| Chain sequence(s) |
A: QVQLVQSGAEVKKPGSSVKVSCKASGGTFSSYTISWVRQAPGQGFEWMGKIIPLIGETKYAPKFQGRVTITADKSTNTVYLELSSLRSEDTAVYYCAREREGDIVTSSPYDKWGQGTLVTVSSDKTHTCPPCPAPEAAGGPSVFLFPPKPKDTLYITREPEVTCVVVDVSHEDPEVKFNWYVDGVEVHNAKTKPREEQYNSTYRVVSVLTVLHQDWLNGKEYKCKVSNKALPAPIEKTISKAKGQPREPQVYTLPPSREEMTKNQVSLTCLVKGFYPSDIAVEWESNGQPENNYKTTPPVLDSDGSFFLYSKLTVDKSRWQQGNVFSCSVMHEALHNHYTQKSLSLSPGGGGGSGGGGSQVQLVQSGGGLVQPGGSLRLSCAASGFTFSAFSMSWVRQAPGKGLEWVAYINQDGSEKYYDDSVKGRFTISRDNAKNSLSLQMNSLRAEDTAVYYCARDIAAPPLGQGTQVTVSS
B: QVQLVQSGAEVKKPGSSVKVSCKASGGTFSSYTISWVRQAPGQGFEWMGKIIPLIGETKYAPKFQGRVTITADKSTNTVYLELSSLRSEDTAVYYCAREREGDIVTSSPYDKWGQGTLVTVSSDKTHTCPPCPAPEAAGGPSVFLFPPKPKDTLYITREPEVTCVVVDVSHEDPEVKFNWYVDGVEVHNAKTKPREEQYNSTYRVVSVLTVLHQDWLNGKEYKCKVSNKALPAPIEKTISKAKGQPREPQVYTLPPSREEMTKNQVSLTCLVKGFYPSDIAVEWESNGQPENNYKTTPPVLDSDGSFFLYSKLTVDKSRWQQGNVFSCSVMHEALHNHYTQKSLSLSPGGGGGSGGGGSQVQLVQSGGGLVQPGGSLRLSCAASGFTFSAFSMSWVRQAPGKGLEWVAYINQDGSEKYYDDSVKGRFTISRDNAKNSLSLQMNSLRAEDTAVYYCARDIAAPPLGQGTQVTVSS input PDB |
| Selected Chain(s) | A,B |
| 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 (00:20:18)
[INFO] Main: Simulation completed successfully. (00:20:33)
|
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 | Q | A | -1.4708 | |
| 2 | V | A | -1.1078 | |
| 3 | Q | A | -1.4095 | |
| 4 | L | A | 0.0000 | |
| 5 | V | A | 0.0973 | |
| 6 | Q | A | 0.0000 | |
| 7 | S | A | -0.2437 | |
| 8 | G | A | -0.0406 | |
| 9 | A | A | 0.2256 | |
| 10 | E | A | -0.2730 | |
| 11 | V | A | 0.3876 | |
| 12 | K | A | -1.5845 | |
| 13 | K | A | -2.8284 | |
| 14 | P | A | -2.4911 | |
| 15 | G | A | -1.6427 | |
| 16 | S | A | -1.3079 | |
| 17 | S | A | -1.4223 | |
| 18 | V | A | 0.0000 | |
| 19 | K | A | -1.9945 | |
| 20 | V | A | 0.0000 | |
| 21 | S | A | -0.5975 | |
| 22 | C | A | 0.0000 | |
| 23 | K | A | -0.9862 | |
| 24 | A | A | 0.0000 | |
| 25 | S | A | -0.9752 | |
| 26 | G | A | -1.1998 | |
| 27 | G | A | -0.7885 | |
| 28 | T | A | -0.5232 | |
| 29 | F | A | -0.4682 | |
| 30 | S | A | -0.0097 | |
| 31 | S | A | -0.3322 | |
| 32 | Y | A | -0.2850 | |
| 33 | T | A | -0.3435 | |
| 34 | I | A | 0.0000 | |
| 35 | S | A | 0.0000 | |
| 36 | W | A | 0.0000 | |
| 37 | V | A | 0.0000 | |
| 38 | R | A | 0.0000 | |
| 39 | Q | A | 0.0000 | |
| 40 | A | A | -0.9608 | |
| 41 | P | A | -1.1827 | |
| 42 | G | A | -1.5209 | |
| 43 | Q | A | -1.6924 | |
| 44 | G | A | -1.1404 | |
| 45 | F | A | 0.0000 | |
| 46 | E | A | -0.4576 | |
| 47 | W | A | 0.0184 | |
| 48 | M | A | 0.0000 | |
| 49 | G | A | 0.0000 | |
| 50 | K | A | -0.3393 | |
| 51 | I | A | 0.0000 | |
| 52 | I | A | 0.0000 | |
| 53 | P | A | 0.0000 | |
| 54 | L | A | -0.2721 | |
| 55 | I | A | -0.2304 | |
| 56 | G | A | -0.7591 | |
| 57 | E | A | 0.0000 | |
| 58 | T | A | -0.1162 | |
| 59 | K | A | -0.1599 | |
| 60 | Y | A | -0.2076 | |
| 61 | A | A | 0.0000 | |
| 62 | P | A | -0.4253 | |
| 63 | K | A | -0.9746 | |
| 64 | F | A | 0.0000 | |
| 65 | Q | A | -0.9212 | |
| 66 | G | A | -1.0997 | |
| 67 | R | A | -0.9714 | |
| 68 | V | A | 0.0000 | |
| 69 | T | A | -0.7719 | |
| 70 | I | A | 0.0000 | |
| 71 | T | A | -0.5344 | |
| 72 | A | A | -0.8683 | |
| 73 | D | A | -1.6572 | |
| 74 | K | A | -2.1284 | |
| 75 | S | A | -1.3247 | |
| 76 | T | A | -1.1649 | |
| 77 | N | A | -1.4515 | |
| 78 | T | A | 0.0000 | |
| 79 | V | A | 0.0000 | |
| 80 | Y | A | -0.6268 | |
| 81 | L | A | 0.0000 | |
| 82 | E | A | -1.6024 | |
| 83 | L | A | 0.0000 | |
