| Chain sequence(s) |
A: MQWSGARALEALLTVAGELRGPPLQLDTGQLLKIAKRGGVTAVEAVHAWRNALTGAPLNLTPEQVVAIASHDGGKQALETVQRLLPVLCQAHGLTPQQVVAIASHDGGKQALETVQRLLPVLCQAHGLTPEQVVAIASHDGGKQALETVQALLPVLCQAHGLTPEQVVAIASNGGGKQALETVQRLLPVLCQAHGLTPQQVVAIASNGGGKQALETVQRLLPVLCQAHGLTPQQVVAIASRGGGKQALETVQRLLPVLCQAHGLTPQQVVAIASNNGGKQALETVQRLLPVLCQAHGLTPQQVVAIASHDGGKQALETVQRLLPVLCQAHGLTPQQVVAIASNNGGKQALETVQRLLPVLCQAHGLTPEQVVAIASNGGGKQALETVQRLLPVLCQAHGLTPEQVVAIASHDGGKQALETVQRLLPVLCQAHGLTPQQVVAIASNGGGRPALESIVAQLSRPDPALAALTNDHLVALACLGGRPALDAVKKL
H: MQWSGARALEALLTVAGELRGPPLQLDTGQLLKIAKRGGVTAVEAVHAWRNALTGAPLNLTPEQVVAIASHDGGKQALETVQRLLPVLCQAHGLTPQQVVAIASHDGGKQALETVQRLLPVLCQAHGLTPEQVVAIASHDGGKQALETVQALLPVLCQAHGLTPEQVVAIASNGGGKQALETVQRLLPVLCQAHGLTPQQVVAIASNGGGKQALETVQRLLPVLCQAHGLTPQQVVAIASRGGGKQALETVQRLLPVLCQAHGLTPQQVVAIASNNGGKQALETVQRLLPVLCQAHGLTPQQVVAIASHDGGKQALETVQRLLPVLCQAHGLTPQQVVAIASNNGGKQALETVQRLLPVLCQAHGLTPEQVVAIASNGGGKQALETVQRLLPVLCQAHGLTPEQVVAIASHDGGKQALETVQRLLPVLCQAHGLTPQQVVAIASNGGGRPALESIVAQLSRPDPALAALTNDHLVALACLGGRPALDAVKKL B: MQWSGARALEALLTVAGELRGPPLQLDTGQLLKIAKRGGVTAVEAVHAWRNALTGAPLNLTPEQVVAIASHDGGKQALETVQRLLPVLCQAHGLTPQQVVAIASHDGGKQALETVQRLLPVLCQAHGLTPEQVVAIASHDGGKQALETVQALLPVLCQAHGLTPEQVVAIASNGGGKQALETVQRLLPVLCQAHGLTPQQVVAIASNGGGKQALETVQRLLPVLCQAHGLTPQQVVAIASRGGGKQALETVQRLLPVLCQAHGLTPQQVVAIASNNGGKQALETVQRLLPVLCQAHGLTPQQVVAIASHDGGKQALETVQRLLPVLCQAHGLTPQQVVAIASNNGGKQALETVQRLLPVLCQAHGLTPEQVVAIASNGGGKQALETVQRLLPVLCQAHGLTPEQVVAIASHDGGKQALETVQRLLPVLCQAHGLTPQQVVAIASNGGGRPALESIVAQLSRPDPALAALTNDHLVALACLGGRPALDAVKKL E: MQWSGARALEALLTVAGELRGPPLQLDTGQLLKIAKRGGVTAVEAVHAWRNALTGAPLNLTPEQVVAIASHDGGKQALETVQRLLPVLCQAHGLTPQQVVAIASHDGGKQALETVQRLLPVLCQAHGLTPEQVVAIASHDGGKQALETVQALLPVLCQAHGLTPEQVVAIASNGGGKQALETVQRLLPVLCQAHGLTPQQVVAIASNGGGKQALETVQRLLPVLCQAHGLTPQQVVAIASRGGGKQALETVQRLLPVLCQAHGLTPQQVVAIASNNGGKQALETVQRLLPVLCQAHGLTPQQVVAIASHDGGKQALETVQRLLPVLCQAHGLTPQQVVAIASNNGGKQALETVQRLLPVLCQAHGLTPEQVVAIASNGGGKQALETVQRLLPVLCQAHGLTPEQVVAIASHDGGKQALETVQRLLPVLCQAHGLTPQQVVAIASNGGGRPALESIVAQLSRPDPALAALTNDHLVALACLGGRPALDAVKKL input PDB |
| Selected Chain(s) | A,H,B,E |
| Distance of aggregation | 10 Å |
| FoldX usage | Yes |
| pH calculations | Yes |
| alphaCutter usage | No |
| 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] PDB-Info: The input structure is globular. Max score is recommended for pH analysis. (00:00:06)
[INFO] FoldX: Starting FoldX energy minimization (00:00:07)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:27:38)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/6bb190071bb945/tmp/folded.pdb (00:27:38)
[INFO] Main: Simulation completed successfully. (00:37:54)
|
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 |
|---|---|---|---|---|
| 230 | M | A | 0.8484 | |
| 231 | Q | A | -0.2171 | |
| 232 | W | A | 0.6360 | |
| 233 | S | A | 0.0240 | |
| 234 | G | A | -0.5642 | |
| 235 | A | A | -0.8433 | |
| 236 | R | A | -2.0507 | |
| 237 | A | A | -0.9920 | |
| 238 | L | A | -0.1729 | |
| 239 | E | A | -1.3306 | |
| 240 | A | A | -0.5149 | |
| 241 | L | A | 0.4894 | |
| 242 | L | A | 0.8989 | |
| 243 | T | A | 0.1065 | |
| 244 | V | A | -0.5128 | |
| 245 | A | A | -0.3019 | |
| 246 | G | A | -1.0270 | |
| 247 | E | A | -1.5272 | |
| 248 | L | A | 0.0000 | |
| 249 | R | A | -2.4797 | |
