| Chain sequence(s) |
A: GPQQQQMLALIDDELDAMDEDELQQLSRLIEKKKRARLQRGAASSGTSPSSTSPVYDLQRYTAESLRLAPYPADLKVPTAFPQDHQPRGRILLSHDELMHTDYLLHIRQQFDWLEEPLLRKLVVEKIFAVYNAPNLHTLLAIIDETLSYMKYHHLHGLPVNPHDPYLETVGGMRQLLFNKLNNLDLGCILDHQDGWGDHCSTLKRLVKKPGQMSAWLRDDVCDLQKRPPETFSQPMHRAMAYVCSFSRVAVSLRRRALQVTGTPQFFDQFDTNNAMGTYRCGAVSDLILGALQCHECQNEMCELRIQRALAPYRFMIAYCPFDEQSLLDLTVFAGTTTTTA
C: GPQQQQMLALIDDELDAMDEDELQQLSRLIEKKKRARLQRGAASSGTSPSSTSPVYDLQRYTAESLRLAPYPADLKVPTAFPQDHQPRGRILLSHDELMHTDYLLHIRQQFDWLEEPLLRKLVVEKIFAVYNAPNLHTLLAIIDETLSYMKYHHLHGLPVNPHDPYLETVGGMRQLLFNKLNNLDLGCILDHQDGWGDHCSTLKRLVKKPGQMSAWLRDDVCDLQKRPPETFSQPMHRAMAYVCSFSRVAVSLRRRALQVTGTPQFFDQFDTNNAMGTYRCGAVSDLILGALQCHECQNEMCELRIQRALAPYRFMIAYCPFDEQSLLDLTVFAGTTTTTA B: GPQQQQMLALIDDELDAMDEDELQQLSRLIEKKKRARLQRGAASSGTSPSSTSPVYDLQRYTAESLRLAPYPADLKVPTAFPQDHQPRGRILLSHDELMHTDYLLHIRQQFDWLEEPLLRKLVVEKIFAVYNAPNLHTLLAIIDETLSYMKYHHLHGLPVNPHDPYLETVGGMRQLLFNKLNNLDLGCILDHQDGWGDHCSTLKRLVKKPGQMSAWLRDDVCDLQKRPPETFSQPMHRAMAYVCSFSRVAVSLRRRALQVTGTPQFFDQFDTNNAMGTYRCGAVSDLILGALQCHECQNEMCELRIQRALAPYRFMIAYCPFDEQSLLDLTVFAGTTTTTA D: GPQQQQMLALIDDELDAMDEDELQQLSRLIEKKKRARLQRGAASSGTSPSSTSPVYDLQRYTAESLRLAPYPADLKVPTAFPQDHQPRGRILLSHDELMHTDYLLHIRQQFDWLEEPLLRKLVVEKIFAVYNAPNLHTLLAIIDETLSYMKYHHLHGLPVNPHDPYLETVGGMRQLLFNKLNNLDLGCILDHQDGWGDHCSTLKRLVKKPGQMSAWLRDDVCDLQKRPPETFSQPMHRAMAYVCSFSRVAVSLRRRALQVTGTPQFFDQFDTNNAMGTYRCGAVSDLILGALQCHECQNEMCELRIQRALAPYRFMIAYCPFDEQSLLDLTVFAGTTTTTA input PDB |
| Selected Chain(s) | A,B,C,D |
| Distance of aggregation | 10 Å |
| FoldX usage | Yes |
| pH calculations | Yes |
| alphaCutter usage |
A: GPQQQQMLALIDDELDAMDEDELQQLSRLIEKKKRARLQRGAASSGTSPSSTSPVYDLQRYTAESLRLAPYPADLKVPTAFPQDHQPRGRILLSHDELMHTDYLLHIRQQFDWLEEPLLRKLVVEKIFAVYNAPNLHTLLAIIDETLSYMKYHHLHGLPVNPHDPYLETVGGMRQLLFNKLNNLDLGCILDHQDGWGDHCSTLKRLVKKPGQMSAWLRDDVCDLQKRPPETFS QPMHRAMAYVCSFSRVAVSLRRRAL QVTGTPQFFDQFDTNNAMGTYRCGAVSDLILGALQCHECQNEMCELRIQRALAPYRFMIAYCPFDEQSLLDLTVFAGTTTTTAC: GPQQQQMLALIDDELDAMDEDELQQLSRLIEKKKRARLQRGAASSGTSPSSTSPVYDLQRYTAESLRLAPYPADLKVPTAFPQDHQPRGRILLSHDELMHTDYLLHIRQQFDWLEEPLLRKLVVEKIFAVYNAPNLHTLLAIIDETLSYMKYHHLHGLPVNPHDPYLETVGGMRQLLFNKLNNLDLGCILDHQDGWGDHCSTLKRLVKKPGQMSAWLRDDVCDLQKRPPETFS QPMHRAMAYVCSFSRVAVSLRRRAL QVTGTPQFFDQFDTNNAMGTYRCGAVSDLILGALQCHECQNEMCELRIQRALAPYRFMIAYCPFDEQSLLDLTVFAGTTTTTAB: GPQQQQMLALIDDELDAMDEDELQQLSRLIEKKKRARLQRGAASSGTSPSSTSPVYDLQRYTAESLRLAPYPADLKVPTAFPQDHQPRGRILLSHDELMHTDYLLHIRQQFDWLEEPLLRKLVVEKIFAVYNAPNLHTLLAIIDETLSYMKYHHLHGLPVNPHDPYLETVGGMRQLLFNKLNNLDLGCILDHQDGWGDHCSTLKRLVKKPGQMSAWLRDDVCDLQKRPPETFS QPMHRAMAYVCSFSRVAVSLRRRAL QVTGTPQFFDQFDTNNAMGTYRCGAVSDLILGALQCHECQNEMCELRIQRALAPYRFMIAYCPFDEQSLLDLTVFAGTTTTTAD: GPQQQQMLALIDDELDAMDEDELQQLSRLIEKKKRARLQRGAASSGTSPSSTSPVYDLQRYTAESLRLAPYPADLKVPTAFPQDHQPRGRILLSHDELMHTDYLLHIRQQFDWLEEPLLRKLVVEKIFAVYNAPNLHTLLAIIDETLSYMKYHHLHGLPVNPHDPYLETVGGMRQLLFNKLNNLDLGCILDHQDGWGDHCSTLKRLVKKPGQMSAWLRDDVCDLQKRPPETFS QPMHRAMAYVCSFSRVAVSLRRRAL QVTGTPQFFDQFDTNNAMGTYRCGAVSDLILGALQCHECQNEMCELRIQRALAPYRFMIAYCPFDEQSLLDLTVFAGTTTTTA(Red indicates removed residues) |
| Dynamic mode | No |
| Automated mutations | No |
| Downloads | Download all the data |
| Simulation log |
[INFO] Logger: Verbosity set to: 2 - [INFO] (00:00:00)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:00)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with all chain(s) selected (00:00:00)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:00)
[INFO] PDB: Running AlphaCutter (00:00:01)
[INFO] PDB-Info: The input structure is partially or entirely disordered. Average score is
recommended for pH analysis. (00:00:45)
[INFO] FoldX: Starting FoldX energy minimization (00:00:45)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:23:17)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/e461747b20a1904/tmp/folded.pdb (00:23:17)
[INFO] Main: Simulation completed successfully. (00:29:58)
|
The table below lists A4D score for protein residues. Residues with A4D score > 0.0000 are marked by yellow rows.