| 84 | S | A | -1.2025 | |
| 85 | S | A | -1.2643 | |
| 86 | L | A | 0.0000 | |
| 87 | R | A | -3.1323 | |
| 88 | S | A | -2.3909 | |
| 89 | E | A | -2.5596 | |
| 90 | D | A | 0.0000 | |
| 91 | T | A | -0.9768 | |
| 92 | A | A | 0.0000 | |
| 93 | V | A | 0.0000 | |
| 94 | Y | A | 0.0000 | |
| 95 | Y | A | 0.0000 | |
| 96 | C | A | 0.0000 | |
| 97 | A | A | 0.0000 | |
| 98 | R | A | -0.9958 | |
| 99 | E | A | -1.2599 | |
| 100 | R | A | -1.8481 | |
| 101 | E | A | -2.2686 | |
| 102 | G | A | -1.5834 | |
| 103 | D | A | -1.0265 | |
| 104 | I | A | 0.2147 | |
| 105 | V | A | 0.3269 | |
| 106 | T | A | 0.0000 | |
| 107 | S | A | 0.0159 | |
| 108 | S | A | 0.0000 | |
| 109 | P | A | -0.6156 | |
| 110 | Y | A | 0.0000 | |
| 111 | D | A | -1.3822 | |
| 112 | K | A | -1.1405 | |
| 113 | W | A | -0.4588 | |
| 114 | G | A | 0.0000 | |
| 115 | Q | A | -0.4229 | |
| 116 | G | A | 0.0000 | |
| 117 | T | A | 0.0000 | |
| 118 | L | A | 0.3539 | |
| 119 | V | A | 0.0000 | |
| 120 | T | A | -0.3823 | |
| 121 | V | A | 0.0000 | |
| 122 | S | A | -2.0896 | |
| 123 | S | A | -2.4818 | |
| 124 | D | A | -3.3510 | |
| 125 | K | A | -3.2213 | |
| 126 | T | A | -1.8449 | |
| 127 | H | A | -1.7030 | |
| 128 | T | A | -0.5705 | |
| 129 | C | A | 0.5602 | |
| 130 | P | A | 0.1212 | |
| 131 | P | A | -0.0804 | |
| 132 | C | A | 0.1491 | |
| 133 | P | A | -0.3103 | |
| 134 | A | A | -0.8664 | |
| 135 | P | A | -1.6151 | |
| 136 | E | A | -1.9686 | |
| 137 | A | A | -1.0091 | |
| 138 | A | A | -1.0258 | |
| 139 | G | A | -1.3285 | |
| 140 | G | A | -1.1301 | |
| 141 | P | A | 0.0000 | |
| 142 | S | A | -0.4146 | |
| 143 | V | A | 0.0000 | |
| 144 | F | A | 0.0000 | |
| 145 | L | A | 0.0000 | |
| 146 | F | A | 0.0000 | |
| 147 | P | A | -0.5932 | |
| 148 | P | A | 0.0000 | |
| 149 | K | A | -2.4771 | |
| 150 | P | A | -1.2562 | |
| 151 | K | A | -1.3770 | |
| 152 | D | A | -1.9335 | |
| 153 | T | A | 0.0000 | |
| 154 | L | A | 0.0000 | |
| 155 | Y | A | -0.6606 | |
| 156 | I | A | -0.6735 | |
| 157 | T | A | -0.7012 | |
| 158 | R | A | -2.3556 | |
| 159 | E | A | -2.7878 | |
| 160 | P | A | 0.0000 | |
| 161 | E | A | -1.7639 | |
| 162 | V | A | 0.0000 | |
| 163 | T | A | -0.4552 | |
| 164 | C | A | 0.0000 | |
| 165 | V | A | 0.0000 | |
| 166 | V | A | 0.0000 | |
| 167 | V | A | 0.0000 | |
| 168 | D | A | -0.8041 | |
| 169 | V | A | 0.0000 | |
| 170 | S | A | -1.7649 | |
| 171 | H | A | -2.0514 | |
| 172 | E | A | -2.6961 | |
| 173 | D | A | -2.3404 | |
| 174 | P | A | -2.4070 | |
| 175 | E | A | -2.9947 | |
| 176 | V | A | -1.9864 | |
| 177 | K | A | -2.2486 | |
| 178 | F | A | -1.3913 | |
| 179 | N | A | -1.1401 | |
| 180 | W | A | 0.0000 | |
| 181 | Y | A | -0.5616 | |
| 182 | V | A | -0.8131 | |
| 183 | D | A | -1.9898 | |
| 184 | G | A | -0.8018 | |
| 185 | V | A | 0.6416 | |
| 186 | E | A | -0.5988 | |
| 187 | V | A | -0.5070 | |
| 188 | H | A | -1.8640 | |
| 189 | N | A | -2.1670 | |
| 190 | A | A | -1.8911 | |
| 191 | K | A | -2.4490 | |
| 192 | T | A | -1.9679 | |
| 193 | K | A | -2.2247 | |
| 194 | P | A | -2.1790 | |
| 195 | R | A | -3.0807 | |
| 196 | E | A | -2.8751 | |
| 197 | E | A | -2.7244 | |
| 198 | Q | A | 0.0000 | |
| 199 | Y | A | 0.4370 | |
| 200 | N | A | 0.0000 | |
| 201 | S | A | -0.4844 | |
| 202 | T | A | -1.2113 | |
| 203 | Y | A | 0.0000 | |
| 204 | R | A | -1.8925 | |
| 205 | V | A | 0.0000 | |
| 206 | V | A | 0.0000 | |
| 207 | S | A | 0.0000 | |