| 250 | G | A | -1.7504 | |
| 251 | P | A | -1.2819 | |
| 252 | P | A | -1.2555 | |
| 253 | L | A | 0.0000 | |
| 254 | Q | A | -2.5803 | |
| 255 | L | A | 0.0000 | |
| 256 | D | A | -2.5081 | |
| 257 | T | A | -1.2863 | |
| 258 | G | A | -0.8758 | |
| 259 | Q | A | -1.7829 | |
| 260 | L | A | -0.9083 | |
| 261 | L | A | -0.8069 | |
| 262 | K | A | -2.4794 | |
| 263 | I | A | 0.0000 | |
| 264 | A | A | -1.1939 | |
| 265 | K | A | -2.8093 | |
| 266 | R | A | -3.2612 | |
| 267 | G | A | -2.1021 | |
| 268 | G | A | -1.1267 | |
| 269 | V | A | 0.6630 | |
| 270 | T | A | -0.1969 | |
| 271 | A | A | 0.0000 | |
| 272 | V | A | 0.0000 | |
| 273 | E | A | -1.3873 | |
| 274 | A | A | 0.0000 | |
| 275 | V | A | 0.0000 | |
| 276 | H | A | -1.1560 | |
| 277 | A | A | -0.7370 | |
| 278 | W | A | -0.7080 | |
| 279 | R | A | -1.1741 | |
| 280 | N | A | -1.6051 | |
| 281 | A | A | -0.9009 | |
| 282 | L | A | 0.0000 | |
| 283 | T | A | -1.0962 | |
| 284 | G | A | -1.0713 | |
| 285 | A | A | -0.6528 | |
| 286 | P | A | -0.5855 | |
| 287 | L | A | -0.8795 | |
| 288 | N | A | -1.5107 | |
| 289 | L | A | 0.0000 | |
| 290 | T | A | -1.0128 | |
| 291 | P | A | -1.5019 | |
| 292 | E | A | -2.1066 | |
| 293 | Q | A | -1.3856 | |
| 294 | V | A | 0.0000 | |
| 295 | V | A | 0.0000 | |
| 296 | A | A | -0.8767 | |
| 297 | I | A | 0.0000 | |
| 298 | A | A | 0.0000 | |
| 299 | S | A | -1.9317 | |
| 300 | H | A | -2.5117 | |
| 301 | D | A | -3.0853 | |
| 302 | G | A | -2.2046 | |
| 303 | G | A | 0.0000 | |
| 304 | K | A | -1.7630 | |
| 305 | Q | A | -2.0751 | |
| 306 | A | A | 0.0000 | |
| 307 | L | A | 0.0000 | |
| 308 | E | A | -1.9144 | |
| 309 | T | A | 0.0000 | |
| 310 | V | A | 0.0000 | |
| 311 | Q | A | -1.2631 | |
| 312 | R | A | -1.9298 | |
| 313 | L | A | -0.8052 | |
| 314 | L | A | 0.0000 | |
| 315 | P | A | -0.3893 | |
| 316 | V | A | 0.0801 | |
| 317 | L | A | 0.0000 | |
| 318 | C | A | -0.5778 | |
| 319 | Q | A | -1.0606 | |
| 320 | A | A | -0.4792 | |
| 321 | H | A | -0.6341 | |
| 322 | G | A | -0.8348 | |
| 323 | L | A | 0.0000 | |
| 324 | T | A | -0.8029 | |
| 325 | P | A | -0.9296 | |
| 326 | Q | A | -1.3644 | |
| 327 | Q | A | -1.0585 | |
| 328 | V | A | 0.0000 | |
| 329 | V | A | 0.0000 | |
| 330 | A | A | -0.5055 | |
| 331 | I | A | 0.0000 | |
| 332 | A | A | 0.0000 | |
| 333 | S | A | -0.7526 | |
| 334 | H | A | -1.3975 | |
| 335 | D | A | -2.2172 | |
| 336 | G | A | -2.0462 | |
| 337 | G | A | 0.0000 | |
| 338 | K | A | -2.0063 | |
| 339 | Q | A | -2.2642 | |
| 340 | A | A | 0.0000 | |
| 341 | L | A | 0.0000 | |
| 342 | E | A | -1.7343 | |
| 343 | T | A | 0.0000 | |
| 344 | V | A | 0.0000 | |
| 345 | Q | A | -1.1858 | |
| 346 | R | A | -2.0949 | |
| 347 | L | A | -1.1902 | |
| 348 | L | A | 0.0000 | |
| 349 | P | A | -0.5036 | |
| 350 | V | A | -0.1007 | |
| 351 | L | A | 0.0000 | |
| 352 | C | A | -0.7146 | |
| 353 | Q | A | -1.0929 | |
| 354 | A | A | -0.5412 | |
| 355 | H | A | -0.6730 | |
| 356 | G | A | -0.8544 | |
| 357 | L | A | 0.0000 | |
| 358 | T | A | -1.0347 | |
| 359 | P | A | -1.2025 | |
| 360 | E | A | -2.0032 | |
| 361 | Q | A | -1.4013 | |
| 362 | V | A | 0.0000 | |
| 363 | V | A | 0.0000 | |
| 364 | A | A | -0.6783 | |
| 365 | I | A | 0.0000 | |
| 366 | A | A | 0.0000 | |
