| Chain sequence(s) |
A: SDIQMTQSPSSLSASVGDRVTITCRASQSVSSAVAWYQQKPGKAPKLLIYSASSLYSGVPSRFSGSRSGTDFTLTISSLQPEDFATYYCQQSVSYMGPLTFGQGTKVEIKRTVAAPSVFIFPPSDSQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRG
C: SDIQMTQSPSSLSASVGDRVTITCRASQSVSSAVAWYQQKPGKAPKLLIYSASSLYSGVPSRFSGSRSGTDFTLTISSLQPEDFATYYCQQSVSYMGPLTFGQGTKVEIKRTVAAPSVFIFPPSDSQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRG B: VQLVESGGGLVQPGGSLRLSCAASGFNFYSSYIHWVRQAPGKGLEWVASISPYSGSTSYADSVKGRFTISADTSKNTAYLQMNSLRAEDTAVYYCARYSWPWVSYKPYYGLHFSAMDYWGQGTLVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKS D: ISEVQLVESGGGLVQPGGSLRLSCAASGFNFYSSYIHWVRQAPGKGLEWVASISPYSGSTSYADSVKGRFTISADTSKNTAYLQMNSLRAEDTAVYYCARYSWPWVSYKPYYGLHFSAMDYWGQGTLVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKSCD 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 (00:00:03)
[INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:12:34)
[INFO] Main: Simulation completed successfully. (00:12:51)
|
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 | |
| 0 | S | A | -1.2901 | |
| 1 | D | A | -2.2786 | |
| 2 | I | A | 0.0000 | |
| 3 | Q | A | -1.8842 | |
| 4 | M | A | 0.0000 | |
| 5 | T | A | -0.9023 | |
| 6 | Q | A | 0.0000 | |
| 7 | S | A | -0.6165 | |
| 8 | P | A | -0.5608 | |
| 9 | S | A | -0.7786 | |
| 10 | S | A | -0.7326 | |
| 11 | L | A | -0.4340 | |
| 12 | S | A | -0.5713 | |
| 13 | A | A | -0.7755 | |
| 14 | S | A | -0.7422 | |
| 15 | V | A | -0.1112 | |
| 16 | G | A | -0.8884 | |
| 17 | D | A | -1.8080 | |
| 18 | R | A | -2.3149 | |
| 19 | V | A | 0.0000 | |
| 20 | T | A | -0.6377 | |
| 21 | I | A | 0.0000 | |
| 22 | T | A | -0.5703 | |
| 23 | C | A | 0.0000 | |
| 24 | R | A | -1.3722 | |
| 25 | A | A | 0.0000 | |
| 26 | S | A | -1.1316 | |
| 27 | Q | A | -0.8457 | |
| 28 | S | A | -0.4815 | |
| 29 | V | A | 0.0000 | |
| 30 | S | A | 0.0000 | |
| 31 | S | A | -0.3622 | |
| 32 | A | A | 0.0000 | |
| 33 | V | A | 0.0000 | |
| 34 | A | A | 0.0000 | |
| 35 | W | A | 0.0000 | |
| 36 | Y | A | 0.0000 | |
| 37 | Q | A | 0.0000 | |
| 38 | Q | A | 0.0000 | |
| 39 | K | A | -1.7084 | |
| 40 | P | A | -1.5039 | |
| 41 | G | A | -1.6309 | |
| 42 | K | A | -2.5550 | |
| 43 | A | A | -1.6433 | |
| 44 | P | A | 0.0000 | |
| 45 | K | A | -1.7210 | |
| 46 | L | A | 0.0000 | |
| 47 | L | A | 0.0000 | |
| 48 | I | A | 0.0000 | |
| 49 | Y | A | 0.4396 | |
| 50 | S | A | 0.0132 | |
| 51 | A | A | 0.0000 | |
| 52 | S | A | -0.1525 | |
| 53 | S | A | 0.2306 | |
| 54 | L | A | 0.6923 | |
| 55 | Y | A | 0.2921 | |
| 56 | S | A | -0.1418 | |
| 57 | G | A | -0.3638 | |
| 58 | V | A | -0.2202 | |
| 59 | P | A | -0.2802 | |
| 60 | S | A | -0.3637 | |
| 61 | R | A | -0.7346 | |
| 62 | F | A | 0.0000 | |
| 63 | S | A | -0.2512 | |
| 64 | G | A | -0.2825 | |
| 65 | S | A | -0.8515 | |
| 66 | R | A | -1.3350 | |
| 67 | S | A | -1.1853 | |
| 68 | G | A | -1.1560 | |
| 69 | T | A | -1.1280 | |
| 70 | D | A | -1.6446 | |
| 71 | F | A | 0.0000 | |
| 72 | T | A | -0.6558 | |
| 73 | L | A | 0.0000 | |
| 74 | T | A | -0.6224 | |
| 75 | I | A | 0.0000 | |
| 76 | S | A | -1.3748 | |
| 77 | S | A | -1.2202 | |
| 78 | L | A | 0.0000 | |
| 79 | Q | A | -1.0342 | |
| 80 | P | A | -1.6346 | |
| 81 | E | A | -1.9152 | |