| 208 | V | A | 0.0000 | |
| 209 | L | A | 0.0000 | |
| 210 | T | A | -1.2333 | |
| 211 | V | A | 0.0000 | |
| 212 | L | A | -0.8332 | |
| 213 | H | A | 0.0000 | |
| 214 | Q | A | -1.1908 | |
| 215 | D | A | -1.4719 | |
| 216 | W | A | 0.0000 | |
| 217 | L | A | -0.9361 | |
| 218 | N | A | -2.0335 | |
| 219 | G | A | -1.9602 | |
| 220 | K | A | -2.1783 | |
| 221 | E | A | -2.1650 | |
| 222 | Y | A | 0.0000 | |
| 223 | K | A | -1.4716 | |
| 224 | C | A | 0.0000 | |
| 225 | K | A | -1.4224 | |
| 226 | V | A | 0.0000 | |
| 227 | S | A | -1.4650 | |
| 228 | N | A | 0.0000 | |
| 229 | K | A | -2.5283 | |
| 230 | A | A | -1.7418 | |
| 231 | L | A | -0.7916 | |
| 232 | P | A | -0.6851 | |
| 233 | A | A | -0.4325 | |
| 234 | P | A | -0.8676 | |
| 235 | I | A | -0.6700 | |
| 236 | E | A | -1.9718 | |
| 237 | K | A | -1.3071 | |
| 238 | T | A | -1.2236 | |
| 239 | I | A | -0.4947 | |
| 240 | S | A | -1.2597 | |
| 241 | K | A | 0.0000 | |
| 242 | A | A | -1.0869 | |
| 243 | K | A | -2.3335 | |
| 244 | G | A | -2.0135 | |
| 245 | Q | A | -2.0592 | |
| 246 | P | A | -1.9604 | |
| 247 | R | A | -2.4689 | |
| 248 | E | A | -2.6677 | |
| 249 | P | A | 0.0000 | |
| 250 | Q | A | -1.2013 | |
| 251 | V | A | 0.0000 | |
| 252 | Y | A | 0.0000 | |
| 253 | T | A | 0.0000 | |
| 254 | L | A | 0.0000 | |
| 255 | P | A | -0.2959 | |
| 256 | P | A | 0.0000 | |
| 257 | S | A | 0.0000 | |
| 258 | R | A | -2.6417 | |
| 259 | E | A | -2.4861 | |
| 260 | E | A | 0.0000 | |
| 261 | M | A | -1.7629 | |
| 262 | T | A | -1.5193 | |
| 263 | K | A | -2.1035 | |
| 264 | N | A | -2.4251 | |
| 265 | Q | A | -2.2008 | |
| 266 | V | A | 0.0000 | |
| 267 | S | A | 0.0000 | |
| 268 | L | A | 0.0000 | |
| 269 | T | A | 0.0000 | |
| 270 | C | A | 0.0000 | |
| 271 | L | A | 0.0000 | |
| 272 | V | A | 0.0000 | |
| 273 | K | A | -0.7272 | |
| 274 | G | A | 0.0000 | |
| 275 | F | A | 0.0000 | |
| 276 | Y | A | 0.0000 | |
| 277 | P | A | 0.0000 | |
| 278 | S | A | 0.0000 | |
| 279 | D | A | -0.6950 | |
| 280 | I | A | -0.4685 | |
| 281 | A | A | -0.4796 | |
| 282 | V | A | 0.0000 | |
| 283 | E | A | -0.6962 | |
| 284 | W | A | 0.0000 | |
| 285 | E | A | -1.2151 | |
| 286 | S | A | 0.0000 | |
| 287 | N | A | -1.6936 | |
| 288 | G | A | -1.3782 | |
| 289 | Q | A | -2.0192 | |
| 290 | P | A | -1.6106 | |
| 291 | E | A | 0.0000 | |
| 292 | N | A | -1.8196 | |
| 293 | N | A | -1.2439 | |
| 294 | Y | A | -0.6466 | |
| 295 | K | A | -0.5855 | |
| 296 | T | A | -0.4396 | |
| 297 | T | A | 0.0000 | |
| 298 | P | A | -0.3536 | |
| 299 | P | A | 0.0000 | |
| 300 | V | A | 0.1334 | |
| 301 | L | A | 0.0000 | |
| 302 | D | A | -0.9334 | |
| 303 | S | A | -1.2971 | |
| 304 | D | A | -1.9310 | |
| 305 | G | A | -0.9478 | |
| 306 | S | A | 0.0000 | |
| 307 | F | A | 0.0000 | |
| 308 | F | A | 0.0000 | |
| 309 | L | A | 0.0000 | |
| 310 | Y | A | 0.0000 | |
| 311 | S | A | 0.0000 | |
| 312 | K | A | 0.0000 | |
| 313 | L | A | 0.0000 | |
| 314 | T | A | -0.7438 | |
| 315 | V | A | 0.0000 | |
| 316 | D | A | -2.2612 | |
| 317 | K | A | -2.4206 | |
| 318 | S | A | -2.1619 | |
| 319 | R | A | -2.0323 | |
| 320 | W | A | 0.0000 | |
| 321 | Q | A | -2.3935 | |
| 322 | Q | A | -2.2255 | |
| 323 | G | A | -1.4038 | |
| 324 | N | A | -1.2594 | |
| 325 | V | A | -0.0872 | |
| 326 | F | A | 0.0000 | |
| 327 | S | A | 0.0000 | |
| 328 | C | A | 0.0000 | |
| 329 | S | A | 0.0000 | |
| 330 | V | A | 0.0000 | |