| 367 | S | A | -0.7072 | |
| 368 | H | A | -1.3985 | |
| 369 | D | A | -2.1189 | |
| 370 | G | A | -2.1071 | |
| 371 | G | A | 0.0000 | |
| 372 | K | A | -2.5233 | |
| 373 | Q | A | -2.6409 | |
| 374 | A | A | 0.0000 | |
| 375 | L | A | 0.0000 | |
| 376 | E | A | -2.5249 | |
| 377 | T | A | 0.0000 | |
| 378 | V | A | 0.0000 | |
| 379 | Q | A | -0.7645 | |
| 380 | A | A | -0.3209 | |
| 381 | L | A | -0.4146 | |
| 382 | L | A | 0.0000 | |
| 383 | P | A | -0.0781 | |
| 384 | V | A | 0.3202 | |
| 385 | L | A | 0.0000 | |
| 386 | C | A | -0.4230 | |
| 387 | Q | A | -1.3733 | |
| 388 | A | A | -0.9692 | |
| 389 | H | A | -0.8454 | |
| 390 | G | A | -1.0018 | |
| 391 | L | A | 0.0000 | |
| 392 | T | A | -0.9175 | |
| 393 | P | A | -1.1339 | |
| 394 | E | A | -1.9783 | |
| 395 | Q | A | -1.2369 | |
| 396 | V | A | 0.0000 | |
| 397 | V | A | 0.0000 | |
| 398 | A | A | -0.6624 | |
| 399 | I | A | 0.0000 | |
| 400 | A | A | 0.0000 | |
| 401 | S | A | -0.4903 | |
| 402 | N | A | -0.9980 | |
| 403 | G | A | -1.4779 | |
| 404 | G | A | -1.6406 | |
| 405 | G | A | 0.0000 | |
| 406 | K | A | -2.6040 | |
| 407 | Q | A | -2.5421 | |
| 408 | A | A | 0.0000 | |
| 409 | L | A | 0.0000 | |
| 410 | E | A | -3.0083 | |
| 411 | T | A | 0.0000 | |
| 412 | V | A | 0.0000 | |
| 413 | Q | A | -1.7472 | |
| 414 | R | A | -2.3465 | |
| 415 | L | A | 0.0000 | |
| 416 | L | A | 0.0000 | |
| 417 | P | A | -0.5711 | |
| 418 | V | A | -0.1518 | |
| 419 | L | A | 0.0000 | |
| 420 | C | A | -0.8502 | |
| 421 | Q | A | -1.3346 | |
| 422 | A | A | -0.6324 | |
| 423 | H | A | -0.7555 | |
| 424 | G | A | -1.0469 | |
| 425 | L | A | 0.0000 | |
| 426 | T | A | -1.0546 | |
| 427 | P | A | -0.8743 | |
| 428 | Q | A | -1.3887 | |
| 429 | Q | A | -1.0156 | |
| 430 | V | A | 0.0000 | |
| 431 | V | A | 0.0000 | |
| 432 | A | A | -0.7607 | |
| 433 | I | A | 0.0000 | |
| 434 | A | A | 0.0000 | |
| 435 | S | A | -0.7267 | |
| 436 | N | A | -1.1843 | |
| 437 | G | A | -1.2707 | |
| 438 | G | A | -1.6014 | |
| 439 | G | A | 0.0000 | |
| 440 | K | A | -2.5104 | |
| 441 | Q | A | -2.3235 | |
| 442 | A | A | 0.0000 | |
| 443 | L | A | 0.0000 | |
| 444 | E | A | -2.8196 | |
| 445 | T | A | 0.0000 | |
| 446 | V | A | 0.0000 | |
| 447 | Q | A | -1.6599 | |
| 448 | R | A | -2.3496 | |
| 449 | L | A | 0.0000 | |
| 450 | L | A | 0.0000 | |
| 451 | P | A | -0.6783 | |
| 452 | V | A | -0.2644 | |
| 453 | L | A | 0.0000 | |
| 454 | C | A | -0.6903 | |
| 455 | Q | A | -1.1190 | |
| 456 | A | A | -0.5878 | |
| 457 | H | A | -0.7245 | |
| 458 | G | A | -0.8533 | |
| 459 | L | A | 0.0000 | |
| 460 | T | A | -0.8271 | |
| 461 | P | A | -0.8883 | |
| 462 | Q | A | -1.3781 | |
| 463 | Q | A | -1.0386 | |
| 464 | V | A | 0.0000 | |
| 465 | V | A | 0.0000 | |
| 466 | A | A | -1.0474 | |
| 467 | I | A | 0.0000 | |
| 468 | A | A | 0.0000 | |
| 469 | S | A | 0.0000 | |
| 470 | R | A | -2.3347 | |
| 471 | G | A | -2.2125 | |
| 472 | G | A | 0.0000 | |
| 473 | G | A | -2.1372 | |
| 474 | K | A | -2.4130 | |
| 475 | Q | A | -2.5418 | |
| 476 | A | A | 0.0000 | |
| 477 | L | A | 0.0000 | |
| 478 | E | A | -2.2755 | |
| 479 | T | A | 0.0000 | |
| 480 | V | A | 0.0000 | |
| 481 | Q | A | -1.4365 | |
| 482 | R | A | -2.1124 | |
| 483 | L | A | -1.1814 | |