| 82 | D | A | 0.0000 | |
| 83 | F | A | 0.0000 | |
| 84 | A | A | 0.0000 | |
| 85 | T | A | -0.8027 | |
| 86 | Y | A | 0.0000 | |
| 87 | Y | A | 0.0000 | |
| 88 | C | A | 0.0000 | |
| 89 | Q | A | 0.0000 | |
| 90 | Q | A | 0.0000 | |
| 91 | S | A | 0.0000 | |
| 92 | V | A | 0.6039 | |
| 93 | S | A | 0.6304 | |
| 94 | Y | A | 1.2705 | |
| 95 | M | A | 0.5978 | |
| 96 | G | A | 0.1501 | |
| 97 | P | A | -0.5213 | |
| 98 | L | A | 0.0000 | |
| 99 | T | A | -0.7140 | |
| 100 | F | A | -0.4291 | |
| 101 | G | A | 0.0000 | |
| 102 | Q | A | -1.4326 | |
| 103 | G | A | 0.0000 | |
| 104 | T | A | 0.0000 | |
| 105 | K | A | -1.4879 | |
| 106 | V | A | 0.0000 | |
| 107 | E | A | -1.0540 | |
| 108 | I | A | 0.0000 | |
| 109 | K | A | -0.8973 | |
| 110 | R | A | -0.7551 | |
| 111 | T | A | -0.1015 | |
| 112 | V | A | 0.3182 | |
| 113 | A | A | -0.1131 | |
| 114 | A | A | -0.1872 | |
| 115 | P | A | 0.0000 | |
| 116 | S | A | -0.2088 | |
| 117 | V | A | 0.0000 | |
| 118 | F | A | 0.0862 | |
| 119 | I | A | 0.1059 | |
| 120 | F | A | 0.0000 | |
| 121 | P | A | -0.5657 | |
| 122 | P | A | 0.0000 | |
| 123 | S | A | -1.3620 | |
| 124 | D | A | -2.2564 | |
| 125 | S | A | -1.5994 | |
| 126 | Q | A | 0.0000 | |
| 127 | L | A | -1.6570 | |
| 128 | K | A | -2.3362 | |
| 129 | S | A | -1.4156 | |
| 130 | G | A | -1.1440 | |
| 131 | T | A | -0.8116 | |
| 132 | A | A | 0.0000 | |
| 133 | S | A | 0.0000 | |
| 134 | V | A | 0.0000 | |
| 135 | V | A | 0.0000 | |
| 136 | C | A | 0.0000 | |
| 137 | L | A | 0.0000 | |
| 138 | L | A | 0.0000 | |
| 139 | N | A | 0.0000 | |
| 140 | N | A | -1.1577 | |
| 141 | F | A | 0.0000 | |
| 142 | Y | A | 0.0000 | |
| 143 | P | A | -1.2046 | |
| 144 | R | A | -2.0904 | |
| 145 | E | A | -1.8088 | |
| 146 | A | A | -1.6113 | |
| 147 | K | A | -2.0778 | |
| 148 | V | A | -0.9991 | |
| 149 | Q | A | -0.4187 | |
| 150 | W | A | 0.0000 | |
| 151 | K | A | -0.4393 | |
| 152 | V | A | 0.0000 | |
| 153 | D | A | -2.0364 | |
| 154 | N | A | -1.5428 | |
| 155 | A | A | -0.2086 | |
| 156 | L | A | 0.8318 | |
| 157 | Q | A | -0.0156 | |
| 158 | S | A | -0.3740 | |
| 159 | G | A | -0.9018 | |
| 160 | N | A | -0.8340 | |
| 161 | S | A | -1.0430 | |
| 162 | Q | A | -1.2730 | |
| 163 | E | A | -1.6677 | |
| 164 | S | A | -0.9415 | |
| 165 | V | A | -0.8609 | |
| 166 | T | A | 0.0000 | |
| 167 | E | A | -2.2656 | |
| 168 | Q | A | 0.0000 | |
| 169 | D | A | -2.2512 | |
| 170 | S | A | -2.2689 | |
| 171 | K | A | -2.7107 | |
| 172 | D | A | -2.1552 | |
| 173 | S | A | 0.0000 | |
| 174 | T | A | 0.0000 | |
| 175 | Y | A | 0.0000 | |
| 176 | S | A | 0.0000 | |
| 177 | L | A | 0.0000 | |
| 178 | S | A | 0.0000 | |
| 179 | S | A | 0.0000 | |
| 180 | T | A | -0.6023 | |
| 181 | L | A | 0.0000 | |
| 182 | T | A | -0.3065 | |
| 183 | L | A | -0.6804 | |
| 184 | S | A | -1.0754 | |
| 185 | K | A | -2.0231 | |
| 186 | A | A | -1.9858 | |
| 187 | D | A | -2.8287 | |
| 188 | Y | A | 0.0000 | |
| 189 | E | A | -3.6746 | |
| 190 | K | A | -3.7948 | |
| 191 | H | A | -3.4676 | |
| 192 | K | A | -3.4562 | |
| 193 | V | A | -1.8868 | |
| 194 | Y | A | 0.0000 | |
| 195 | A | A | 0.0000 | |
| 196 | C | A | 0.0000 | |
| 197 | E | A | -0.8871 | |
| 198 | V | A | 0.0000 | |