| residue index | residue name | chain | Aggrescan4D score | mutation |
|---|---|---|---|---|
| 200 | G | A | -1.5868 | |
| 201 | P | A | -1.8671 | |
| 202 | Q | A | -2.4022 | |
| 203 | Q | A | -2.0912 | |
| 204 | Q | A | -2.1874 | |
| 205 | Q | A | -1.8192 | |
| 206 | M | A | -1.0380 | |
| 207 | L | A | -0.8475 | |
| 208 | A | A | -0.7275 | |
| 209 | L | A | 0.2248 | |
| 210 | I | A | 0.0000 | |
| 211 | D | A | -1.4983 | |
| 212 | D | A | -2.3897 | |
| 213 | E | A | -1.9393 | |
| 214 | L | A | 0.0000 | |
| 215 | D | A | -3.0590 | |
| 216 | A | A | -1.8760 | |
| 217 | M | A | 0.0000 | |
| 218 | D | A | -2.5308 | |
| 219 | E | A | -2.5678 | |
| 220 | D | A | -3.0030 | |
| 221 | E | A | 0.0000 | |
| 222 | L | A | 0.0000 | |
| 223 | Q | A | 0.0000 | |
| 224 | Q | A | -1.2571 | |
| 225 | L | A | 0.0000 | |
| 226 | S | A | -1.5760 | |
| 227 | R | A | -1.6359 | |
| 228 | L | A | -1.5548 | |
| 229 | I | A | 0.0000 | |
| 230 | E | A | -3.0609 | |
| 231 | K | A | -3.2328 | |
| 232 | K | A | 0.0000 | |
| 233 | K | A | -2.9934 | |
| 234 | R | A | -3.3140 | |
| 235 | A | A | -2.4622 | |
| 236 | R | A | -2.5763 | |
| 237 | L | A | -1.3118 | |
| 238 | Q | A | -2.4034 | |
| 239 | R | A | -2.7650 | |
| 240 | G | A | -1.6595 | |
| 241 | A | A | -1.1234 | |
| 242 | A | A | -1.0752 | |
| 243 | S | A | -1.1531 | |
| 244 | S | A | -1.1253 | |
| 245 | G | A | -1.0487 | |
| 246 | T | A | -0.6032 | |
| 247 | S | A | -0.7735 | |
| 248 | P | A | -0.8836 | |
| 249 | S | A | -0.4932 | |
| 250 | S | A | -0.4414 | |
| 251 | T | A | -0.2776 | |
| 252 | S | A | -0.2652 | |
| 253 | P | A | -0.0937 | |
| 254 | V | A | 0.4756 | |
| 255 | Y | A | 0.1874 | |
| 256 | D | A | -0.6300 | |
| 257 | L | A | -0.7416 | |
| 258 | Q | A | -1.3808 | |
| 259 | R | A | -2.0205 | |
| 260 | Y | A | -1.2464 | |
| 261 | T | A | -1.4172 | |
| 262 | A | A | -1.6625 | |
| 263 | E | A | -2.4967 | |
| 264 | S | A | -1.8152 | |
| 265 | L | A | -1.6094 | |
| 266 | R | A | -2.5788 | |
| 267 | L | A | 0.0000 | |
| 268 | A | A | -0.8894 | |
| 269 | P | A | -0.5791 | |
| 270 | Y | A | 0.0855 | |
| 271 | P | A | -0.0750 | |
| 272 | A | A | -0.0754 | |
| 273 | D | A | -0.5914 | |
| 274 | L | A | 0.0000 | |
| 275 | K | A | 0.0000 | |
| 276 | V | A | 0.5572 | |
| 277 | P | A | 0.0000 | |
| 278 | T | A | 0.0000 | |
| 279 | A | A | 0.0000 | |
| 280 | F | A | 0.3281 | |
| 281 | P | A | 0.0000 | |
| 282 | Q | A | -0.5300 | |
| 283 | D | A | 0.0000 | |
| 284 | H | A | -0.7377 | |
| 285 | Q | A | -0.5119 | |
| 286 | P | A | -0.3820 | |
| 287 | R | A | 0.0000 | |
| 288 | G | A | 0.0000 | |
| 289 | R | A | -0.3189 | |
| 290 | I | A | 0.0000 | |
| 291 | L | A | 0.0000 | |
| 292 | L | A | 0.0000 | |
| 293 | S | A | -1.4824 | |
| 294 | H | A | -1.9656 | |
| 295 | D | A | -2.5995 | |
| 296 | E | A | -1.3170 | |
| 297 | L | A | 0.0000 | |
| 298 | M | A | 0.0000 | |
| 299 | H | A | -1.5008 | |
| 300 | T | A | 0.0000 | |
| 301 | D | A | 0.0000 | |
| 302 | Y | A | 0.0000 | |
| 303 | L | A | 0.0000 | |
| 304 | L | A | 0.0000 | |
| 305 | H | A | -0.4215 | |
| 306 | I | A | 0.0000 | |
| 307 | R | A | 0.0000 | |
| 308 | Q | A | -0.6348 | |
| 309 | Q | A | -0.2169 | |
| 310 | F | A | 0.0000 | |
| 311 | D | A | -0.8582 | |
| 312 | W | A | -0.1215 | |
| 313 | L | A | -0.6610 | |
| 314 | E | A | -1.6298 | |
| 315 | E | A | -2.4970 | |
| 316 | P | A | -1.7733 | |
| 317 | L | A | -0.8151 | |
| 318 | L | A | 0.0000 | |
| 319 | R | A | -2.0900 | |
| 320 | K | A | -1.5765 | |
| 321 | L | A | 0.0000 | |
| 322 | V | A | 0.0000 | |
| 323 | V | A | 0.0000 | |
| 324 | E | A | 0.0000 | |
| 325 | K | A | 0.0000 | |
| 326 | I | A | 0.1934 | |
| 327 | F | A | 0.0000 | |
| 328 | A | A | 0.0000 | |
| 329 | V | A | 0.0000 | |
| 330 | Y | A | 0.5475 | |
| 331 | N | A | 0.0000 | |
| 332 | A | A | 0.0000 | |
| 333 | P | A | 0.0000 | |
| 334 | N | A | 0.0000 | |
| 335 | L | A | 0.0000 | |
| 336 | H | A | 0.0000 | |
| 337 | T | A | 0.0000 | |
| 338 | L | A | 0.0000 | |
| 339 | L | A | 0.0000 | |
| 340 | A | A | 0.0000 | |
| 341 | I | A | 0.0000 | |
| 342 | I | A | 0.0000 | |
| 343 | D | A | 0.0000 | |
| 344 | E | A | 0.0000 | |
| 345 | T | A | 0.0000 | |
| 346 | L | A | 0.3402 | |
| 347 | S | A | 0.0000 | |
| 348 | Y | A | 0.0000 | |
| 349 | M | A | 0.4758 | |
| 350 | K | A | 0.0000 | |
| 351 | Y | A | 0.0000 | |
| 352 | H | A | 0.0000 | |
| 353 | H | A | -0.2585 | |
| 354 | L | A | 0.6163 | |
| 355 | H | A | 0.0718 | |
| 356 | G | A | -0.1853 | |
| 357 | L | A | 0.0000 | |
| 358 | P | A | 0.0000 | |
| 359 | V | A | 0.0000 | |
| 360 | N | A | 0.0000 | |
| 361 | P | A | -0.4604 | |
| 362 | H | A | -1.0226 | |
| 363 | D | A | 0.0000 | |
| 364 | P | A | 0.0000 | |
| 365 | Y | A | 0.0000 | |
| 366 | L | A | -0.1606 | |
| 367 | E | A | -0.9389 | |
| 368 | T | A | 0.0000 | |
| 369 | V | A | -0.2729 | |
| 370 | G | A | -0.9421 | |
| 371 | G | A | -0.8866 | |
| 372 | M | A | 0.0000 | |
| 373 | R | A | -2.2889 | |
| 374 | Q | A | -2.1646 | |
| 375 | L | A | -0.9446 | |
| 376 | L | A | -0.8642 | |
| 377 | F | A | 0.0000 | |
| 378 | N | A | -1.3241 | |
| 379 | K | A | -0.6019 | |
| 380 | L | A | -0.4918 | |
| 381 | N | A | -0.9777 | |
| 382 | N | A | 0.0000 | |