| 484 | L | A | 0.0000 | |
| 485 | P | A | -0.5438 | |
| 486 | V | A | -0.1701 | |
| 487 | L | A | 0.0000 | |
| 488 | C | A | -0.5297 | |
| 489 | Q | A | -1.1272 | |
| 490 | A | A | -0.5917 | |
| 491 | H | A | -0.8958 | |
| 492 | G | A | -0.8350 | |
| 493 | L | A | 0.0000 | |
| 494 | T | A | -0.8220 | |
| 495 | P | A | -0.9670 | |
| 496 | Q | A | -1.4028 | |
| 497 | Q | A | -0.9833 | |
| 498 | V | A | 0.0000 | |
| 499 | V | A | 0.0000 | |
| 500 | A | A | -0.6908 | |
| 501 | I | A | 0.0000 | |
| 502 | A | A | 0.0000 | |
| 503 | S | A | -1.3352 | |
| 504 | N | A | -1.9730 | |
| 505 | N | A | -2.4865 | |
| 506 | G | A | -2.2087 | |
| 507 | G | A | 0.0000 | |
| 508 | K | A | -2.4665 | |
| 509 | Q | A | -2.3815 | |
| 510 | A | A | 0.0000 | |
| 511 | L | A | 0.0000 | |
| 512 | E | A | -2.7125 | |
| 513 | T | A | 0.0000 | |
| 514 | V | A | 0.0000 | |
| 515 | Q | A | -1.8104 | |
| 516 | R | A | -2.2291 | |
| 517 | L | A | -1.0474 | |
| 518 | L | A | 0.0000 | |
| 519 | P | A | -0.3593 | |
| 520 | V | A | 0.2155 | |
| 521 | L | A | 0.0000 | |
| 522 | C | A | -0.4165 | |
| 523 | Q | A | -1.0768 | |
| 524 | A | A | -0.6048 | |
| 525 | H | A | -1.1381 | |
| 526 | G | A | -0.9120 | |
| 527 | L | A | 0.0000 | |
| 528 | T | A | -0.7654 | |
| 529 | P | A | -0.8376 | |
| 530 | Q | A | -1.3514 | |
| 531 | Q | A | -0.9350 | |
| 532 | V | A | 0.0000 | |
| 533 | V | A | 0.0000 | |
| 534 | A | A | -0.4766 | |
| 535 | I | A | 0.0000 | |
| 536 | A | A | 0.0000 | |
| 537 | S | A | -0.7826 | |
| 538 | H | A | -1.4085 | |
| 539 | D | A | -1.9450 | |
| 540 | G | A | -1.8246 | |
| 541 | G | A | 0.0000 | |
| 542 | K | A | -2.1890 | |
| 543 | Q | A | -2.1057 | |
| 544 | A | A | 0.0000 | |
| 545 | L | A | 0.0000 | |
| 546 | E | A | -2.1621 | |
| 547 | T | A | 0.0000 | |
| 548 | V | A | 0.0000 | |
| 549 | Q | A | -1.3765 | |
| 550 | R | A | -2.1197 | |
| 551 | L | A | -1.2872 | |
| 552 | L | A | 0.0000 | |
| 553 | P | A | -0.6489 | |
| 554 | V | A | 0.0206 | |
| 555 | L | A | 0.0000 | |
| 556 | C | A | -0.6472 | |
| 557 | Q | A | -1.1028 | |
| 558 | A | A | -0.5320 | |
| 559 | H | A | -0.7341 | |
| 560 | G | A | -0.8677 | |
| 561 | L | A | 0.0000 | |
| 562 | T | A | -0.8298 | |
| 563 | P | A | -1.0630 | |
| 564 | Q | A | -1.3404 | |
| 565 | Q | A | -0.9911 | |
| 566 | V | A | 0.0000 | |
| 567 | V | A | 0.0000 | |
| 568 | A | A | -0.4362 | |
| 569 | I | A | 0.0000 | |
| 570 | A | A | 0.0000 | |
| 571 | S | A | -0.6875 | |
| 572 | N | A | -1.5193 | |
| 573 | N | A | -2.0933 | |
| 574 | G | A | -1.8614 | |
| 575 | G | A | 0.0000 | |
| 576 | K | A | -2.6461 | |
| 577 | Q | A | -2.6293 | |
| 578 | A | A | 0.0000 | |
| 579 | L | A | 0.0000 | |
| 580 | E | A | -2.9764 | |
| 581 | T | A | 0.0000 | |
| 582 | V | A | 0.0000 | |
| 583 | Q | A | -1.7542 | |
| 584 | R | A | -2.4005 | |
| 585 | L | A | 0.0000 | |
| 586 | L | A | 0.0000 | |
| 587 | P | A | -0.7385 | |
| 588 | V | A | -0.3054 | |
| 589 | L | A | 0.0000 | |
| 590 | C | A | -0.5972 | |
| 591 | Q | A | -1.1883 | |
| 592 | A | A | -0.6160 | |
| 593 | H | A | -0.7905 | |
| 594 | G | A | -0.8931 | |
| 595 | L | A | 0.0000 | |
| 596 | T | A | -1.0269 | |
| 597 | P | A | -1.2309 | |
| 598 | E | A | -1.9789 | |
| 599 | Q | A | -1.3136 | |
| 600 | V | A | 0.0000 | |