| 331 | M | A | 0.0000 | |
| 332 | H | A | 0.0000 | |
| 333 | E | A | -1.1663 | |
| 334 | A | A | -1.5571 | |
| 335 | L | A | -1.3793 | |
| 336 | H | A | -1.7086 | |
| 337 | N | A | -1.2062 | |
| 338 | H | A | -0.8678 | |
| 339 | Y | A | 0.0000 | |
| 340 | T | A | 0.0000 | |
| 341 | Q | A | 0.0000 | |
| 342 | K | A | 0.0000 | |
| 343 | S | A | 0.0000 | |
| 344 | L | A | 0.0000 | |
| 345 | S | A | -0.4024 | |
| 346 | L | A | -0.5898 | |
| 347 | S | A | -0.7175 | |
| 348 | P | A | -1.0070 | |
| 349 | G | A | -1.0478 | |
| 350 | G | A | -1.3049 | |
| 351 | G | A | -1.2897 | |
| 352 | G | A | -1.3198 | |
| 353 | G | A | -1.1395 | |
| 354 | S | A | -0.9780 | |
| 355 | G | A | -1.3593 | |
| 356 | G | A | -0.9622 | |
| 357 | G | A | -1.3202 | |
| 358 | G | A | -0.8688 | |
| 359 | S | A | -0.8903 | |
| 360 | Q | A | -0.9911 | |
| 361 | V | A | 0.0000 | |
| 362 | Q | A | -0.7415 | |
| 363 | L | A | 0.0000 | |
| 364 | V | A | 1.1972 | |
| 365 | Q | A | 0.0000 | |
| 366 | S | A | -0.6477 | |
| 367 | G | A | -1.2491 | |
| 368 | G | A | -0.8508 | |
| 369 | G | A | -0.0625 | |
| 370 | L | A | 1.0227 | |
| 371 | V | A | -0.0240 | |
| 372 | Q | A | -1.3149 | |
| 373 | P | A | -1.5483 | |
| 374 | G | A | -1.4299 | |
| 375 | G | A | -0.9745 | |
| 376 | S | A | -1.2936 | |
| 377 | L | A | -0.9479 | |
| 378 | R | A | -2.1904 | |
| 379 | L | A | 0.0000 | |
| 380 | S | A | -0.4934 | |
| 381 | C | A | 0.0000 | |
| 382 | A | A | -0.0903 | |
| 383 | A | A | 0.0000 | |
| 384 | S | A | -0.5357 | |
| 385 | G | A | -0.6102 | |
| 386 | F | A | -0.3367 | |
| 387 | T | A | -0.3124 | |
| 388 | F | A | 0.0000 | |
| 389 | S | A | -1.4133 | |
| 390 | A | A | -1.0614 | |
| 391 | F | A | 0.0000 | |
| 392 | S | A | 0.0000 | |
| 393 | M | A | 0.0000 | |
| 394 | S | A | 0.0000 | |
| 395 | W | A | 0.0000 | |
| 396 | V | A | 0.0000 | |
| 397 | R | A | 0.0000 | |
| 398 | Q | A | -0.7826 | |
| 399 | A | A | -1.3114 | |
| 400 | P | A | -1.0231 | |
| 401 | G | A | -1.5019 | |
| 402 | K | A | -2.2145 | |
| 403 | G | A | -1.7618 | |
| 404 | L | A | -0.8842 | |
| 405 | E | A | -0.7357 | |
| 406 | W | A | 0.3108 | |
| 407 | V | A | 0.0000 | |
| 408 | A | A | 0.0000 | |
| 409 | Y | A | 0.4625 | |
| 410 | I | A | 0.0000 | |
| 411 | N | A | 0.0000 | |
| 412 | Q | A | -2.0499 | |
| 413 | D | A | -2.7172 | |
| 414 | G | A | -2.0778 | |
| 415 | S | A | -1.7566 | |
| 416 | E | A | -1.9769 | |
| 417 | K | A | -0.8688 | |
| 418 | Y | A | 0.0683 | |
| 419 | Y | A | -0.6076 | |
| 420 | D | A | -1.4433 | |
| 421 | D | A | -2.4610 | |
| 422 | S | A | -1.7454 | |
| 423 | V | A | 0.0000 | |
| 424 | K | A | -2.2428 | |
| 425 | G | A | -1.6329 | |
| 426 | R | A | -1.3793 | |
| 427 | F | A | 0.0000 | |
| 428 | T | A | -0.7436 | |
| 429 | I | A | 0.0000 | |
| 430 | S | A | -0.7655 | |
| 431 | R | A | -1.4679 | |
| 432 | D | A | -1.9214 | |
| 433 | N | A | -2.0565 | |
| 434 | A | A | -1.4001 | |
| 435 | K | A | -2.3325 | |
| 436 | N | A | -1.7480 | |
| 437 | S | A | -1.0929 | |
| 438 | L | A | 0.0000 | |
| 439 | S | A | -0.7923 | |
| 440 | L | A | 0.0000 | |
| 441 | Q | A | -1.1992 | |
| 442 | M | A | 0.0000 | |
| 443 | N | A | -1.5427 | |
| 444 | S | A | -1.3136 | |
| 445 | L | A | 0.0000 | |
| 446 | R | A | -2.2610 | |
| 447 | A | A | -1.6875 | |
| 448 | E | A | -2.2148 | |
| 449 | D | A | 0.0000 | |
| 450 | T | A | -0.7941 | |
| 451 | A | A | 0.0000 | |
| 452 | V | A | -0.2041 | |
| 453 | Y | A | 0.0000 | |