| 383 | L | A | 0.0000 | |
| 384 | D | A | -1.2354 | |
| 385 | L | A | 0.0000 | |
| 386 | G | A | 0.0000 | |
| 387 | C | A | -1.9239 | |
| 388 | I | A | 0.0000 | |
| 389 | L | A | -0.8892 | |
| 390 | D | A | -1.6976 | |
| 391 | H | A | -2.1873 | |
| 392 | Q | A | -2.5251 | |
| 393 | D | A | -2.6569 | |
| 394 | G | A | -1.2544 | |
| 395 | W | A | -0.5372 | |
| 396 | G | A | -1.4488 | |
| 397 | D | A | -2.0453 | |
| 398 | H | A | -1.7590 | |
| 399 | C | A | 0.0000 | |
| 400 | S | A | -1.0484 | |
| 401 | T | A | -0.9561 | |
| 402 | L | A | -0.7974 | |
| 403 | K | A | -1.4813 | |
| 404 | R | A | -1.4084 | |
| 405 | L | A | -1.2509 | |
| 406 | V | A | -1.4782 | |
| 407 | K | A | -2.5352 | |
| 408 | K | A | -2.7641 | |
| 409 | P | A | -2.1241 | |
| 410 | G | A | -2.0175 | |
| 411 | Q | A | -2.5596 | |
| 412 | M | A | 0.0000 | |
| 413 | S | A | -0.4688 | |
| 414 | A | A | -0.4197 | |
| 415 | W | A | 0.2476 | |
| 416 | L | A | -0.8268 | |
| 417 | R | A | -2.6305 | |
| 418 | D | A | -3.1507 | |
| 419 | D | A | -3.2044 | |
| 420 | V | A | 0.0000 | |
| 421 | C | A | -3.0476 | |
| 422 | D | A | -3.7739 | |
| 423 | L | A | -2.4831 | |
| 424 | Q | A | -2.4754 | |
| 425 | K | A | -3.1686 | |
| 426 | R | A | -2.9396 | |
| 427 | P | A | -2.0658 | |
| 428 | P | A | -1.7630 | |
| 429 | E | A | -2.2656 | |
| 430 | T | A | -1.2361 | |
| 431 | F | A | -0.8668 | |
| 432 | S | A | -0.9372 | |
| 433 | Q | A | -1.2035 | |
| 459 | V | A | 1.5572 | |
| 460 | T | A | 0.6214 | |
| 461 | G | A | 0.0610 | |
| 462 | T | A | 0.3060 | |
| 463 | P | A | 0.2180 | |
| 464 | Q | A | -0.0731 | |
| 465 | F | A | -0.2860 | |
| 466 | F | A | 0.0000 | |
| 467 | D | A | -1.8644 | |
| 468 | Q | A | -1.1284 | |
| 469 | F | A | 0.5286 | |
| 470 | D | A | -0.7473 | |
| 471 | T | A | -1.0256 | |
| 472 | N | A | -1.5419 | |
| 473 | N | A | -2.1186 | |
| 474 | A | A | -1.6270 | |
| 475 | M | A | -0.5826 | |
| 476 | G | A | -0.9975 | |
| 477 | T | A | -1.2387 | |
| 478 | Y | A | -1.0851 | |
| 479 | R | A | -1.9847 | |
| 480 | C | A | 0.0000 | |
| 481 | G | A | 0.0000 | |
| 482 | A | A | -0.3274 | |
| 483 | V | A | 0.3261 | |
| 484 | S | A | 0.0000 | |
| 485 | D | A | -0.6191 | |
| 486 | L | A | 1.0116 | |
| 487 | I | A | 0.7236 | |
| 488 | L | A | 0.0000 | |
| 489 | G | A | 0.1071 | |
| 490 | A | A | -0.0062 | |
| 491 | L | A | 0.0000 | |
| 492 | Q | A | -0.8077 | |
| 493 | C | A | -0.1135 | |
| 494 | H | A | -1.1113 | |
| 495 | E | A | -2.3679 | |
| 496 | C | A | -2.1994 | |
| 497 | Q | A | -2.4909 | |
| 498 | N | A | -2.7808 | |
| 499 | E | A | -3.0330 | |
| 500 | M | A | -2.0775 | |
| 501 | C | A | 0.0000 | |
| 502 | E | A | -2.9982 | |
| 503 | L | A | 0.0000 | |
| 504 | R | A | -1.1747 | |
| 505 | I | A | -0.7387 | |
| 506 | Q | A | -0.7658 | |
| 507 | R | A | 0.0000 | |
| 508 | A | A | 0.0000 | |
| 509 | L | A | 0.0112 | |
| 510 | A | A | 0.0000 | |
| 511 | P | A | 0.0000 | |
| 512 | Y | A | 0.0000 | |
| 513 | R | A | 0.0000 | |
| 514 | F | A | 0.0000 | |
| 515 | M | A | 0.0000 | |
| 516 | I | A | 0.0000 | |
| 517 | A | A | 0.0000 | |
| 518 | Y | A | 0.0000 | |
| 519 | C | A | 0.0000 | |
| 520 | P | A | 0.0000 | |
| 521 | F | A | -1.1228 | |
| 522 | D | A | -2.2325 | |
| 523 | E | A | -2.7406 | |
| 524 | Q | A | -1.7462 | |
| 525 | S | A | 0.0000 | |
| 526 | L | A | -0.4313 | |
| 527 | L | A | 0.0000 | |
| 528 | D | A | 0.0000 | |
| 529 | L | A | 0.0000 | |
| 530 | T | A | -0.0475 | |
| 531 | V | A | 0.0000 | |
| 532 | F | A | 0.0000 | |
| 533 | A | A | 0.0000 | |
| 534 | G | A | -0.2075 | |
| 535 | T | A | -0.1343 | |
| 536 | T | A | 0.0000 | |
| 537 | T | A | -0.0417 | |
| 538 | T | A | 0.0000 | |
| 539 | T | A | 0.0372 | |
| 540 | A | A | -0.0317 | |
| 200 | G | B | -1.5834 | |
| 201 | P | B | -1.8595 | |
| 202 | Q | B | -2.3888 | |
| 203 | Q | B | -2.0748 | |
| 204 | Q | B | -2.1690 | |
| 205 | Q | B | -1.7808 | |
| 206 | M | B | -1.0262 | |
| 207 | L | B | -0.8414 | |
| 208 | A | B | -0.7247 | |
| 209 | L | B | 0.2202 | |
| 210 | I | B | 0.0000 | |
| 211 | D | B | -1.4993 | |
| 212 | D | B | -2.4186 | |
| 213 | E | B | -2.0590 | |
| 214 | L | B | 0.0000 | |
| 215 | D | B | -3.1602 | |
| 216 | A | B | -2.0131 | |
| 217 | M | B | 0.0000 | |
| 218 | D | B | -2.9057 | |
| 219 | E | B | -2.7927 | |
| 220 | D | B | -3.1404 | |
| 221 | E | B | -2.2506 | |
| 222 | L | B | 0.0000 | |
| 223 | Q | B | 0.0000 | |
| 224 | Q | B | -1.3956 | |
| 225 | L | B | 0.0000 | |
| 226 | S | B | -1.6618 | |
| 227 | R | B | -1.7465 | |
| 228 | L | B | -1.5970 | |
| 229 | I | B | 0.0000 | |
| 230 | E | B | -2.9788 | |
| 231 | K | B | -3.1196 | |
| 232 | K | B | 0.0000 | |
| 233 | K | B | -3.0422 | |
| 234 | R | B | -3.2474 | |
| 235 | A | B | -2.4105 | |
| 236 | R | B | -2.5607 | |
| 237 | L | B | -1.4055 | |
| 238 | Q | B | -2.3125 | |
| 239 | R | B | -2.6664 | |
| 240 | G | B | -1.4802 | |
| 241 | A | B | -1.0144 | |
| 242 | A | B | -1.0146 | |
| 243 | S | B | -1.1311 | |
| 244 | S | B | -1.0907 | |
| 245 | G | B | -1.0075 | |
| 246 | T | B | -0.6071 | |
| 247 | S | B | -0.7906 | |
| 248 | P | B | -0.9679 | |
| 249 | S | B | -0.5354 | |
| 250 | S | B | -0.4629 | |
| 251 | T | B | -0.3085 | |