| 601 | V | A | 0.0000 | |
| 602 | A | A | -0.6322 | |
| 603 | I | A | 0.0000 | |
| 604 | A | A | 0.0000 | |
| 605 | S | A | -0.6254 | |
| 606 | N | A | -1.4711 | |
| 607 | G | A | -1.8607 | |
| 608 | G | A | -1.9979 | |
| 609 | G | A | 0.0000 | |
| 610 | K | A | -2.6406 | |
| 611 | Q | A | -2.7491 | |
| 612 | A | A | 0.0000 | |
| 613 | L | A | 0.0000 | |
| 614 | E | A | -2.9130 | |
| 615 | T | A | 0.0000 | |
| 616 | V | A | 0.0000 | |
| 617 | Q | A | -1.7546 | |
| 618 | R | A | -2.2051 | |
| 619 | L | A | -1.1138 | |
| 620 | L | A | 0.0000 | |
| 621 | P | A | -0.5249 | |
| 622 | V | A | 0.0226 | |
| 623 | L | A | 0.0000 | |
| 624 | C | A | -0.4527 | |
| 625 | Q | A | -1.0552 | |
| 626 | A | A | -0.4997 | |
| 627 | H | A | -0.8882 | |
| 628 | G | A | -1.0878 | |
| 629 | L | A | 0.0000 | |
| 630 | T | A | -1.0121 | |
| 631 | P | A | -1.2396 | |
| 632 | E | A | -2.0084 | |
| 633 | Q | A | -1.2131 | |
| 634 | V | A | 0.0000 | |
| 635 | V | A | 0.0000 | |
| 636 | A | A | -0.7059 | |
| 637 | I | A | 0.0000 | |
| 638 | A | A | 0.0000 | |
| 639 | S | A | -0.9316 | |
| 640 | H | A | -1.7981 | |
| 641 | D | A | -2.8339 | |
| 642 | G | A | -2.2818 | |
| 643 | G | A | 0.0000 | |
| 644 | K | A | -2.5421 | |
| 645 | Q | A | -2.0394 | |
| 646 | A | A | 0.0000 | |
| 647 | L | A | 0.0000 | |
| 648 | E | A | -1.8005 | |
| 649 | T | A | 0.0000 | |
| 650 | V | A | 0.0000 | |
| 651 | Q | A | -1.4460 | |
| 652 | R | A | -2.2104 | |
| 653 | L | A | -1.0163 | |
| 654 | L | A | 0.0000 | |
| 655 | P | A | -0.6414 | |
| 656 | V | A | -0.1143 | |
| 657 | L | A | 0.0000 | |
| 658 | C | A | -0.6730 | |
| 659 | Q | A | -1.1945 | |
| 660 | A | A | -0.5212 | |
| 661 | H | A | -0.6372 | |
| 662 | G | A | -0.9144 | |
| 663 | L | A | 0.0000 | |
| 664 | T | A | -0.7453 | |
| 665 | P | A | -0.6481 | |
| 666 | Q | A | -1.0195 | |
| 667 | Q | A | -0.8957 | |
| 668 | V | A | 0.0000 | |
| 669 | V | A | 0.0000 | |
| 670 | A | A | -0.3737 | |
| 671 | I | A | 0.0000 | |
| 672 | A | A | 0.0000 | |
| 673 | S | A | -0.7373 | |
| 674 | N | A | -1.2600 | |
| 675 | G | A | -1.6532 | |
| 676 | G | A | -1.6736 | |
| 677 | G | A | 0.0000 | |
| 678 | R | A | -1.7855 | |
| 679 | P | A | -1.4826 | |
| 680 | A | A | 0.0000 | |
| 681 | L | A | 0.0000 | |
| 682 | E | A | -1.9206 | |
| 683 | S | A | -1.3347 | |
| 684 | I | A | 0.0000 | |
| 685 | V | A | -0.4862 | |
| 686 | A | A | -0.9510 | |
| 687 | Q | A | -1.0993 | |
| 688 | L | A | -0.4662 | |
| 689 | S | A | -0.9510 | |
| 690 | R | A | -1.9727 | |
| 691 | P | A | -0.9632 | |
| 692 | D | A | -1.1236 | |
| 693 | P | A | -0.5276 | |
| 694 | A | A | 0.3008 | |
| 695 | L | A | 0.9440 | |
| 696 | A | A | 0.6920 | |
| 697 | A | A | 0.6267 | |
| 698 | L | A | -0.0235 | |
| 699 | T | A | -0.4711 | |
| 700 | N | A | -1.2352 | |
| 701 | D | A | -1.8728 | |
| 702 | H | A | 0.0000 | |
| 703 | L | A | 0.0000 | |
| 704 | V | A | 0.0000 | |
| 705 | A | A | -0.4189 | |
| 706 | L | A | 0.0000 | |
| 707 | A | A | 0.0000 | |
| 708 | C | A | 0.1032 | |
| 709 | L | A | 0.2744 | |
| 710 | G | A | -0.3197 | |
| 711 | G | A | 0.0000 | |
| 712 | R | A | -2.0644 | |
| 713 | P | A | -1.2050 | |
| 714 | A | A | 0.0000 | |
| 715 | L | A | 0.0000 | |
| 716 | D | A | -2.1745 | |
| 717 | A | A | -1.2724 | |