| 454 | Y | A | -0.0070 | |
| 455 | C | A | 0.0000 | |
| 456 | A | A | 0.0000 | |
| 457 | R | A | 0.0000 | |
| 458 | D | A | 0.3725 | |
| 459 | I | A | 1.9091 | |
| 460 | A | A | 0.0000 | |
| 461 | A | A | 0.5557 | |
| 462 | P | A | 0.0000 | |
| 463 | P | A | 0.0000 | |
| 464 | L | A | 0.0000 | |
| 465 | G | A | 0.0000 | |
| 466 | Q | A | -1.2764 | |
| 467 | G | A | -0.7297 | |
| 468 | T | A | 0.0000 | |
| 469 | Q | A | -1.0757 | |
| 470 | V | A | 0.0000 | |
| 471 | T | A | -0.2936 | |
| 472 | V | A | 0.0000 | |
| 473 | S | A | -0.7371 | |
| 474 | S | A | -0.6618 | |
| 1 | Q | B | -1.5220 | |
| 2 | V | B | -1.0645 | |
| 3 | Q | B | -1.2969 | |
| 4 | L | B | 0.0000 | |
| 5 | V | B | 0.1731 | |
| 6 | Q | B | 0.0000 | |
| 7 | S | B | -0.4174 | |
| 8 | G | B | -0.3230 | |
| 9 | A | B | -0.1449 | |
| 10 | E | B | -0.8468 | |
| 11 | V | B | -0.3034 | |
| 12 | K | B | -1.8200 | |
| 13 | K | B | -2.8956 | |
| 14 | P | B | -2.4922 | |
| 15 | G | B | -1.6436 | |
| 16 | S | B | -1.3087 | |
| 17 | S | B | -1.4645 | |
| 18 | V | B | 0.0000 | |
| 19 | K | B | -2.2022 | |
| 20 | V | B | 0.0000 | |
| 21 | S | B | -0.6302 | |
| 22 | C | B | 0.0000 | |
| 23 | K | B | -0.8993 | |
| 24 | A | B | 0.0000 | |
| 25 | S | B | -0.9131 | |
| 26 | G | B | -1.1846 | |
| 27 | G | B | -0.7770 | |
| 28 | T | B | -0.5345 | |
| 29 | F | B | -0.4980 | |
| 30 | S | B | -0.0124 | |
| 31 | S | B | -0.3990 | |
| 32 | Y | B | -0.2693 | |
| 33 | T | B | -0.3365 | |
| 34 | I | B | 0.0000 | |
| 35 | S | B | 0.0000 | |
| 36 | W | B | 0.0000 | |
| 37 | V | B | 0.0000 | |
| 38 | R | B | 0.0000 | |
| 39 | Q | B | 0.0000 | |
| 40 | A | B | -0.8883 | |
| 41 | P | B | -0.8552 | |
| 42 | G | B | -1.3373 | |
| 43 | Q | B | -1.5270 | |
| 44 | G | B | -1.0266 | |
| 45 | F | B | 0.0000 | |
| 46 | E | B | -0.4317 | |
| 47 | W | B | 0.0230 | |
| 48 | M | B | 0.0000 | |
| 49 | G | B | 0.0000 | |
| 50 | K | B | -0.3289 | |
| 51 | I | B | 0.0000 | |
| 52 | I | B | 0.0000 | |
| 53 | P | B | 0.0000 | |
| 54 | L | B | -0.4956 | |
| 55 | I | B | -0.5221 | |
| 56 | G | B | -0.7767 | |
| 57 | E | B | 0.0000 | |
| 58 | T | B | -0.0772 | |
| 59 | K | B | -0.1055 | |
| 60 | Y | B | -0.2125 | |
| 61 | A | B | 0.0000 | |
| 62 | P | B | -0.3918 | |
| 63 | K | B | -0.9277 | |
| 64 | F | B | 0.0000 | |
| 65 | Q | B | -0.7460 | |
| 66 | G | B | -1.0880 | |
| 67 | R | B | -0.9631 | |
| 68 | V | B | 0.0000 | |
| 69 | T | B | -0.8049 | |
| 70 | I | B | 0.0000 | |
| 71 | T | B | -0.5207 | |
| 72 | A | B | -0.8897 | |
| 73 | D | B | -1.6721 | |
| 74 | K | B | -2.1550 | |
| 75 | S | B | -1.3280 | |
| 76 | T | B | -1.1721 | |
| 77 | N | B | -1.4749 | |
| 78 | T | B | 0.0000 | |
| 79 | V | B | 0.0000 | |
| 80 | Y | B | -0.6796 | |
| 81 | L | B | 0.0000 | |
| 82 | E | B | -1.6975 | |
| 83 | L | B | 0.0000 | |
| 84 | S | B | -1.2286 | |
| 85 | S | B | -1.2640 | |
| 86 | L | B | 0.0000 | |
| 87 | R | B | -3.1321 | |
| 88 | S | B | -2.3902 | |
| 89 | E | B | -2.5550 | |
| 90 | D | B | 0.0000 | |
| 91 | T | B | -0.9669 | |
| 92 | A | B | 0.0000 | |
| 93 | V | B | 0.0000 | |
| 94 | Y | B | 0.0000 | |
| 95 | Y | B | 0.0000 | |
| 96 | C | B | 0.0000 | |
| 97 | A | B | 0.0000 | |
| 98 | R | B | -0.9933 | |
| 99 | E | B | -1.2355 | |
| 100 | R | B | -1.7551 | |
| 101 | E | B | -2.3754 | |
| 102 | G | B | -1.5786 | |
| 103 | D | B | -0.9706 | |
| 104 | I | B | 0.1587 | |
| 105 | V | B | 0.3119 | |
| 106 | T | B | 0.0000 | |