| 199 | T | A | -1.0762 | |
| 200 | H | A | 0.0000 | |
| 201 | Q | A | -1.4751 | |
| 202 | G | A | -0.4317 | |
| 203 | L | A | -0.2192 | |
| 204 | S | A | -0.4273 | |
| 205 | S | A | -0.4512 | |
| 206 | P | A | -0.6107 | |
| 207 | V | A | -0.1023 | |
| 208 | T | A | -0.4778 | |
| 209 | K | A | -0.6533 | |
| 210 | S | A | -0.6933 | |
| 211 | F | A | -1.0047 | |
| 212 | N | A | -2.2432 | |
| 213 | R | A | -2.5217 | |
| 214 | G | A | -1.5097 | |
| 221 | V | B | 0.8038 | |
| 222 | Q | B | -0.3365 | |
| 223 | L | B | 0.0000 | |
| 224 | V | B | 0.0637 | |
| 225 | E | B | 0.0000 | |
| 226 | S | B | -0.5825 | |
| 227 | G | B | -0.8464 | |
| 228 | G | B | -0.4658 | |
| 229 | G | B | -0.2540 | |
| 230 | L | B | -0.0091 | |
| 231 | V | B | -0.6425 | |
| 232 | Q | B | -1.6189 | |
| 233 | P | B | -1.8349 | |
| 234 | G | B | -1.5480 | |
| 235 | G | B | -1.1243 | |
| 236 | S | B | -1.2098 | |
| 237 | L | B | -1.0065 | |
| 238 | R | B | -1.8732 | |
| 239 | L | B | 0.0000 | |
| 240 | S | B | -0.4493 | |
| 241 | C | B | 0.0000 | |
| 242 | A | B | -0.4780 | |
| 243 | A | B | -0.6244 | |
| 244 | S | B | -0.5724 | |
| 245 | G | B | -0.2850 | |
| 246 | F | B | -0.2630 | |
| 247 | N | B | -0.6319 | |
| 248 | F | B | 0.0000 | |
| 249 | Y | B | 0.9524 | |
| 250 | S | B | 0.7349 | |
| 251 | S | B | 0.0000 | |
| 252 | Y | B | 0.0000 | |
| 253 | I | B | 0.0000 | |
| 254 | H | B | 0.0000 | |
| 255 | W | B | 0.0000 | |
| 256 | V | B | 0.0000 | |
| 257 | R | B | 0.0000 | |
| 258 | Q | B | -0.8720 | |
| 259 | A | B | -1.1987 | |
| 260 | P | B | -1.0214 | |
| 261 | G | B | -1.5005 | |
| 262 | K | B | -2.3324 | |
| 263 | G | B | -1.5198 | |
| 264 | L | B | 0.0000 | |
| 265 | E | B | -1.1084 | |
| 266 | W | B | 0.0000 | |
| 267 | V | B | 0.0000 | |
| 268 | A | B | 0.0000 | |
| 269 | S | B | 0.0000 | |
| 270 | I | B | 0.0000 | |
| 271 | S | B | 0.0000 | |
| 272 | P | B | 0.2125 | |
| 273 | Y | B | 0.7483 | |
| 274 | S | B | -0.0078 | |
| 275 | G | B | -0.4214 | |
| 276 | S | B | -0.3547 | |
| 277 | T | B | -0.2272 | |
| 278 | S | B | -0.3368 | |
| 279 | Y | B | -0.9706 | |
| 280 | A | B | 0.0000 | |
| 281 | D | B | -2.5004 | |
| 282 | S | B | -1.7194 | |
| 283 | V | B | 0.0000 | |
| 284 | K | B | -2.6261 | |
| 285 | G | B | -1.7879 | |
| 286 | R | B | -1.5429 | |
| 287 | F | B | 0.0000 | |
| 288 | T | B | -0.8101 | |
| 289 | I | B | 0.0000 | |
| 290 | S | B | -0.3283 | |
| 291 | A | B | -0.5953 | |
| 292 | D | B | -1.2428 | |
| 293 | T | B | -1.0242 | |
| 294 | S | B | -1.2920 | |
| 295 | K | B | -2.3617 | |
| 296 | N | B | -1.7572 | |
| 297 | T | B | -0.9352 | |
| 298 | A | B | 0.0000 | |
| 299 | Y | B | -0.4776 | |
| 300 | L | B | 0.0000 | |
| 301 | Q | B | -1.0580 | |
| 302 | M | B | 0.0000 | |
| 303 | N | B | -1.4123 | |
| 304 | S | B | -1.4014 | |
| 305 | L | B | 0.0000 | |
| 306 | R | B | -2.8842 | |
| 307 | A | B | -1.9936 | |
| 308 | E | B | -2.4431 | |
| 309 | D | B | 0.0000 | |
| 310 | T | B | -0.8021 | |
| 311 | A | B | 0.0000 | |
| 312 | V | B | 0.2138 | |
| 313 | Y | B | 0.0000 | |
| 314 | Y | B | 0.0000 | |
| 315 | C | B | 0.0000 | |
| 316 | A | B | 0.0000 | |
| 317 | R | B | 0.0252 | |
| 318 | Y | B | 0.0000 | |
| 319 | S | B | 0.4191 | |
| 320 | W | B | 1.1074 | |