| 718 | V | A | -0.7551 | |
| 719 | K | A | -1.3944 | |
| 720 | K | A | -1.6038 | |
| 721 | L | A | 0.4033 | |
| 230 | M | B | 0.4229 | |
| 231 | Q | B | -0.3920 | |
| 232 | W | B | 0.6174 | |
| 233 | S | B | -0.2304 | |
| 234 | G | B | -0.6311 | |
| 235 | A | B | -0.8352 | |
| 236 | R | B | -2.0755 | |
| 237 | A | B | -0.9052 | |
| 238 | L | B | -0.3785 | |
| 239 | E | B | -1.3280 | |
| 240 | A | B | -0.4476 | |
| 241 | L | B | 0.4926 | |
| 242 | L | B | 1.1017 | |
| 243 | T | B | 0.1894 | |
| 244 | V | B | -0.4818 | |
| 245 | A | B | -0.3096 | |
| 246 | G | B | -1.1163 | |
| 247 | E | B | -1.6521 | |
| 248 | L | B | 0.0000 | |
| 249 | R | B | -2.9082 | |
| 250 | G | B | -1.7842 | |
| 251 | P | B | -1.3815 | |
| 252 | P | B | -1.3146 | |
| 253 | L | B | 0.0000 | |
| 254 | Q | B | -2.7390 | |
| 255 | L | B | 0.0000 | |
| 256 | D | B | -2.5702 | |
| 257 | T | B | -1.3216 | |
| 258 | G | B | -0.8156 | |
| 259 | Q | B | 0.0000 | |
| 260 | L | B | 0.0000 | |
| 261 | L | B | -0.7563 | |
| 262 | K | B | -2.4208 | |
| 263 | I | B | 0.0000 | |
| 264 | A | B | -1.4797 | |
| 265 | K | B | -2.9894 | |
| 266 | R | B | -3.4878 | |
| 267 | G | B | -2.3356 | |
| 268 | G | B | -1.5694 | |
| 269 | V | B | -0.1915 | |
| 270 | T | B | -0.6174 | |
| 271 | A | B | 0.0000 | |
| 272 | V | B | 0.0000 | |
| 273 | E | B | -1.5920 | |
| 274 | A | B | 0.0000 | |
| 275 | V | B | 0.0000 | |
| 276 | H | B | -1.1137 | |
| 277 | A | B | -0.7266 | |
| 278 | W | B | -0.7613 | |
| 279 | R | B | -1.1386 | |
| 280 | N | B | -1.5916 | |
| 281 | A | B | -0.8735 | |
| 282 | L | B | 0.0000 | |
| 283 | T | B | -1.0923 | |
| 284 | G | B | -1.0666 | |
| 285 | A | B | -0.6486 | |
| 286 | P | B | -0.5656 | |
| 287 | L | B | -0.8715 | |
| 288 | N | B | -1.5144 | |
| 289 | L | B | 0.0000 | |
| 290 | T | B | -1.0088 | |
| 291 | P | B | -1.4273 | |
| 292 | E | B | -2.0239 | |
| 293 | Q | B | -1.3580 | |
| 294 | V | B | 0.0000 | |
| 295 | V | B | -0.8951 | |
| 296 | A | B | -0.7754 | |
| 297 | I | B | 0.0000 | |
| 298 | A | B | 0.0000 | |
| 299 | S | B | -1.8895 | |
| 300 | H | B | -2.6045 | |
| 301 | D | B | -3.1961 | |
| 302 | G | B | -2.1738 | |
| 303 | G | B | 0.0000 | |
| 304 | K | B | -2.0326 | |
| 305 | Q | B | -2.3163 | |
| 306 | A | B | 0.0000 | |
| 307 | L | B | 0.0000 | |
| 308 | E | B | -2.4170 | |
| 309 | T | B | 0.0000 | |
| 310 | V | B | 0.0000 | |
| 311 | Q | B | -1.4048 | |
| 312 | R | B | -2.0329 | |
| 313 | L | B | -0.9710 | |
| 314 | L | B | 0.0000 | |
| 315 | P | B | -0.3781 | |
| 316 | V | B | -0.1648 | |
| 317 | L | B | 0.0000 | |
| 318 | C | B | -0.5862 | |
| 319 | Q | B | -1.1986 | |
| 320 | A | B | -0.9358 | |
| 321 | H | B | -0.7591 | |
| 322 | G | B | -0.9613 | |
| 323 | L | B | 0.0000 | |
| 324 | T | B | -0.7837 | |
| 325 | P | B | -0.9176 | |
| 326 | Q | B | -1.3544 | |
| 327 | Q | B | -1.0297 | |
| 328 | V | B | 0.0000 | |
| 329 | V | B | 0.0000 | |
| 330 | A | B | -0.4961 | |
| 331 | I | B | 0.0000 | |
| 332 | A | B | 0.0000 | |
| 333 | S | B | -0.7086 | |
| 334 | H | B | -1.4068 | |
| 335 | D | B | -2.1239 | |
| 336 | G | B | -1.9141 | |
| 337 | G | B | 0.0000 | |
| 338 | K | B | -2.1753 | |
| 339 | Q | B | -2.1918 | |
| 340 | A | B | 0.0000 | |
| 341 | L | B | 0.0000 | |
| 342 | E | B | -2.1772 | |