| 252 | S | B | -0.3130 | |
| 253 | P | B | -0.1914 | |
| 254 | V | B | 0.3352 | |
| 255 | Y | B | 0.1064 | |
| 256 | D | B | -0.7627 | |
| 257 | L | B | 0.0000 | |
| 258 | Q | B | -1.4972 | |
| 259 | R | B | -2.1434 | |
| 260 | Y | B | -1.4563 | |
| 261 | T | B | -1.4898 | |
| 262 | A | B | -1.6502 | |
| 263 | E | B | -2.4827 | |
| 264 | S | B | -1.8311 | |
| 265 | L | B | -1.6042 | |
| 266 | R | B | -2.5260 | |
| 267 | L | B | -1.4352 | |
| 268 | A | B | -0.8291 | |
| 269 | P | B | -0.5542 | |
| 270 | Y | B | 0.0756 | |
| 271 | P | B | -0.1068 | |
| 272 | A | B | -0.1109 | |
| 273 | D | B | -0.6316 | |
| 274 | L | B | 0.0000 | |
| 275 | K | B | 0.0000 | |
| 276 | V | B | 0.4010 | |
| 277 | P | B | 0.0000 | |
| 278 | T | B | 0.0000 | |
| 279 | A | B | 0.0000 | |
| 280 | F | B | 0.5482 | |
| 281 | P | B | 0.0000 | |
| 282 | Q | B | -0.2628 | |
| 283 | D | B | 0.0000 | |
| 284 | H | B | -0.6511 | |
| 285 | Q | B | -0.4953 | |
| 286 | P | B | -0.4715 | |
| 287 | R | B | 0.0000 | |
| 288 | G | B | 0.0000 | |
| 289 | R | B | -0.3630 | |
| 290 | I | B | 0.0000 | |
| 291 | L | B | 0.0000 | |
| 292 | L | B | 0.0000 | |
| 293 | S | B | -1.4540 | |
| 294 | H | B | -1.9185 | |
| 295 | D | B | -2.5898 | |
| 296 | E | B | -1.3218 | |
| 297 | L | B | 0.0000 | |
| 298 | M | B | 0.0000 | |
| 299 | H | B | -1.4821 | |
| 300 | T | B | 0.0000 | |
| 301 | D | B | 0.0000 | |
| 302 | Y | B | 0.0000 | |
| 303 | L | B | 0.0000 | |
| 304 | L | B | 0.0000 | |
| 305 | H | B | -0.4494 | |
| 306 | I | B | 0.0000 | |
| 307 | R | B | 0.0000 | |
| 308 | Q | B | -0.5511 | |
| 309 | Q | B | -0.1328 | |
| 310 | F | B | 0.0000 | |
| 311 | D | B | -0.8732 | |
| 312 | W | B | -0.0695 | |
| 313 | L | B | -0.7113 | |
| 314 | E | B | -1.6514 | |
| 315 | E | B | -2.4871 | |
| 316 | P | B | -1.7792 | |
| 317 | L | B | -0.8669 | |
| 318 | L | B | 0.0000 | |
| 319 | R | B | -2.0424 | |
| 320 | K | B | -1.7913 | |
| 321 | L | B | 0.0000 | |
| 322 | V | B | 0.0000 | |
| 323 | V | B | 0.0000 | |
| 324 | E | B | 0.0000 | |
| 325 | K | B | 0.0000 | |
| 326 | I | B | 0.1713 | |
| 327 | F | B | 0.0000 | |
| 328 | A | B | 0.0000 | |
| 329 | V | B | 0.0000 | |
| 330 | Y | B | 0.4953 | |
| 331 | N | B | 0.0000 | |
| 332 | A | B | 0.0000 | |
| 333 | P | B | 0.0000 | |
| 334 | N | B | 0.0000 | |
| 335 | L | B | 0.0000 | |
| 336 | H | B | 0.0000 | |
| 337 | T | B | 0.0000 | |
| 338 | L | B | 0.0000 | |
| 339 | L | B | 0.0000 | |
| 340 | A | B | 0.0000 | |
| 341 | I | B | 0.0000 | |
| 342 | I | B | 0.0000 | |
| 343 | D | B | 0.0000 | |
| 344 | E | B | 0.0000 | |
| 345 | T | B | 0.0000 | |
| 346 | L | B | 0.3596 | |
| 347 | S | B | 0.0000 | |
| 348 | Y | B | 0.0000 | |
| 349 | M | B | 0.5157 | |
| 350 | K | B | 0.0000 | |
| 351 | Y | B | 0.0000 | |
| 352 | H | B | 0.0000 | |
| 353 | H | B | -0.2134 | |
| 354 | L | B | 0.6244 | |
| 355 | H | B | 0.0487 | |
| 356 | G | B | -0.1832 | |
| 357 | L | B | 0.0000 | |
| 358 | P | B | 0.0000 | |
| 359 | V | B | 0.0000 | |
| 360 | N | B | 0.0000 | |
| 361 | P | B | -0.4439 | |
| 362 | H | B | -0.9791 | |
| 363 | D | B | 0.0000 | |
| 364 | P | B | 0.0000 | |
| 365 | Y | B | 0.0000 | |
| 366 | L | B | -0.0823 | |
| 367 | E | B | -0.8399 | |
| 368 | T | B | 0.0000 | |
| 369 | V | B | -0.2199 | |
| 370 | G | B | -0.9152 | |
| 371 | G | B | -0.8807 | |
| 372 | M | B | 0.0000 | |
| 373 | R | B | -2.2683 | |
| 374 | Q | B | -2.1585 | |
| 375 | L | B | -0.9504 | |
| 376 | L | B | -0.9251 | |
| 377 | F | B | 0.0000 | |
| 378 | N | B | -1.4163 | |
| 379 | K | B | -0.6936 | |
| 380 | L | B | 0.0000 | |
| 381 | N | B | -1.1078 | |
| 382 | N | B | 0.0000 | |
| 383 | L | B | 0.0000 | |
| 384 | D | B | -1.2073 | |
| 385 | L | B | 0.0000 | |
| 386 | G | B | 0.0000 | |
| 387 | C | B | -1.7636 | |
| 388 | I | B | -0.8406 | |
| 389 | L | B | -0.8276 | |
| 390 | D | B | -1.6405 | |
| 391 | H | B | -2.0593 | |
| 392 | Q | B | -2.2995 | |
| 393 | D | B | -2.5387 | |
| 394 | G | B | -1.2379 | |
| 395 | W | B | -0.5863 | |
| 396 | G | B | -1.4408 | |
| 397 | D | B | -2.0795 | |
| 398 | H | B | -1.8123 | |
| 399 | C | B | 0.0000 | |
| 400 | S | B | -1.0648 | |
| 401 | T | B | -0.9425 | |
| 402 | L | B | -0.7678 | |
| 403 | K | B | -1.4264 | |
| 404 | R | B | -1.3194 | |
| 405 | L | B | -1.1765 | |
| 406 | V | B | -1.3905 | |
| 407 | K | B | -2.3818 | |
| 408 | K | B | -2.6931 | |
| 409 | P | B | -2.0895 | |
| 410 | G | B | -1.9967 | |
| 411 | Q | B | -2.5265 | |
| 412 | M | B | 0.0000 | |
| 413 | S | B | -0.4696 | |
| 414 | A | B | -0.4005 | |
| 415 | W | B | 0.2621 | |
| 416 | L | B | -0.8010 | |
| 417 | R | B | -2.5042 | |
| 418 | D | B | -3.0900 | |
| 419 | D | B | -3.1597 | |
| 420 | V | B | 0.0000 | |
| 421 | C | B | -2.9781 | |
| 422 | D | B | -3.7424 | |
| 423 | L | B | -2.4436 | |
| 424 | Q | B | -2.4329 | |
| 425 | K | B | -3.1554 | |
| 426 | R | B | -2.9335 | |
| 427 | P | B | -2.0570 | |
| 428 | P | B | -1.7495 | |
| 429 | E | B | -2.2557 | |
| 430 | T | B | -1.2187 | |
| 431 | F | B | -0.8313 | |
| 432 | S | B | -0.9187 | |
| 433 | Q | B | -1.2041 | |
| 459 | V | B | 1.5741 | |
| 460 | T | B | 0.6134 | |
| 461 | G | B | 0.0347 | |
| 462 | T | B | 0.2996 | |
