.3590 | |
| 185 | E | D | -3.4782 | |
| 186 | L | D | -2.2770 | |
| 187 | L | D | -1.6444 | |
| 188 | M | D | -2.2067 | |
| 189 | R | D | -4.0505 | |
| 190 | K | D | -4.2801 | |
| 191 | Q | D | -4.0637 | |
| 192 | E | D | -5.1881 | |
| 193 | Q | D | -5.6113 | |
| 194 | E | D | -5.8103 | |
| 195 | R | D | -5.9985 | |
| 196 | K | D | -5.5040 | |
| 197 | Q | D | -4.9062 | |
| 198 | S | D | -4.4901 | |
| 199 | Q | D | -4.5295 | |
| 200 | A | D | -3.6773 | |
| 201 | Q | D | -3.9184 | |
| 202 | E | D | -4.2916 | |
| 203 | R | D | -4.1966 | |
| 204 | P | D | -3.2881 | |
| 205 | G | D | -2.5559 | |
| 206 | R | D | -3.1355 | |
| 207 | S | D | -1.7296 | |
| 208 | Q | D | -1.6440 | |
| 209 | S | D | -0.3007 | |
| 210 | L | D | 1.2498 | |
| 211 | G | D | 0.7453 | |
| 212 | L | D | 1.4010 | |
| 213 | S | D | 0.0389 | |
| 214 | A | D | -0.6059 | |
| 215 | R | D | -1.7654 | |
| 216 | P | D | -1.1358 | |
| 217 | A | D | -0.5596 |
ALA alanine
ARG arginine
ASN asparagine
ASP aspartic acid
CYS cysteine
GLN glutamine
GLU glutamic acid
GLY glycine
HIS histidine
ILE isoleucine
LEU leucine
LYS lysine
MET methionine
PHE phenylalanine
PRO proline
SER serine
THR threonine
TRP tryptophan
TYR tyrosine
VAL valine