| 343 | T | B | 0.0000 | |
| 344 | V | B | 0.0000 | |
| 345 | Q | B | -1.3664 | |
| 346 | R | B | -2.2096 | |
| 347 | L | B | -1.1670 | |
| 348 | L | B | 0.0000 | |
| 349 | P | B | -0.5716 | |
| 350 | V | B | -0.0026 | |
| 351 | L | B | 0.0000 | |
| 352 | C | B | -0.7070 | |
| 353 | Q | B | -1.2478 | |
| 354 | A | B | -0.4641 | |
| 355 | H | B | -0.6329 | |
| 356 | G | B | -0.8934 | |
| 357 | L | B | 0.0000 | |
| 358 | T | B | -1.0485 | |
| 359 | P | B | -1.3333 | |
| 360 | E | B | -2.0113 | |
| 361 | Q | B | -1.4108 | |
| 362 | V | B | 0.0000 | |
| 363 | V | B | 0.0000 | |
| 364 | A | B | -0.6826 | |
| 365 | I | B | 0.0000 | |
| 366 | A | B | 0.0000 | |
| 367 | S | B | -0.6823 | |
| 368 | H | B | -1.3852 | |
| 369 | D | B | -2.2387 | |
| 370 | G | B | -2.0256 | |
| 371 | G | B | 0.0000 | |
| 372 | K | B | -2.4623 | |
| 373 | Q | B | -2.5735 | |
| 374 | A | B | 0.0000 | |
| 375 | L | B | 0.0000 | |
| 376 | E | B | -2.6680 | |
| 377 | T | B | 0.0000 | |
| 378 | V | B | 0.0000 | |
| 379 | Q | B | -0.6984 | |
| 380 | A | B | -0.3308 | |
| 381 | L | B | -0.4168 | |
| 382 | L | B | 0.0000 | |
| 383 | P | B | -0.1214 | |
| 384 | V | B | 0.3254 | |
| 385 | L | B | 0.0000 | |
| 386 | C | B | -0.4600 | |
| 387 | Q | B | -1.0479 | |
| 388 | A | B | -0.5135 | |
| 389 | H | B | -0.6512 | |
| 390 | G | B | -0.8147 | |
| 391 | L | B | 0.0000 | |
| 392 | T | B | -0.9975 | |
| 393 | P | B | -1.2024 | |
| 394 | E | B | -2.0161 | |
| 395 | Q | B | -1.3066 | |
| 396 | V | B | 0.0000 | |
| 397 | V | B | 0.0000 | |
| 398 | A | B | -0.6871 | |
| 399 | I | B | 0.0000 | |
| 400 | A | B | 0.0000 | |
| 401 | S | B | -0.5070 | |
| 402 | N | B | -1.0179 | |
| 403 | G | B | -1.4825 | |
| 404 | G | B | -1.6461 | |
| 405 | G | B | 0.0000 | |
| 406 | K | B | -2.4868 | |
| 407 | Q | B | -2.3553 | |
| 408 | A | B | 0.0000 | |
| 409 | L | B | 0.0000 | |
| 410 | E | B | -2.9122 | |
| 411 | T | B | 0.0000 | |
| 412 | V | B | 0.0000 | |
| 413 | Q | B | -1.7276 | |
| 414 | R | B | -2.3466 | |
| 415 | L | B | 0.0000 | |
| 416 | L | B | 0.0000 | |
| 417 | P | B | -0.6018 | |
| 418 | V | B | -0.1768 | |
| 419 | L | B | 0.0000 | |
| 420 | C | B | -0.5705 | |
| 421 | Q | B | -1.1566 | |
| 422 | A | B | -0.5721 | |
| 423 | H | B | -0.6979 | |
| 424 | G | B | -0.8671 | |
| 425 | L | B | 0.0000 | |
| 426 | T | B | -0.8130 | |
| 427 | P | B | -0.9038 | |
| 428 | Q | B | -1.3860 | |
| 429 | Q | B | -0.9865 | |
| 430 | V | B | 0.0000 | |
| 431 | V | B | 0.0000 | |
| 432 | A | B | -0.7546 | |
| 433 | I | B | 0.0000 | |
| 434 | A | B | 0.0000 | |
| 435 | S | B | -0.7363 | |
| 436 | N | B | -1.2105 | |
| 437 | G | B | -1.2795 | |
| 438 | G | B | -1.5801 | |
| 439 | G | B | 0.0000 | |
| 440 | K | B | -2.4366 | |
| 441 | Q | B | -2.2616 | |
| 442 | A | B | 0.0000 | |
| 443 | L | B | 0.0000 | |
| 444 | E | B | -2.8212 | |
| 445 | T | B | 0.0000 | |
| 446 | V | B | 0.0000 | |
| 447 | Q | B | -1.6921 | |
| 448 | R | B | -2.3632 | |
| 449 | L | B | 0.0000 | |
| 450 | L | B | 0.0000 | |
| 451 | P | B | -0.6504 | |
| 452 | V | B | -0.2178 | |
| 453 | L | B | 0.0000 | |
| 454 | C | B | -0.6718 | |
| 455 | Q | B | -1.0945 | |
| 456 | A | B | -0.5529 | |
| 457 | H | B | -0.6857 | |
| 458 | G | B | -0.8280 | |
| 459 | L | B | 0.0000 | |