| 463 | P | B | 0.2272 | |
| 464 | Q | B | 0.0628 | |
| 465 | F | B | -0.1429 | |
| 466 | F | B | -0.2225 | |
| 467 | D | B | -1.7587 | |
| 468 | Q | B | -1.0415 | |
| 469 | F | B | 0.6153 | |
| 470 | D | B | -0.6752 | |
| 471 | T | B | -0.9907 | |
| 472 | N | B | -1.5203 | |
| 473 | N | B | -2.1109 | |
| 474 | A | B | -1.6112 | |
| 475 | M | B | -0.5377 | |
| 476 | G | B | -0.9903 | |
| 477 | T | B | -1.2197 | |
| 478 | Y | B | -1.0377 | |
| 479 | R | B | -1.8649 | |
| 480 | C | B | 0.0000 | |
| 481 | G | B | 0.0000 | |
| 482 | A | B | -0.1404 | |
| 483 | V | B | 0.4613 | |
| 484 | S | B | 0.0000 | |
| 485 | D | B | -0.2248 | |
| 486 | L | B | 1.1955 | |
| 487 | I | B | 0.8146 | |
| 488 | L | B | 0.0000 | |
| 489 | G | B | 0.2220 | |
| 490 | A | B | 0.0714 | |
| 491 | L | B | 0.0000 | |
| 492 | Q | B | -0.8482 | |
| 493 | C | B | -0.0942 | |
| 494 | H | B | -1.0754 | |
| 495 | E | B | -2.3330 | |
| 496 | C | B | -2.1446 | |
| 497 | Q | B | -2.4532 | |
| 498 | N | B | -2.7041 | |
| 499 | E | B | -2.9777 | |
| 500 | M | B | -2.0499 | |
| 501 | C | B | 0.0000 | |
| 502 | E | B | -3.0193 | |
| 503 | L | B | 0.0000 | |
| 504 | R | B | -1.2095 | |
| 505 | I | B | -0.7799 | |
| 506 | Q | B | -0.8395 | |
| 507 | R | B | 0.0000 | |
| 508 | A | B | 0.0000 | |
| 509 | L | B | 0.0205 | |
| 510 | A | B | 0.0000 | |
| 511 | P | B | -0.0506 | |
| 512 | Y | B | 0.0000 | |
| 513 | R | B | 0.0000 | |
| 514 | F | B | 0.0000 | |
| 515 | M | B | 0.0000 | |
| 516 | I | B | 0.0000 | |
| 517 | A | B | 0.0000 | |
| 518 | Y | B | 0.0000 | |
| 519 | C | B | 0.0000 | |
| 520 | P | B | 0.0000 | |
| 521 | F | B | -1.2127 | |
| 522 | D | B | -2.3839 | |
| 523 | E | B | -2.7902 | |
| 524 | Q | B | -1.7430 | |
| 525 | S | B | 0.0000 | |
| 526 | L | B | -0.4371 | |
| 527 | L | B | 0.0000 | |
| 528 | D | B | 0.0000 | |
| 529 | L | B | 0.0000 | |
| 530 | T | B | -0.0771 | |
| 531 | V | B | 0.0000 | |
| 532 | F | B | 0.0000 | |
| 533 | A | B | 0.0000 | |
| 534 | G | B | -0.2306 | |
| 535 | T | B | -0.1447 | |
| 536 | T | B | 0.0000 | |
| 537 | T | B | -0.1390 | |
| 538 | T | B | 0.0000 | |
| 539 | T | B | -0.0898 | |
| 540 | A | B | -0.1069 | |
| 200 | G | C | -1.6246 | |
| 201 | P | C | -1.8959 | |
| 202 | Q | C | -2.4463 | |
| 203 | Q | C | -2.1180 | |
| 204 | Q | C | -2.2466 | |
| 205 | Q | C | -1.8348 | |
| 206 | M | C | -1.0893 | |
| 207 | L | C | -0.9462 | |
| 208 | A | C | -0.8056 | |
| 209 | L | C | -0.0515 | |
| 210 | I | C | 0.0000 | |
| 211 | D | C | -1.6398 | |
| 212 | D | C | -2.5300 | |
| 213 | E | C | -2.1730 | |
| 214 | L | C | 0.0000 | |
| 215 | D | C | -3.0346 | |
| 216 | A | C | -1.9913 | |
| 217 | M | C | 0.0000 | |
| 218 | D | C | -2.6831 | |
| 219 | E | C | -2.7893 | |
| 220 | D | C | -3.1355 | |
| 221 | E | C | 0.0000 | |
| 222 | L | C | 0.0000 | |
| 223 | Q | C | -2.0180 | |
| 224 | Q | C | -1.7558 | |
| 225 | L | C | 0.0000 | |
| 226 | S | C | -1.8409 | |
| 227 | R | C | -2.2507 | |
| 228 | L | C | -1.9026 | |
| 229 | I | C | 0.0000 | |
| 230 | E | C | -3.4053 | |
| 231 | K | C | -3.3646 | |
| 232 | K | C | 0.0000 | |
| 233 | K | C | -3.1612 | |
| 234 | R | C | -3.3544 | |
| 235 | A | C | -2.4906 | |
| 236 | R | C | -2.5835 | |
| 237 | L | C | -1.4268 | |
| 238 | Q | C | -2.3864 | |
| 239 | R | C | -2.7637 | |
| 240 | G | C | -1.6639 | |
| 241 | A | C | -1.1759 | |
| 242 | A | C | -1.1039 | |
| 243 | S | C | -1.1854 | |
| 244 | S | C | -1.2224 | |
| 245 | G | C | -1.0812 | |
| 246 | T | C | -0.6516 | |
| 247 | S | C | -0.8278 | |
| 248 | P | C | -1.0003 | |
| 249 | S | C | -0.5391 | |
| 250 | S | C | -0.4633 | |
| 251 | T | C | -0.2460 | |
| 252 | S | C | -0.3290 | |
| 253 | P | C | -0.1478 | |
| 254 | V | C | 0.3999 | |
| 255 | Y | C | 0.0441 | |
| 256 | D | C | -0.7749 | |
| 257 | L | C | 0.0000 | |
| 258 | Q | C | -1.6413 | |
| 259 | R | C | -2.3748 | |
| 260 | Y | C | -1.4630 | |
| 261 | T | C | -1.5335 | |
| 262 | A | C | -1.6854 | |
| 263 | E | C | -2.6698 | |
| 264 | S | C | -1.8324 | |
| 265 | L | C | -1.6298 | |
| 266 | R | C | -2.5627 | |
| 267 | L | C | -1.5107 | |
| 268 | A | C | -0.8859 | |
| 269 | P | C | -0.5861 | |
| 270 | Y | C | 0.0828 | |
| 271 | P | C | -0.0048 | |
| 272 | A | C | 0.0485 | |
| 273 | D | C | 0.0000 | |
| 274 | L | C | 0.0000 | |
| 275 | K | C | 0.0000 | |
| 276 | V | C | 0.5008 | |
| 277 | P | C | 0.0000 | |
| 278 | T | C | 0.0000 | |
| 279 | A | C | 0.0000 | |
| 280 | F | C | 0.3037 | |
| 281 | P | C | 0.0000 | |
| 282 | Q | C | -0.4475 | |
| 283 | D | C | 0.0000 | |
| 284 | H | C | -0.6645 | |
| 285 | Q | C | -0.4691 | |
| 286 | P | C | -0.3677 | |
| 287 | R | C | 0.0000 | |
| 288 | G | C | 0.0000 | |
| 289 | R | C | -0.2405 | |
| 290 | I | C | 0.0000 | |
| 291 | L | C | 0.0000 | |
| 292 | L | C | 0.0000 | |
| 293 | S | C | -1.4444 | |
| 294 | H | C | -1.9326 | |
| 295 | D | C | -2.6569 | |
| 296 | E | C | -1.3905 | |
| 297 | L | C | 0.0000 | |
| 298 | M | C | 0.0000 | |
| 299 | H | C | -1.7231 | |
| 300 | T | C | 0.0000 | |
| 301 | D | C | 0.0000 | |
| 302 | Y | C | 0.0000 | |
| 303 | L | C | 0.0000 | |
| 304 | L | C | 0.0000 | |
| 305 | H | C | -0.5294 | |
| 306 | I | C | 0.0000 | |
| 307 | R | C | 0.0000 | |