| 321 | P | B | 0.6145 | |
| 322 | W | B | 0.0000 | |
| 323 | V | B | 0.9411 | |
| 324 | S | B | 0.2946 | |
| 325 | Y | B | 1.1189 | |
| 326 | K | B | -0.2902 | |
| 327 | P | B | 0.6794 | |
| 328 | Y | B | 1.8428 | |
| 329 | Y | B | 1.4869 | |
| 330 | G | B | 0.7664 | |
| 331 | L | B | 0.6785 | |
| 332 | H | B | -0.4436 | |
| 333 | F | B | 0.0000 | |
| 334 | S | B | 0.0907 | |
| 335 | A | B | 0.0000 | |
| 336 | M | B | 0.0000 | |
| 337 | D | B | -0.2342 | |
| 338 | Y | B | -0.0947 | |
| 339 | W | B | -0.4656 | |
| 340 | G | B | 0.0000 | |
| 341 | Q | B | -1.5278 | |
| 342 | G | B | -0.7151 | |
| 343 | T | B | -0.1295 | |
| 344 | L | B | 0.0850 | |
| 345 | V | B | 0.0000 | |
| 346 | T | B | -0.4649 | |
| 347 | V | B | 0.0000 | |
| 348 | S | B | -0.8146 | |
| 349 | S | B | -0.6850 | |
| 350 | A | B | -0.4594 | |
| 351 | S | B | -0.6107 | |
| 352 | T | B | -0.7604 | |
| 353 | K | B | -1.3813 | |
| 354 | G | B | -1.5579 | |
| 355 | P | B | -0.7263 | |
| 356 | S | B | -0.3900 | |
| 357 | V | B | 0.0000 | |
| 358 | F | B | 0.0000 | |
| 359 | P | B | -1.1059 | |
| 360 | L | B | 0.0000 | |
| 361 | A | B | -1.1812 | |
| 362 | P | B | 0.0000 | |
| 363 | S | B | -1.2183 | |
| 364 | S | B | -1.4492 | |
| 365 | K | B | -1.9282 | |
| 366 | S | B | -1.2644 | |
| 367 | T | B | -1.1055 | |
| 368 | S | B | -0.8910 | |
| 369 | G | B | -0.9608 | |
| 370 | G | B | -0.8905 | |
| 371 | T | B | -0.5944 | |
| 372 | A | B | 0.0000 | |
| 373 | A | B | 0.0000 | |
| 374 | L | B | 0.0000 | |
| 375 | G | B | 0.0000 | |
| 376 | C | B | 0.0000 | |
| 377 | L | B | 0.0000 | |
| 378 | V | B | 0.0000 | |
| 379 | K | B | 0.0000 | |
| 380 | D | B | -0.6498 | |
| 381 | Y | B | 0.0000 | |
| 382 | F | B | 0.0000 | |
| 383 | P | B | 0.0000 | |
| 384 | E | B | -0.4940 | |
| 385 | P | B | -0.7124 | |
| 386 | V | B | -0.6189 | |
| 387 | T | B | -0.4494 | |
| 388 | V | B | -0.2372 | |
| 389 | S | B | -0.3389 | |
| 390 | W | B | 0.0000 | |
| 391 | N | B | -0.8285 | |
| 392 | S | B | -0.6741 | |
| 393 | G | B | -0.4680 | |
| 394 | A | B | -0.2455 | |
| 395 | L | B | -0.0125 | |
| 396 | T | B | -0.1613 | |
| 397 | S | B | -0.1895 | |
| 398 | G | B | -0.2685 | |
| 399 | V | B | 0.1817 | |
| 400 | H | B | -0.3765 | |
| 401 | T | B | -0.1989 | |
| 402 | F | B | 0.0000 | |
| 403 | P | B | -0.4019 | |
| 404 | A | B | 0.2602 | |
| 405 | V | B | 0.6407 | |
| 406 | L | B | 1.2139 | |
| 407 | Q | B | 0.2760 | |
| 408 | S | B | -0.1180 | |
| 409 | S | B | -0.2721 | |
| 410 | G | B | -0.0597 | |
| 411 | L | B | 0.0077 | |
| 412 | Y | B | 0.3931 | |
| 413 | S | B | 0.0000 | |
| 414 | L | B | 0.0000 | |
| 415 | S | B | 0.0000 | |
| 416 | S | B | 0.0000 | |
| 417 | V | B | 0.0000 | |
| 418 | V | B | 0.0000 | |
| 419 | T | B | -0.1430 | |
| 420 | V | B | 0.0000 | |
| 421 | P | B | -0.5807 | |
| 422 | S | B | -0.8830 | |
| 423 | S | B | -0.7887 | |
| 424 | S | B | -0.7007 | |
| 425 | L | B | -0.8971 | |
| 426 | G | B | -1.1132 | |
| 427 | T | B | -0.8663 | |
| 428 | Q | B | -1.5841 | |
| 429 | T | B | -1.3136 | |
| 430 | Y | B | 0.0000 | |
| 431 | I | B | -1.1838 | |
| 432 | C | B | 0.0000 | |
| 433 | N | B | 0.0000 | |
| 434 | V | B | 0.0000 | |
| 435 | N | B | -1.7220 | |
| 436 | H | B | 0.0000 | |