| 107 | S | B | 0.0800 | |
| 108 | S | B | 0.0000 | |
| 109 | P | B | -0.6192 | |
| 110 | Y | B | 0.0000 | |
| 111 | D | B | -1.4168 | |
| 112 | K | B | -1.2704 | |
| 113 | W | B | -0.4331 | |
| 114 | G | B | 0.0000 | |
| 115 | Q | B | -0.3421 | |
| 116 | G | B | 0.0000 | |
| 117 | T | B | 0.0000 | |
| 118 | L | B | 0.0000 | |
| 119 | V | B | 0.0000 | |
| 120 | T | B | 0.0000 | |
| 121 | V | B | 0.0000 | |
| 122 | S | B | -2.1857 | |
| 123 | S | B | -2.4982 | |
| 124 | D | B | -3.3219 | |
| 125 | K | B | -3.0887 | |
| 126 | T | B | -1.8303 | |
| 127 | H | B | -1.7076 | |
| 128 | T | B | -0.7208 | |
| 129 | C | B | 0.1270 | |
| 130 | P | B | -0.0655 | |
| 131 | P | B | -0.2008 | |
| 132 | C | B | -0.0659 | |
| 133 | P | B | -0.3944 | |
| 134 | A | B | -0.9878 | |
| 135 | P | B | -1.6604 | |
| 136 | E | B | -1.9159 | |
| 137 | A | B | -0.9749 | |
| 138 | A | B | -1.0125 | |
| 139 | G | B | -1.2365 | |
| 140 | G | B | -1.1231 | |
| 141 | P | B | 0.0000 | |
| 142 | S | B | -0.4423 | |
| 143 | V | B | 0.0000 | |
| 144 | F | B | 0.0000 | |
| 145 | L | B | 0.0000 | |
| 146 | F | B | -0.1872 | |
| 147 | P | B | -0.4020 | |
| 148 | P | B | 0.0000 | |
| 149 | K | B | -2.2921 | |
| 150 | P | B | 0.0000 | |
| 151 | K | B | -1.5140 | |
| 152 | D | B | 0.0000 | |
| 153 | T | B | 0.0000 | |
| 154 | L | B | 0.0000 | |
| 155 | Y | B | -0.7009 | |
| 156 | I | B | -0.6374 | |
| 157 | T | B | -0.9095 | |
| 158 | R | B | -2.3251 | |
| 159 | E | B | -2.7043 | |
| 160 | P | B | 0.0000 | |
| 161 | E | B | -1.6663 | |
| 162 | V | B | 0.0000 | |
| 163 | T | B | -0.3973 | |
| 164 | C | B | 0.0000 | |
| 165 | V | B | 0.0000 | |
| 166 | V | B | 0.0000 | |
| 167 | V | B | 0.0000 | |
| 168 | D | B | -0.8288 | |
| 169 | V | B | 0.0000 | |
| 170 | S | B | -1.9991 | |
| 171 | H | B | -2.4954 | |
| 172 | E | B | -2.9175 | |
| 173 | D | B | -2.5061 | |
| 174 | P | B | -2.5770 | |
| 175 | E | B | -3.0531 | |
| 176 | V | B | -1.9828 | |
| 177 | K | B | -2.2464 | |
| 178 | F | B | -1.3691 | |
| 179 | N | B | -1.1338 | |
| 180 | W | B | 0.0000 | |
| 181 | Y | B | -0.6801 | |
| 182 | V | B | -0.9884 | |
| 183 | D | B | -2.2510 | |
| 184 | G | B | -0.9462 | |
| 185 | V | B | 0.5400 | |
| 186 | E | B | -0.6775 | |
| 187 | V | B | -0.5400 | |
| 188 | H | B | -1.8790 | |
| 189 | N | B | -2.1750 | |
| 190 | A | B | -1.8686 | |
| 191 | K | B | -2.3704 | |
| 192 | T | B | -1.7983 | |
| 193 | K | B | -1.8662 | |
| 194 | P | B | -1.9370 | |
| 195 | R | B | -2.8178 | |
| 196 | E | B | -2.6481 | |
| 197 | E | B | -2.6856 | |
| 198 | Q | B | 0.0000 | |
| 199 | Y | B | 0.3711 | |
| 200 | N | B | 0.0000 | |
| 201 | S | B | -0.5621 | |
| 202 | T | B | 0.0000 | |
| 203 | Y | B | 0.0000 | |
| 204 | R | B | -1.8196 | |
| 205 | V | B | 0.0000 | |
| 206 | V | B | 0.0000 | |
| 207 | S | B | 0.0000 | |
| 208 | V | B | 0.0000 | |
| 209 | L | B | 0.0000 | |
| 210 | T | B | -1.2112 | |
| 211 | V | B | 0.0000 | |
| 212 | L | B | -0.6152 | |
| 213 | H | B | -1.0411 | |
| 214 | Q | B | -1.4246 | |
| 215 | D | B | -1.6152 | |
| 216 | W | B | 0.0000 | |
| 217 | L | B | -1.0355 | |
| 218 | N | B | -2.1435 | |
| 219 | G | B | -2.0880 | |
| 220 | K | B | -2.3672 | |
| 221 | E | B | -2.4715 | |
| 222 | Y | B | 0.0000 | |
| 223 | K | B | -1.5837 | |
| 224 | C | B | 0.0000 | |
| 225 | K | B | -1.3443 | |
| 226 | V | B | 0.0000 | |
| 227 | S | B | -1.4420 | |
| 228 | N | B | 0.0000 | |
| 229 | K | B | -2.5399 | |