| 308 | Q | C | -0.7694 | |
| 309 | Q | C | -0.2758 | |
| 310 | F | C | 0.0000 | |
| 311 | D | C | -0.8867 | |
| 312 | W | C | -0.1955 | |
| 313 | L | C | -0.4905 | |
| 314 | E | C | -1.5262 | |
| 315 | E | C | -2.2737 | |
| 316 | P | C | -1.6421 | |
| 317 | L | C | -0.8840 | |
| 318 | L | C | 0.0000 | |
| 319 | R | C | -2.7153 | |
| 320 | K | C | -1.6923 | |
| 321 | L | C | 0.0000 | |
| 322 | V | C | 0.0000 | |
| 323 | V | C | 0.0000 | |
| 324 | E | C | 0.0000 | |
| 325 | K | C | 0.0000 | |
| 326 | I | C | 0.0684 | |
| 327 | F | C | 0.0000 | |
| 328 | A | C | 0.0000 | |
| 329 | V | C | 0.0000 | |
| 330 | Y | C | 0.5368 | |
| 331 | N | C | 0.0000 | |
| 332 | A | C | 0.0000 | |
| 333 | P | C | 0.0000 | |
| 334 | N | C | 0.0000 | |
| 335 | L | C | 0.0000 | |
| 336 | H | C | 0.0000 | |
| 337 | T | C | 0.0000 | |
| 338 | L | C | 0.0000 | |
| 339 | L | C | 0.0000 | |
| 340 | A | C | 0.0000 | |
| 341 | I | C | 0.0000 | |
| 342 | I | C | 0.0000 | |
| 343 | D | C | 0.0000 | |
| 344 | E | C | 0.0000 | |
| 345 | T | C | 0.0000 | |
| 346 | L | C | 0.3667 | |
| 347 | S | C | 0.0000 | |
| 348 | Y | C | 0.0000 | |
| 349 | M | C | 0.4977 | |
| 350 | K | C | 0.0000 | |
| 351 | Y | C | 0.0000 | |
| 352 | H | C | 0.0000 | |
| 353 | H | C | -0.2597 | |
| 354 | L | C | 0.5143 | |
| 355 | H | C | -0.0076 | |
| 356 | G | C | -0.2129 | |
| 357 | L | C | 0.0000 | |
| 358 | P | C | 0.0000 | |
| 359 | V | C | 0.0000 | |
| 360 | N | C | 0.0000 | |
| 361 | P | C | -0.8582 | |
| 362 | H | C | -1.8663 | |
| 363 | D | C | 0.0000 | |
| 364 | P | C | 0.0000 | |
| 365 | Y | C | 0.0000 | |
| 366 | L | C | -0.6023 | |
| 367 | E | C | -1.8270 | |
| 368 | T | C | 0.0000 | |
| 369 | V | C | -0.3828 | |
| 370 | G | C | -1.0128 | |
| 371 | G | C | -0.8667 | |
| 372 | M | C | 0.0000 | |
| 373 | R | C | -1.8912 | |
| 374 | Q | C | -1.9416 | |
| 375 | L | C | -0.8530 | |
| 376 | L | C | -0.7892 | |
| 377 | F | C | 0.0000 | |
| 378 | N | C | -1.3254 | |
| 379 | K | C | -0.6879 | |
| 380 | L | C | 0.0000 | |
| 381 | N | C | -1.1221 | |
| 382 | N | C | 0.0000 | |
| 383 | L | C | 0.0000 | |
| 384 | D | C | -1.2654 | |
| 385 | L | C | 0.0000 | |
| 386 | G | C | 0.0000 | |
| 387 | C | C | -1.9248 | |
| 388 | I | C | 0.0000 | |
| 389 | L | C | -0.9293 | |
| 390 | D | C | -1.7332 | |
| 391 | H | C | -2.2088 | |
| 392 | Q | C | -2.5593 | |
| 393 | D | C | -2.7037 | |
| 394 | G | C | -1.3534 | |
| 395 | W | C | -0.6903 | |
| 396 | G | C | -1.5228 | |
| 397 | D | C | -2.0594 | |
| 398 | H | C | -1.7650 | |
| 399 | C | C | 0.0000 | |
| 400 | S | C | -1.0101 | |
| 401 | T | C | -0.8923 | |
| 402 | L | C | -0.7030 | |
| 403 | K | C | -1.2731 | |
| 404 | R | C | -1.2475 | |
| 405 | L | C | -1.0895 | |
| 406 | V | C | -1.2648 | |
| 407 | K | C | -2.2651 | |
| 408 | K | C | -2.6781 | |
| 409 | P | C | -2.1055 | |
| 410 | G | C | -2.0145 | |
| 411 | Q | C | -2.5433 | |
| 412 | M | C | 0.0000 | |
| 413 | S | C | -0.5064 | |
| 414 | A | C | -0.4582 | |
| 415 | W | C | 0.2012 | |
| 416 | L | C | -0.8856 | |
| 417 | R | C | -2.6287 | |
| 418 | D | C | -3.1312 | |
| 419 | D | C | -3.1813 | |
| 420 | V | C | 0.0000 | |
| 421 | C | C | -2.8969 | |
| 422 | D | C | -3.7103 | |
| 423 | L | C | -2.4456 | |
| 424 | Q | C | -2.4495 | |
| 425 | K | C | -3.1375 | |
| 426 | R | C | -2.9023 | |
| 427 | P | C | -2.0502 | |
| 428 | P | C | -1.7510 | |
| 429 | E | C | -2.2527 | |
| 430 | T | C | -1.2163 | |
| 431 | F | C | -0.8312 | |
| 432 | S | C | -0.9228 | |
| 433 | Q | C | -1.1989 | |
| 459 | V | C | 1.5659 | |
| 460 | T | C | 0.6236 | |
| 461 | G | C | 0.0492 | |
| 462 | T | C | 0.2964 | |
| 463 | P | C | 0.2117 | |
| 464 | Q | C | -0.0024 | |
| 465 | F | C | -0.2139 | |
| 466 | F | C | -0.2594 | |
| 467 | D | C | -1.7876 | |
| 468 | Q | C | -1.0623 | |
| 469 | F | C | 0.6039 | |
| 470 | D | C | -0.6790 | |
| 471 | T | C | -0.9821 | |
| 472 | N | C | -1.5133 | |
| 473 | N | C | -2.1061 | |
| 474 | A | C | -1.5998 | |
| 475 | M | C | -0.5442 | |
| 476 | G | C | -1.0070 | |
| 477 | T | C | -1.2078 | |
| 478 | Y | C | -1.0079 | |
| 479 | R | C | -1.7810 | |
| 480 | C | C | 0.0000 | |
| 481 | G | C | 0.0000 | |
| 482 | A | C | -0.0027 | |
| 483 | V | C | 0.5574 | |
| 484 | S | C | 0.0000 | |
| 485 | D | C | 0.0728 | |
| 486 | L | C | 1.3303 | |
| 487 | I | C | 0.8988 | |
| 488 | L | C | 0.0000 | |
| 489 | G | C | 0.3032 | |
| 490 | A | C | 0.0854 | |
| 491 | L | C | 0.0000 | |
| 492 | Q | C | -0.8023 | |
| 493 | C | C | -0.1253 | |
| 494 | H | C | -1.0840 | |
| 495 | E | C | -2.3374 | |
| 496 | C | C | -2.1597 | |
| 497 | Q | C | -2.4638 | |
| 498 | N | C | -2.7393 | |
| 499 | E | C | -2.9491 | |
| 500 | M | C | -2.1040 | |
| 501 | C | C | 0.0000 | |
| 502 | E | C | -2.7707 | |
| 503 | L | C | 0.0000 | |
| 504 | R | C | -1.1265 | |
| 505 | I | C | -0.6972 | |
| 506 | Q | C | -0.7391 | |
| 507 | R | C | 0.0000 | |
| 508 | A | C | 0.0000 | |
| 509 | L | C | -0.0122 | |
| 510 | A | C | 0.0000 | |
| 511 | P | C | -0.0619 | |
| 512 | Y | C | 0.0000 | |
| 513 | R | C | 0.0000 | |
| 514 | F | C | 0.0000 | |
| 515 | M | C | 0.0000 | |
| 516 | I | C | 0.0000 | |
| 517 | A | C | 0.0000 | |
| 518 | Y | C | 0.0000 | |