| 437 | K | B | -2.7598 | |
| 438 | P | B | -1.6759 | |
| 439 | S | B | -1.8956 | |
| 440 | N | B | -2.4845 | |
| 441 | T | B | -2.0785 | |
| 442 | K | B | -2.6298 | |
| 443 | V | B | -1.5476 | |
| 444 | D | B | -2.5084 | |
| 445 | K | B | -2.2013 | |
| 446 | K | B | -2.3709 | |
| 447 | V | B | 0.0000 | |
| 448 | E | B | -2.9768 | |
| 449 | P | B | -2.0790 | |
| 450 | K | B | -2.4512 | |
| 451 | S | B | -1.3743 | |
| 0 | S | C | -1.4188 | |
| 1 | D | C | -2.3574 | |
| 2 | I | C | 0.0000 | |
| 3 | Q | C | -2.1102 | |
| 4 | M | C | 0.0000 | |
| 5 | T | C | -1.2127 | |
| 6 | Q | C | 0.0000 | |
| 7 | S | C | -0.6408 | |
| 8 | P | C | -0.6452 | |
| 9 | S | C | -0.9599 | |
| 10 | S | C | -0.8751 | |
| 11 | L | C | -0.4871 | |
| 12 | S | C | -0.8076 | |
| 13 | A | C | 0.0000 | |
| 14 | S | C | -0.5006 | |
| 15 | V | C | 0.4765 | |
| 16 | G | C | -0.6377 | |
| 17 | D | C | -1.5053 | |
| 18 | R | C | -2.2173 | |
| 19 | V | C | 0.0000 | |
| 20 | T | C | -0.6223 | |
| 21 | I | C | 0.0000 | |
| 22 | T | C | -0.6946 | |
| 23 | C | C | 0.0000 | |
| 24 | R | C | -2.3227 | |
| 25 | A | C | 0.0000 | |
| 26 | S | C | -1.8704 | |
| 27 | Q | C | -1.9850 | |
| 28 | S | C | -1.0182 | |
| 29 | V | C | 0.0000 | |
| 30 | S | C | -0.2999 | |
| 31 | S | C | -0.2660 | |
| 32 | A | C | 0.0000 | |
| 33 | V | C | 0.0000 | |
| 34 | A | C | 0.0000 | |
| 35 | W | C | 0.0000 | |
| 36 | Y | C | 0.0000 | |
| 37 | Q | C | -0.9993 | |
| 38 | Q | C | 0.0000 | |
| 39 | K | C | -1.5481 | |
| 40 | P | C | -1.2985 | |
| 41 | G | C | -1.2460 | |
| 42 | K | C | -1.7288 | |
| 43 | A | C | 0.0000 | |
| 44 | P | C | 0.0000 | |
| 45 | K | C | -1.5906 | |
| 46 | L | C | 0.0000 | |
| 47 | L | C | 0.0000 | |
| 48 | I | C | 0.0000 | |
| 49 | Y | C | 0.3441 | |
| 50 | S | C | 0.0000 | |
| 51 | A | C | 0.0000 | |
| 52 | S | C | -0.3132 | |
| 53 | S | C | 0.2250 | |
| 54 | L | C | 0.5657 | |
| 55 | Y | C | 0.1946 | |
| 56 | S | C | -0.1696 | |
| 57 | G | C | -0.3576 | |
| 58 | V | C | -0.1703 | |
| 59 | P | C | -0.2283 | |
| 60 | S | C | -0.3158 | |
| 61 | R | C | -0.6754 | |
| 62 | F | C | 0.0000 | |
| 63 | S | C | -0.2257 | |
| 64 | G | C | -0.3967 | |
| 65 | S | C | -1.0017 | |
| 66 | R | C | -1.6755 | |
| 67 | S | C | -1.2962 | |
| 68 | G | C | -1.3594 | |
| 69 | T | C | -1.5253 | |
| 70 | D | C | -1.6543 | |
| 71 | F | C | 0.0000 | |
| 72 | T | C | -0.7725 | |
| 73 | L | C | 0.0000 | |
| 74 | T | C | -0.6311 | |
| 75 | I | C | 0.0000 | |
| 76 | S | C | -1.3025 | |
| 77 | S | C | -1.0998 | |
| 78 | L | C | 0.0000 | |
| 79 | Q | C | -0.7728 | |
| 80 | P | C | -0.7327 | |
| 81 | E | C | -1.5444 | |
| 82 | D | C | 0.0000 | |
| 83 | F | C | -0.4720 | |
| 84 | A | C | 0.0000 | |
| 85 | T | C | -1.0822 | |
| 86 | Y | C | 0.0000 | |
| 87 | Y | C | 0.0000 | |
| 88 | C | C | 0.0000 | |
| 89 | Q | C | 0.0000 | |
| 90 | Q | C | 0.0000 | |
| 91 | S | C | 0.0000 | |
| 92 | V | C | 0.8221 | |
| 93 | S | C | 0.7687 | |
| 94 | Y | C | 1.4849 | |
| 95 | M | C | 0.7268 | |
| 96 | G | C | 0.4681 | |
| 97 | P | C | -0.3081 | |
| 98 | L | C | 0.0000 | |
| 99 | T | C | -0.6103 | |
| 100 | F | C | -0.4395 | |
| 101 | G | C | 0.0000 | |
| 102 | Q | C | -1.7418 | |
| 103 | G | C | 0.0000 | |
| 104 | T | C | 0.0000 | |