| 230 | A | B | -1.7489 | |
| 231 | L | B | -0.7920 | |
| 232 | P | B | -0.5051 | |
| 233 | A | B | -0.4057 | |
| 234 | P | B | -0.8326 | |
| 235 | I | B | -0.6030 | |
| 236 | E | B | -1.8456 | |
| 237 | K | B | -1.2209 | |
| 238 | T | B | -1.2532 | |
| 239 | I | B | -0.5335 | |
| 240 | S | B | -1.3429 | |
| 241 | K | B | 0.0000 | |
| 242 | A | B | -1.0517 | |
| 243 | K | B | -2.3209 | |
| 244 | G | B | -1.9071 | |
| 245 | Q | B | -1.9057 | |
| 246 | P | B | -1.6813 | |
| 247 | R | B | -1.8893 | |
| 248 | E | B | -2.3971 | |
| 249 | P | B | 0.0000 | |
| 250 | Q | B | -1.2159 | |
| 251 | V | B | 0.0000 | |
| 252 | Y | B | 0.0000 | |
| 253 | T | B | 0.0000 | |
| 254 | L | B | 0.0000 | |
| 255 | P | B | -0.3868 | |
| 256 | P | B | 0.0000 | |
| 257 | S | B | 0.0000 | |
| 258 | R | B | -2.2260 | |
| 259 | E | B | -2.1106 | |
| 260 | E | B | 0.0000 | |
| 261 | M | B | -1.5960 | |
| 262 | T | B | -1.4239 | |
| 263 | K | B | -2.0892 | |
| 264 | N | B | -2.4203 | |
| 265 | Q | B | -2.1596 | |
| 266 | V | B | 0.0000 | |
| 267 | S | B | 0.0000 | |
| 268 | L | B | 0.0000 | |
| 269 | T | B | 0.0000 | |
| 270 | C | B | 0.0000 | |
| 271 | L | B | 0.0000 | |
| 272 | V | B | 0.0000 | |
| 273 | K | B | -0.7147 | |
| 274 | G | B | -1.2003 | |
| 275 | F | B | 0.0000 | |
| 276 | Y | B | 0.0000 | |
| 277 | P | B | 0.0000 | |
| 278 | S | B | 0.0000 | |
| 279 | D | B | -0.7955 | |
| 280 | I | B | 0.0000 | |
| 281 | A | B | -0.7589 | |
| 282 | V | B | 0.0000 | |
| 283 | E | B | -1.1727 | |
| 284 | W | B | 0.0000 | |
| 285 | E | B | -1.3595 | |
| 286 | S | B | 0.0000 | |
| 287 | N | B | -1.7557 | |
| 288 | G | B | -1.4134 | |
| 289 | Q | B | -2.0038 | |
| 290 | P | B | -1.6974 | |
| 291 | E | B | 0.0000 | |
| 292 | N | B | -1.9584 | |
| 293 | N | B | -1.3962 | |
| 294 | Y | B | -0.8043 | |
| 295 | K | B | -0.6617 | |
| 296 | T | B | -0.5196 | |
| 297 | T | B | 0.0000 | |
| 298 | P | B | -0.3856 | |
| 299 | P | B | 0.0000 | |
| 300 | V | B | 0.1011 | |
| 301 | L | B | 0.0000 | |
| 302 | D | B | -0.9651 | |
| 303 | S | B | -1.2616 | |
| 304 | D | B | -1.9336 | |
| 305 | G | B | 0.0000 | |
| 306 | S | B | 0.0000 | |
| 307 | F | B | 0.0000 | |
| 308 | F | B | 0.0000 | |
| 309 | L | B | 0.0000 | |
| 310 | Y | B | 0.0000 | |
| 311 | S | B | 0.0000 | |
| 312 | K | B | 0.0000 | |
| 313 | L | B | 0.0000 | |
| 314 | T | B | -0.7800 | |
| 315 | V | B | 0.0000 | |
| 316 | D | B | -2.2479 | |
| 317 | K | B | -2.4219 | |
| 318 | S | B | -2.1421 | |
| 319 | R | B | -2.0272 | |
| 320 | W | B | 0.0000 | |
| 321 | Q | B | -2.3377 | |
| 322 | Q | B | -2.2567 | |
| 323 | G | B | -1.4618 | |
| 324 | N | B | -1.3396 | |
| 325 | V | B | -0.4651 | |
| 326 | F | B | 0.0000 | |
| 327 | S | B | 0.0000 | |
| 328 | C | B | 0.0000 | |
| 329 | S | B | 0.0000 | |
| 330 | V | B | 0.0000 | |
| 331 | M | B | 0.0000 | |
| 332 | H | B | 0.0000 | |
| 333 | E | B | -1.1188 | |
| 334 | A | B | -1.3525 | |
| 335 | L | B | -1.2561 | |
| 336 | H | B | -1.6373 | |
| 337 | N | B | -1.1431 | |
| 338 | H | B | -0.8179 | |
| 339 | Y | B | 0.0000 | |
| 340 | T | B | 0.0000 | |
| 341 | Q | B | 0.0000 | |
| 342 | K | B | -0.5686 | |
| 343 | S | B | 0.0000 | |
| 344 | L | B | 0.0000 | |
| 345 | S | B | -0.5662 | |
| 346 | L | B | -0.6306 | |
| 347 | S | B | -0.8408 | |
| 348 | P | B | -1.1972 | |
| 349 | G | B | -1.0429 | |
| 350 | G | B | -1.3125 | |
| 351 | G | B | -1.2936 | |
| 352 | G | B | -1.3210 | |
| 353 | G | B | -1.1981 | |