| 519 | C | C | 0.0000 | |
| 520 | P | C | 0.0000 | |
| 521 | F | C | -1.1572 | |
| 522 | D | C | -2.2975 | |
| 523 | E | C | -2.6631 | |
| 524 | Q | C | -1.8788 | |
| 525 | S | C | 0.0000 | |
| 526 | L | C | -0.4733 | |
| 527 | L | C | 0.0000 | |
| 528 | D | C | 0.0000 | |
| 529 | L | C | 0.0000 | |
| 530 | T | C | -0.0769 | |
| 531 | V | C | 0.0000 | |
| 532 | F | C | 0.0000 | |
| 533 | A | C | 0.0000 | |
| 534 | G | C | -0.2151 | |
| 535 | T | C | -0.1415 | |
| 536 | T | C | 0.0000 | |
| 537 | T | C | -0.1167 | |
| 538 | T | C | 0.0000 | |
| 539 | T | C | -0.0763 | |
| 540 | A | C | -0.1018 | |
| 200 | G | D | -1.6003 | |
| 201 | P | D | -1.8723 | |
| 202 | Q | D | -2.4038 | |
| 203 | Q | D | -2.1353 | |
| 204 | Q | D | -2.2209 | |
| 205 | Q | D | -1.8591 | |
| 206 | M | D | -1.0734 | |
| 207 | L | D | -0.9168 | |
| 208 | A | D | -0.8587 | |
| 209 | L | D | -0.2322 | |
| 210 | I | D | 0.0000 | |
| 211 | D | D | -1.5979 | |
| 212 | D | D | -2.5240 | |
| 213 | E | D | -2.1231 | |
| 214 | L | D | 0.0000 | |
| 215 | D | D | -2.9618 | |
| 216 | A | D | -1.9060 | |
| 217 | M | D | 0.0000 | |
| 218 | D | D | -2.4936 | |
| 219 | E | D | -2.4483 | |
| 220 | D | D | -2.9642 | |
| 221 | E | D | 0.0000 | |
| 222 | L | D | 0.0000 | |
| 223 | Q | D | -1.9232 | |
| 224 | Q | D | -1.5264 | |
| 225 | L | D | 0.0000 | |
| 226 | S | D | -1.8098 | |
| 227 | R | D | -2.2174 | |
| 228 | L | D | -2.0628 | |
| 229 | I | D | 0.0000 | |
| 230 | E | D | -3.2229 | |
| 231 | K | D | -3.3981 | |
| 232 | K | D | 0.0000 | |
| 233 | K | D | -3.0607 | |
| 234 | R | D | -3.2574 | |
| 235 | A | D | -2.4101 | |
| 236 | R | D | -2.4647 | |
| 237 | L | D | -1.0672 | |
| 238 | Q | D | -2.3043 | |
| 239 | R | D | -2.7340 | |
| 240 | G | D | -1.6533 | |
| 241 | A | D | -1.1013 | |
| 242 | A | D | -1.0943 | |
| 243 | S | D | -1.2085 | |
| 244 | S | D | -1.2920 | |
| 245 | G | D | -1.0977 | |
| 246 | T | D | -0.6954 | |
| 247 | S | D | -0.6865 | |
| 248 | P | D | -1.0867 | |
| 249 | S | D | -0.5701 | |
| 250 | S | D | -0.4787 | |
| 251 | T | D | -0.2714 | |
| 252 | S | D | -0.3390 | |
| 253 | P | D | -0.1538 | |
| 254 | V | D | 0.3504 | |
| 255 | Y | D | 0.0895 | |
| 256 | D | D | -0.7609 | |
| 257 | L | D | 0.0000 | |
| 258 | Q | D | -1.8334 | |
| 259 | R | D | -2.4530 | |
| 260 | Y | D | -1.5295 | |
| 261 | T | D | -1.5289 | |
| 262 | A | D | -1.6487 | |
| 263 | E | D | -2.6672 | |
| 264 | S | D | -1.8294 | |
| 265 | L | D | -1.5902 | |
| 266 | R | D | -2.5174 | |
| 267 | L | D | -1.4242 | |
| 268 | A | D | -0.8193 | |
| 269 | P | D | -0.5502 | |
| 270 | Y | D | 0.0859 | |
| 271 | P | D | -0.0393 | |
| 272 | A | D | -0.0960 | |
| 273 | D | D | -0.6199 | |
| 274 | L | D | 0.0000 | |
| 275 | K | D | 0.0000 | |
| 276 | V | D | 0.4460 | |
| 277 | P | D | 0.0000 | |
| 278 | T | D | 0.0000 | |
| 279 | A | D | 0.0000 | |
| 280 | F | D | 0.2940 | |
| 281 | P | D | 0.0000 | |
| 282 | Q | D | -0.5410 | |
| 283 | D | D | 0.0000 | |
| 284 | H | D | -0.8864 | |
| 285 | Q | D | -0.7839 | |
| 286 | P | D | -0.4703 | |
| 287 | R | D | 0.0000 | |
| 288 | G | D | 0.0000 | |
| 289 | R | D | -0.3465 | |
| 290 | I | D | 0.0000 | |
| 291 | L | D | 0.0000 | |
| 292 | L | D | 0.0000 | |
| 293 | S | D | -1.4403 | |
| 294 | H | D | 0.0000 | |
| 295 | D | D | -2.5396 | |
| 296 | E | D | -1.2942 | |
| 297 | L | D | 0.0000 | |
| 298 | M | D | 0.0000 | |
| 299 | H | D | -1.4368 | |
| 300 | T | D | 0.0000 | |
| 301 | D | D | 0.0000 | |
| 302 | Y | D | 0.0000 | |
| 303 | L | D | 0.0000 | |
| 304 | L | D | 0.0000 | |
| 305 | H | D | -0.4269 | |
| 306 | I | D | 0.0000 | |
| 307 | R | D | 0.0000 | |
| 308 | Q | D | -0.6923 | |
| 309 | Q | D | -0.1664 | |
| 310 | F | D | 0.0000 | |
| 311 | D | D | -0.8317 | |
| 312 | W | D | -0.0857 | |
| 313 | L | D | -0.7204 | |
| 314 | E | D | -1.7897 | |
| 315 | E | D | -2.8296 | |
| 316 | P | D | -2.0965 | |
| 317 | L | D | -1.1646 | |
| 318 | L | D | 0.0000 | |
| 319 | R | D | -2.9487 | |
| 320 | K | D | -2.0425 | |
| 321 | L | D | 0.0000 | |
| 322 | V | D | 0.0000 | |
| 323 | V | D | 0.0000 | |
| 324 | E | D | 0.0000 | |
| 325 | K | D | 0.0000 | |
| 326 | I | D | 0.0445 | |
| 327 | F | D | 0.0000 | |
| 328 | A | D | 0.0000 | |
| 329 | V | D | 0.0000 | |
| 330 | Y | D | 0.5192 | |
| 331 | N | D | 0.0000 | |
| 332 | A | D | 0.0000 | |
| 333 | P | D | 0.0000 | |
| 334 | N | D | 0.0000 | |
| 335 | L | D | 0.0000 | |
| 336 | H | D | 0.0000 | |
| 337 | T | D | 0.0000 | |
| 338 | L | D | 0.0000 | |
| 339 | L | D | 0.0000 | |
| 340 | A | D | 0.0000 | |
| 341 | I | D | 0.0000 | |
| 342 | I | D | 0.0000 | |
| 343 | D | D | 0.0000 | |
| 344 | E | D | 0.0000 | |
| 345 | T | D | 0.0000 | |
| 346 | L | D | 0.3728 | |
| 347 | S | D | 0.0000 | |
| 348 | Y | D | 0.0000 | |
| 349 | M | D | 0.5177 | |
| 350 | K | D | 0.0000 | |
| 351 | Y | D | 0.0000 | |
| 352 | H | D | 0.0000 | |
| 353 | H | D | -0.2089 | |
| 354 | L | D | 0.6379 | |
| 355 | H | D | 0.0622 | |
| 356 | G | D | -0.1747 | |
| 357 | L | D | 0.0000 | |
| 358 | P | D | 0.0000 | |
| 359 | V | D | 0.0000 | |
| 360 | N | D | 0.0000 | |
| 361 | P | D | -0.8161 | |
| 362 | H | D | -1.9161 | |
| 363 | D | D | 0.0000 | |