| 105 | K | C | -1.9597 | |
| 106 | V | C | 0.0000 | |
| 107 | E | C | -1.0874 | |
| 108 | I | C | -0.4150 | |
| 109 | K | C | -1.4618 | |
| 110 | R | C | -1.2925 | |
| 111 | T | C | -0.2891 | |
| 112 | V | C | 0.1353 | |
| 113 | A | C | -0.1059 | |
| 114 | A | C | -0.1304 | |
| 115 | P | C | 0.0000 | |
| 116 | S | C | -0.1118 | |
| 117 | V | C | 0.0000 | |
| 118 | F | C | 0.1025 | |
| 119 | I | C | 0.0704 | |
| 120 | F | C | 0.0000 | |
| 121 | P | C | -0.6656 | |
| 122 | P | C | -0.6547 | |
| 123 | S | C | -1.3950 | |
| 124 | D | C | -2.4409 | |
| 125 | S | C | -1.5726 | |
| 126 | Q | C | 0.0000 | |
| 127 | L | C | -1.8097 | |
| 128 | K | C | -2.3593 | |
| 129 | S | C | -1.4469 | |
| 130 | G | C | -1.0630 | |
| 131 | T | C | -0.8488 | |
| 132 | A | C | 0.0000 | |
| 133 | S | C | 0.0000 | |
| 134 | V | C | 0.0000 | |
| 135 | V | C | 0.0000 | |
| 136 | C | C | 0.0000 | |
| 137 | L | C | 0.0000 | |
| 138 | L | C | 0.0000 | |
| 139 | N | C | 0.0000 | |
| 140 | N | C | -0.8493 | |
| 141 | F | C | 0.0000 | |
| 142 | Y | C | 0.0000 | |
| 143 | P | C | -1.8895 | |
| 144 | R | C | -3.1813 | |
| 145 | E | C | -3.2782 | |
| 146 | A | C | -2.4196 | |
| 147 | K | C | -2.5617 | |
| 148 | V | C | 0.0000 | |
| 149 | Q | C | -0.7631 | |
| 150 | W | C | 0.0000 | |
| 151 | K | C | -0.5657 | |
| 152 | V | C | 0.0000 | |
| 153 | D | C | -2.0756 | |
| 154 | N | C | -1.5465 | |
| 155 | A | C | -0.2599 | |
| 156 | L | C | 0.7283 | |
| 157 | Q | C | -0.2856 | |
| 158 | S | C | -0.6338 | |
| 159 | G | C | -1.2175 | |
| 160 | N | C | -1.4586 | |
| 161 | S | C | -1.4085 | |
| 162 | Q | C | -1.3869 | |
| 163 | E | C | -1.6746 | |
| 164 | S | C | -0.7091 | |
| 165 | V | C | -0.8562 | |
| 166 | T | C | -1.2595 | |
| 167 | E | C | -2.3687 | |
| 168 | Q | C | -2.0177 | |
| 169 | D | C | -2.0493 | |
| 170 | S | C | -1.8181 | |
| 171 | K | C | -2.3224 | |
| 172 | D | C | -1.8031 | |
| 173 | S | C | -1.8223 | |
| 174 | T | C | 0.0000 | |
| 175 | Y | C | 0.0000 | |
| 176 | S | C | 0.0000 | |
| 177 | L | C | 0.0000 | |
| 178 | S | C | 0.0000 | |
| 179 | S | C | 0.0000 | |
| 180 | T | C | -0.6970 | |
| 181 | L | C | 0.0000 | |
| 182 | T | C | -0.6161 | |
| 183 | L | C | -0.7905 | |
| 184 | S | C | -1.0338 | |
| 185 | K | C | -2.0039 | |
| 186 | A | C | -1.9030 | |
| 187 | D | C | -2.6177 | |
| 188 | Y | C | 0.0000 | |
| 189 | E | C | -3.5399 | |
| 190 | K | C | -3.6838 | |
| 191 | H | C | -3.2040 | |
| 192 | K | C | -3.4368 | |
| 193 | V | C | -1.8923 | |
| 194 | Y | C | 0.0000 | |
| 195 | A | C | -0.7156 | |
| 196 | C | C | 0.0000 | |
| 197 | E | C | -0.9193 | |
| 198 | V | C | 0.0000 | |
| 199 | T | C | -1.2837 | |
| 200 | H | C | 0.0000 | |
| 201 | Q | C | -1.7509 | |
| 202 | G | C | -0.4218 | |
| 203 | L | C | -0.2378 | |
| 204 | S | C | -0.4628 | |
| 205 | S | C | -0.4358 | |
| 206 | P | C | -0.5853 | |
| 207 | V | C | -0.1135 | |
| 208 | T | C | -0.5196 | |
| 209 | K | C | -0.6572 | |
| 210 | S | C | -0.7324 | |
| 211 | F | C | -1.0382 | |
| 212 | N | C | -2.2845 | |
| 213 | R | C | -2.6068 | |
| 214 | G | C | -1.4722 | |
| 218 | I | D | 1.9717 | |
| 219 | S | D | 0.3750 | |
| 220 | E | D | -0.3491 | |
| 221 | V | D | 0.0850 | |
| 222 | Q | D | -0.1120 | |
| 223 | L | D | 0.0000 | |