| 354 | S | B | -1.1130 | |
| 355 | G | B | -1.5937 | |
| 356 | G | B | -1.4304 | |
| 357 | G | B | -1.7075 | |
| 358 | G | B | -1.2054 | |
| 359 | S | B | -1.0510 | |
| 360 | Q | B | -1.0406 | |
| 361 | V | B | 0.0000 | |
| 362 | Q | B | -0.8883 | |
| 363 | L | B | 0.0000 | |
| 364 | V | B | 1.0633 | |
| 365 | Q | B | 0.0000 | |
| 366 | S | B | -0.6655 | |
| 367 | G | B | -1.2702 | |
| 368 | G | B | -0.8768 | |
| 369 | G | B | -0.1166 | |
| 370 | L | B | 0.9159 | |
| 371 | V | B | 0.0000 | |
| 372 | Q | B | -1.4502 | |
| 373 | P | B | -1.6757 | |
| 374 | G | B | -1.4960 | |
| 375 | G | B | -1.0405 | |
| 376 | S | B | -1.3340 | |
| 377 | L | B | -0.9764 | |
| 378 | R | B | -2.1868 | |
| 379 | L | B | 0.0000 | |
| 380 | S | B | -0.5253 | |
| 381 | C | B | 0.0000 | |
| 382 | A | B | -0.1637 | |
| 383 | A | B | 0.0000 | |
| 384 | S | B | -0.6822 | |
| 385 | G | B | -0.7049 | |
| 386 | F | B | -0.4574 | |
| 387 | T | B | -0.3734 | |
| 388 | F | B | 0.0000 | |
| 389 | S | B | -1.2825 | |
| 390 | A | B | -0.9082 | |
| 391 | F | B | 0.0000 | |
| 392 | S | B | 0.0000 | |
| 393 | M | B | 0.0000 | |
| 394 | S | B | 0.0000 | |
| 395 | W | B | 0.0000 | |
| 396 | V | B | 0.0000 | |
| 397 | R | B | 0.0000 | |
| 398 | Q | B | -0.8627 | |
| 399 | A | B | -1.3434 | |
| 400 | P | B | -1.0428 | |
| 401 | G | B | -1.3810 | |
| 402 | K | B | -2.1966 | |
| 403 | G | B | -1.8147 | |
| 404 | L | B | -0.9209 | |
| 405 | E | B | -0.7484 | |
| 406 | W | B | 0.3138 | |
| 407 | V | B | 0.0000 | |
| 408 | A | B | 0.0000 | |
| 409 | Y | B | 0.5193 | |
| 410 | I | B | 0.0000 | |
| 411 | N | B | 0.0000 | |
| 412 | Q | B | -2.0457 | |
| 413 | D | B | -2.7209 | |
| 414 | G | B | -2.0793 | |
| 415 | S | B | -1.7509 | |
| 416 | E | B | -1.9406 | |
| 417 | K | B | -0.8037 | |
| 418 | Y | B | 0.1295 | |
| 419 | Y | B | -0.6324 | |
| 420 | D | B | -1.4918 | |
| 421 | D | B | -2.5581 | |
| 422 | S | B | -1.8299 | |
| 423 | V | B | 0.0000 | |
| 424 | K | B | -2.5459 | |
| 425 | G | B | -1.7896 | |
| 426 | R | B | -1.5983 | |
| 427 | F | B | 0.0000 | |
| 428 | T | B | -0.7752 | |
| 429 | I | B | 0.0000 | |
| 430 | S | B | -0.7679 | |
| 431 | R | B | -1.4779 | |
| 432 | D | B | -1.9406 | |
| 433 | N | B | -2.0682 | |
| 434 | A | B | -1.4011 | |
| 435 | K | B | -2.3476 | |
| 436 | N | B | -1.7732 | |
| 437 | S | B | -1.1253 | |
| 438 | L | B | 0.0000 | |
| 439 | S | B | -0.7948 | |
| 440 | L | B | 0.0000 | |
| 441 | Q | B | -1.2205 | |
| 442 | M | B | 0.0000 | |
| 443 | N | B | -1.5478 | |
| 444 | S | B | -1.3309 | |
| 445 | L | B | 0.0000 | |
| 446 | R | B | -2.3681 | |
| 447 | A | B | -1.7490 | |
| 448 | E | B | -2.2356 | |
| 449 | D | B | 0.0000 | |
| 450 | T | B | -0.8366 | |
| 451 | A | B | 0.0000 | |
| 452 | V | B | -0.2622 | |
| 453 | Y | B | 0.0000 | |
| 454 | Y | B | 0.0000 | |
| 455 | C | B | 0.0000 | |
| 456 | A | B | 0.0000 | |
| 457 | R | B | 0.0000 | |
| 458 | D | B | 0.4185 | |
| 459 | I | B | 1.9435 | |
| 460 | A | B | 0.9554 | |
| 461 | A | B | 0.4079 | |
| 462 | P | B | 0.1780 | |
| 463 | P | B | 0.0000 | |
| 464 | L | B | 0.0000 | |
| 465 | G | B | 0.0000 | |
| 466 | Q | B | -1.3053 | |
| 467 | G | B | -0.6823 | |
| 468 | T | B | 0.0000 | |
| 469 | Q | B | -1.1003 | |
| 470 | V | B | 0.0000 | |
| 471 | T | B | -0.3611 | |
| 472 | V | B | 0.0000 | |
| 473 | S | B | -0.8158 | |
| 474 | S | B | -0.7224 |
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