| 364 | P | D | 0.0000 | |
| 365 | Y | D | 0.0000 | |
| 366 | L | D | -0.5572 | |
| 367 | E | D | -1.8014 | |
| 368 | T | D | 0.0000 | |
| 369 | V | D | -0.4338 | |
| 370 | G | D | -1.0848 | |
| 371 | G | D | -0.9951 | |
| 372 | M | D | 0.0000 | |
| 373 | R | D | -2.2816 | |
| 374 | Q | D | -2.1804 | |
| 375 | L | D | -0.9926 | |
| 376 | L | D | -0.9392 | |
| 377 | F | D | 0.0000 | |
| 378 | N | D | -1.3683 | |
| 379 | K | D | -0.6802 | |
| 380 | L | D | 0.0000 | |
| 381 | N | D | -1.0910 | |
| 382 | N | D | 0.0000 | |
| 383 | L | D | 0.0000 | |
| 384 | D | D | -1.2308 | |
| 385 | L | D | 0.0000 | |
| 386 | G | D | 0.0000 | |
| 387 | C | D | -1.8613 | |
| 388 | I | D | 0.0000 | |
| 389 | L | D | -0.9281 | |
| 390 | D | D | -1.7054 | |
| 391 | H | D | -2.1381 | |
| 392 | Q | D | -2.3791 | |
| 393 | D | D | -2.5953 | |
| 394 | G | D | -1.2553 | |
| 395 | W | D | -0.6330 | |
| 396 | G | D | -1.4553 | |
| 397 | D | D | -2.0768 | |
| 398 | H | D | -1.8283 | |
| 399 | C | D | 0.0000 | |
| 400 | S | D | -1.0395 | |
| 401 | T | D | -0.9061 | |
| 402 | L | D | -0.7058 | |
| 403 | K | D | -1.3436 | |
| 404 | R | D | -1.3029 | |
| 405 | L | D | -1.1370 | |
| 406 | V | D | -1.3723 | |
| 407 | K | D | -2.3664 | |
| 408 | K | D | -2.7233 | |
| 409 | P | D | -2.1928 | |
| 410 | G | D | -2.0469 | |
| 411 | Q | D | -2.5675 | |
| 412 | M | D | 0.0000 | |
| 413 | S | D | -0.5376 | |
| 414 | A | D | -0.4841 | |
| 415 | W | D | 0.1864 | |
| 416 | L | D | -0.9409 | |
| 417 | R | D | -2.7372 | |
| 418 | D | D | -3.2259 | |
| 419 | D | D | -3.2543 | |
| 420 | V | D | 0.0000 | |
| 421 | C | D | -3.0927 | |
| 422 | D | D | -3.8004 | |
| 423 | L | D | -2.4990 | |
| 424 | Q | D | -2.5117 | |
| 425 | K | D | -3.1889 | |
| 426 | R | D | -2.9323 | |
| 427 | P | D | -2.0568 | |
| 428 | P | D | -1.7548 | |
| 429 | E | D | -2.2519 | |
| 430 | T | D | -1.2147 | |
| 431 | F | D | -0.8283 | |
| 432 | S | D | -0.9191 | |
| 433 | Q | D | -1.2045 | |
| 459 | V | D | 1.5724 | |
| 460 | T | D | 0.6134 | |
| 461 | G | D | 0.0327 | |
| 462 | T | D | 0.2946 | |
| 463 | P | D | 0.2273 | |
| 464 | Q | D | 0.0383 | |
| 465 | F | D | -0.1725 | |
| 466 | F | D | -0.2348 | |
| 467 | D | D | -1.7667 | |
| 468 | Q | D | -1.0553 | |
| 469 | F | D | 0.6026 | |
| 470 | D | D | -0.6842 | |
| 471 | T | D | -0.9886 | |
| 472 | N | D | -1.5212 | |
| 473 | N | D | -2.1048 | |
| 474 | A | D | -1.5978 | |
| 475 | M | D | -0.5238 | |
| 476 | G | D | -0.9696 | |
| 477 | T | D | -1.1937 | |
| 478 | Y | D | -0.9937 | |
| 479 | R | D | -1.5933 | |
| 480 | C | D | 0.0000 | |
| 481 | G | D | 0.0000 | |
| 482 | A | D | -0.1203 | |
| 483 | V | D | 0.4753 | |
| 484 | S | D | 0.0000 | |
| 485 | D | D | -0.2533 | |
| 486 | L | D | 1.1959 | |
| 487 | I | D | 0.8131 | |
| 488 | L | D | 0.0000 | |
| 489 | G | D | 0.2349 | |
| 490 | A | D | 0.0348 | |
| 491 | L | D | 0.0000 | |
| 492 | Q | D | -0.8136 | |
| 493 | C | D | -0.1019 | |
| 494 | H | D | -1.0820 | |
| 495 | E | D | -2.3330 | |
| 496 | C | D | -1.9826 | |
| 497 | Q | D | -2.1857 | |
| 498 | N | D | -2.2471 | |
| 499 | E | D | -1.9392 | |
| 500 | M | D | -1.5934 | |
| 501 | C | D | 0.0000 | |
| 502 | E | D | -2.4026 | |
| 503 | L | D | 0.0000 | |
| 504 | R | D | -0.9642 | |
| 505 | I | D | -0.6767 | |
| 506 | Q | D | -0.7152 | |
| 507 | R | D | 0.0000 | |
| 508 | A | D | 0.0000 | |
| 509 | L | D | -0.0070 | |
| 510 | A | D | 0.0000 | |
| 511 | P | D | -0.0522 | |
| 512 | Y | D | 0.0000 | |
| 513 | R | D | 0.0000 | |
| 514 | F | D | 0.0000 | |
| 515 | M | D | 0.0000 | |
| 516 | I | D | 0.0000 | |
| 517 | A | D | 0.0000 | |
| 518 | Y | D | 0.0000 | |
| 519 | C | D | 0.0000 | |
| 520 | P | D | 0.0000 | |
| 521 | F | D | -0.9941 | |
| 522 | D | D | -2.0844 | |
| 523 | E | D | -2.6406 | |
| 524 | Q | D | -1.6291 | |
| 525 | S | D | 0.0000 | |
| 526 | L | D | -0.3228 | |
| 527 | L | D | 0.0000 | |
| 528 | D | D | 0.0000 | |
| 529 | L | D | 0.0000 | |
| 530 | T | D | -0.0527 | |
| 531 | V | D | 0.0000 | |
| 532 | F | D | 0.0000 | |
| 533 | A | D | 0.0000 | |
| 534 | G | D | -0.2201 | |
| 535 | T | D | -0.1426 | |
| 536 | T | D | 0.0000 | |
| 537 | T | D | -0.1083 | |
| 538 | T | D | 0.0000 | |
| 539 | T | D | -0.0552 | |
| 540 | A | D | -0.0416 |
Calculations for various pH values
This page contains details and comparisons for all models calculated at different pH points.
Please find suggestions on interpreting the results below. More details can be found in the Tutorial.
The input structure is partially or entirely disordered. Average score is recommended for pH analysis.
pH |
Average A4D Score |
Max A4D Score |
|||
| 4.0 | -0.4767 | 4.0234 | View | CSV | PDB |
| 4.5 | -0.5515 | 3.8966 | View | CSV | PDB |
| 5.0 | -0.6408 | 3.7458 | View | CSV | PDB |
| 5.5 | -0.7311 | 3.5846 | View | CSV | PDB |
| 6.0 | -0.811 | 3.4199 | View | CSV | PDB |
| 6.5 | -0.8739 | 3.2543 | View | CSV | PDB |
| 7.0 | -0.9208 | 3.0892 | View | CSV | PDB |
| 7.5 | -0.9574 | 2.9266 | View | CSV | PDB |
| 8.0 | -0.9878 | 2.7711 | View | CSV | PDB |
| 8.5 | -1.0105 | 2.6323 | View | CSV | PDB |
| 9.0 | -1.0209 | 2.5239 | View | CSV | PDB |
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