| 224 | V | D | -0.0015 | |
| 225 | E | D | 0.0000 | |
| 226 | S | D | -0.6936 | |
| 227 | G | D | -0.7466 | |
| 228 | G | D | -0.0300 | |
| 229 | G | D | 0.4874 | |
| 230 | L | D | 0.6895 | |
| 231 | V | D | 0.0000 | |
| 232 | Q | D | -1.5470 | |
| 233 | P | D | -1.6537 | |
| 234 | G | D | -1.4184 | |
| 235 | G | D | -1.0574 | |
| 236 | S | D | -1.3195 | |
| 237 | L | D | -1.0432 | |
| 238 | R | D | -2.2374 | |
| 239 | L | D | 0.0000 | |
| 240 | S | D | -0.6295 | |
| 241 | C | D | 0.0000 | |
| 242 | A | D | -0.5337 | |
| 243 | A | D | 0.0000 | |
| 244 | S | D | -0.5621 | |
| 245 | G | D | -0.3563 | |
| 246 | F | D | -0.4767 | |
| 247 | N | D | -0.7076 | |
| 248 | F | D | 0.0000 | |
| 249 | Y | D | 0.9590 | |
| 250 | S | D | 0.7213 | |
| 251 | S | D | 0.0000 | |
| 252 | Y | D | 0.0000 | |
| 253 | I | D | 0.0000 | |
| 254 | H | D | 0.0000 | |
| 255 | W | D | 0.0000 | |
| 256 | V | D | 0.0000 | |
| 257 | R | D | 0.0000 | |
| 258 | Q | D | -0.6822 | |
| 259 | A | D | -1.0691 | |
| 260 | P | D | -1.1702 | |
| 261 | G | D | -1.5012 | |
| 262 | K | D | -2.3637 | |
| 263 | G | D | -1.6010 | |
| 264 | L | D | 0.0000 | |
| 265 | E | D | -1.0528 | |
| 266 | W | D | 0.0000 | |
| 267 | V | D | 0.0000 | |
| 268 | A | D | 0.0000 | |
| 269 | S | D | 0.0000 | |
| 270 | I | D | 0.0000 | |
| 271 | S | D | 0.0000 | |
| 272 | P | D | 0.1720 | |
| 273 | Y | D | 0.5842 | |
| 274 | S | D | -0.0832 | |
| 275 | G | D | -0.5202 | |
| 276 | S | D | -0.3607 | |
| 277 | T | D | -0.2249 | |
| 278 | S | D | -0.2819 | |
| 279 | Y | D | -0.9230 | |
| 280 | A | D | -1.4604 | |
| 281 | D | D | -2.4968 | |
| 282 | S | D | -1.7202 | |
| 283 | V | D | 0.0000 | |
| 284 | K | D | -2.6105 | |
| 285 | G | D | -1.7131 | |
| 286 | R | D | -1.4868 | |
| 287 | F | D | 0.0000 | |
| 288 | T | D | -0.9727 | |
| 289 | I | D | 0.0000 | |
| 290 | S | D | -0.4566 | |
| 291 | A | D | -0.6086 | |
| 292 | D | D | -1.2605 | |
| 293 | T | D | -1.0473 | |
| 294 | S | D | -1.3096 | |
| 295 | K | D | -2.3532 | |
| 296 | N | D | -1.7188 | |
| 297 | T | D | 0.0000 | |
| 298 | A | D | 0.0000 | |
| 299 | Y | D | -0.6789 | |
| 300 | L | D | 0.0000 | |
| 301 | Q | D | -1.6530 | |
| 302 | M | D | 0.0000 | |
| 303 | N | D | -1.3876 | |
| 304 | S | D | -1.1734 | |
| 305 | L | D | 0.0000 | |
| 306 | R | D | -2.1380 | |
| 307 | A | D | -1.6398 | |
| 308 | E | D | -2.1989 | |
| 309 | D | D | 0.0000 | |
| 310 | T | D | -0.4189 | |
| 311 | A | D | 0.0000 | |
| 312 | V | D | 0.7947 | |
| 313 | Y | D | 0.0000 | |
| 314 | Y | D | 0.0000 | |
| 315 | C | D | 0.0000 | |
| 316 | A | D | 0.0000 | |
| 317 | R | D | 0.0074 | |
| 318 | Y | D | 0.0000 | |
| 319 | S | D | 0.4163 | |
| 320 | W | D | 1.0995 | |
| 321 | P | D | 0.8464 | |
| 322 | W | D | 0.0000 | |
| 323 | V | D | 1.0894 | |
| 324 | S | D | 0.6814 | |
| 325 | Y | D | 1.3567 | |
| 326 | K | D | 0.4230 | |
| 327 | P | D | 0.6788 | |
| 328 | Y | D | 1.7901 | |
| 329 | Y | D | 1.8038 | |
| 330 | G | D | 1.0560 | |
| 331 | L | D | 1.1520 | |
| 332 | H | D | 0.4216 | |
| 333 | F | D | 0.0000 | |
| 334 | S | D | 0.2576 | |
| 335 | A | D | 0.0000 | |
| 336 | M | D | 0.0000 | |
| 337 | D | D | -0.3330 | |
| 338 | Y | D | 0.1416 | |
| 339 | W | D | -0.1271 | |
| 340 | G | D | 0.0000 | |
| 341 | Q | D | -0.5774 | |
| 342 | G | D | -0.0834 | |
| 343 | T | D | 0.4392 | |
| 344 | L | D | 1.3288 | |
| 345 | V | D | 0.0000 | |
| 346 | T | D | -0.0098 | |
| 347 | V | D | 0.0000 | |
| 348 | S | D | -0.6459 | |
| 349 | S | D | -0.6453 | |
| 350 | A | D | -0.4365 | |
| 351 | S | D | -0.5354 | |
| 352 | T | D | -0.6713 | |
| 353 | K | D | -1.2452 | |
| 354 | G | D | -1.3489 | |
| 355 | P | D | 0.0000 | |
| 356 | S | D | -0.2827 | |
| 357 | V | D | 0.0000 | |
| 358 | F | D | 0.0000 | |
| 359 | P | D | -1.0418 | |
| 360 | L | D | 0.0000 | |
| 361 | A | D | -1.1989 | |
| 362 | P | D | 0.0000 | |
| 363 | S | D | -1.2925 | |
| 364 | S | D | -1.4741 | |
| 365 | K | D | -2.0013 | |
| 366 | S | D | -1.3738 | |
| 367 | T | D | -1.1176 | |
| 368 | S | D | -0.9963 | |
| 369 | G | D | -0.9165 | |
| 370 | G | D | -0.8523 | |
| 371 | T | D | -0.5850 | |
| 372 | A | D | 0.0000 | |
| 373 | A | D | 0.0000 | |
| 374 | L | D | 0.0000 | |
| 375 | G | D | 0.0000 | |
| 376 | C | D | 0.0000 | |
| 377 | L | D | 0.0000 | |
| 378 | V | D | 0.0000 | |
| 379 | K | D | 0.0000 | |
| 380 | D | D | -0.3931 | |
| 381 | Y | D | 0.0000 | |
| 382 | F | D | 0.0000 | |
| 383 | P | D | -0.8373 | |
| 384 | E | D | -1.2593 | |
| 385 | P | D | -1.0446 | |
| 386 | V | D | -0.7745 | |
| 387 | T | D | -0.5833 | |
| 388 | V | D | -0.2694 | |
| 389 | S | D | -0.2458 | |
| 390 | W | D | 0.0000 | |
| 391 | N | D | -0.6918 | |
| 392 | S | D | -0.7679 | |
| 393 | G | D | -0.2997 | |
| 394 | A | D | -0.1533 | |
| 395 | L | D | 0.1776 | |
| 396 | T | D | -0.0312 | |
| 397 | S | D | -0.1705 | |
| 398 | G | D | -0.1725 | |
| 399 | V | D | 0.1951 | |
| 400 | H | D | -0.2977 | |
| 401 | T | D | 0.0195 | |
| 402 | F | D | 0.0000 | |
| 403 | P | D | -0.2867 | |
| 404 | A | D | 0.1617 | |
| 405 | V | D | 0.6050 | |
| 406 | L | D | 1.2835 | |
| 407 | Q | D | 0.3342 | |
| 408 | S | D | -0.0276 | |
| 409 | S | D | -0.1840 | |
| 410 | G | D | 0.0699 | |
| 411 | L | D | 0.0655 | |
| 412 | Y | D | 0.3636 | |
| 413 | S | D | 0.0000 | |
| 414 | L | D | 0.0000 | |
| 415 | S | D | 0.0000 | |
| 416 | S | D | 0.0000 | |
| 417 | V | D | 0.0000 | |
| 418 | V | D | 0.0000 | |
| 419 | T | D | -0.1108 | |
| 420 | V | D | 0.0000 | |
| 421 | P | D | -0.6114 | |
| 422 | S | D | 0.0000 | |
| 423 | S | D | -0.6832 | |
| 424 | S | D | -0.5291 | |
| 425 | L | D | -0.7274 | |
| 426 | G | D | -0.9383 | |
| 427 | T | D | -0.8315 | |
| 428 | Q | D | -1.1910 | |
| 429 | T | D | -1.2128 | |
| 430 | Y | D | 0.0000 | |
| 431 | I | D | -0.9791 | |
| 432 | C | D | 0.0000 | |
| 433 | N | D | -1.3138 | |
| 434 | V | D | 0.0000 | |
| 435 | N | D | -1.7811 | |
| 436 | H | D | 0.0000 | |
| 437 | K | D | -2.8263 | |
| 438 | P | D | -1.7898 | |
| 439 | S | D | -1.8626 | |
| 440 | N | D | -2.6039 | |
| 441 | T | D | -2.0411 | |
| 442 | K | D | -2.6304 | |
| 443 | V | D | -1.5333 | |
| 444 | D | D | -2.4058 | |
| 445 | K | D | -1.9515 | |
| 446 | K | D | -1.8505 | |
| 447 | V | D | 0.0000 | |
| 448 | E | D | -2.7588 | |
| 449 | P | D | -1.9947 | |
| 450 | K | D | -2.6901 | |
| 451 | S | D | -1.5969 | |
| 452 | C | D | -0.8207 | |
| 453 | D | D | -1.7392 |
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