| 460 | T | B | -0.8259 | |
| 461 | P | B | -0.9146 | |
| 462 | Q | B | -1.3802 | |
| 463 | Q | B | -1.0554 | |
| 464 | V | B | 0.0000 | |
| 465 | V | B | 0.0000 | |
| 466 | A | B | -1.0339 | |
| 467 | I | B | 0.0000 | |
| 468 | A | B | 0.0000 | |
| 469 | S | B | -1.4086 | |
| 470 | R | B | -2.3318 | |
| 471 | G | B | -2.2647 | |
| 472 | G | B | 0.0000 | |
| 473 | G | B | -2.1191 | |
| 474 | K | B | -2.3939 | |
| 475 | Q | B | -2.5230 | |
| 476 | A | B | 0.0000 | |
| 477 | L | B | 0.0000 | |
| 478 | E | B | -2.3059 | |
| 479 | T | B | 0.0000 | |
| 480 | V | B | 0.0000 | |
| 481 | Q | B | -1.4420 | |
| 482 | R | B | -2.1321 | |
| 483 | L | B | -1.1995 | |
| 484 | L | B | 0.0000 | |
| 485 | P | B | -0.6172 | |
| 486 | V | B | -0.2006 | |
| 487 | L | B | 0.0000 | |
| 488 | C | B | -0.5621 | |
| 489 | Q | B | -1.1564 | |
| 490 | A | B | -0.6073 | |
| 491 | H | B | -0.9122 | |
| 492 | G | B | -0.8527 | |
| 493 | L | B | 0.0000 | |
| 494 | T | B | -0.8198 | |
| 495 | P | B | -0.9651 | |
| 496 | Q | B | -1.4014 | |
| 497 | Q | B | -0.9746 | |
| 498 | V | B | 0.0000 | |
| 499 | V | B | 0.0000 | |
| 500 | A | B | -0.6679 | |
| 501 | I | B | 0.0000 | |
| 502 | A | B | 0.0000 | |
| 503 | S | B | 0.0000 | |
| 504 | N | B | -2.0044 | |
| 505 | N | B | -2.5744 | |
| 506 | G | B | -2.2415 | |
| 507 | G | B | 0.0000 | |
| 508 | K | B | -2.5065 | |
| 509 | Q | B | -2.4916 | |
| 510 | A | B | 0.0000 | |
| 511 | L | B | 0.0000 | |
| 512 | E | B | -2.7068 | |
| 513 | T | B | 0.0000 | |
| 514 | V | B | 0.0000 | |
| 515 | Q | B | -1.7925 | |
| 516 | R | B | -2.2384 | |
| 517 | L | B | 0.0000 | |
| 518 | L | B | 0.0000 | |
| 519 | P | B | -0.2633 | |
| 520 | V | B | 0.3635 | |
| 521 | L | B | 0.0000 | |
| 522 | C | B | -0.2476 | |
| 523 | Q | B | -0.9272 | |
| 524 | A | B | -0.6807 | |
| 525 | H | B | -1.1871 | |
| 526 | G | B | -0.8128 | |
| 527 | L | B | -0.5800 | |
| 528 | T | B | -0.6661 | |
| 529 | P | B | -0.7954 | |
| 530 | Q | B | -1.3253 | |
| 531 | Q | B | -0.8861 | |
| 532 | V | B | 0.0000 | |
| 533 | V | B | 0.0000 | |
| 534 | A | B | -0.4774 | |
| 535 | I | B | 0.0000 | |
| 536 | A | B | 0.0000 | |
| 537 | S | B | -0.7786 | |
| 538 | H | B | -1.4339 | |
| 539 | D | B | -2.1680 | |
| 540 | G | B | -1.9447 | |
| 541 | G | B | 0.0000 | |
| 542 | K | B | -2.3557 | |
| 543 | Q | B | -2.3817 | |
| 544 | A | B | 0.0000 | |
| 545 | L | B | 0.0000 | |
| 546 | E | B | -2.6293 | |
| 547 | T | B | 0.0000 | |
| 548 | V | B | 0.0000 | |
| 549 | Q | B | -1.6727 | |
| 550 | R | B | -2.2818 | |
| 551 | L | B | -1.2911 | |
| 552 | L | B | 0.0000 | |
| 553 | P | B | -0.8205 | |
| 554 | V | B | -0.0896 | |
| 555 | L | B | 0.0000 | |
| 556 | C | B | -0.8116 | |
| 557 | Q | B | -1.1526 | |
| 558 | A | B | -0.5735 | |
| 559 | H | B | -0.7707 | |
| 560 | G | B | -0.8924 | |
| 561 | L | B | 0.0000 | |
| 562 | T | B | -0.8141 | |
| 563 | P | B | -1.0410 | |
| 564 | Q | B | -1.2961 | |
| 565 | Q | B | -0.9756 | |
| 566 | V | B | 0.0000 | |
| 567 | V | B | 0.0000 | |
| 568 | A | B | -0.4325 | |
| 569 | I | B | 0.0000 | |
| 570 | A | B | 0.0000 | |
| 571 | S | B | -0.6689 | |
| 572 | N | B | -1.4174 | |
| 573 | N | B | -1.8974 | |
| 574 | G | B | -1.7941 | |
| 575 | G | B | 0.0000 | |
| 576 | K | B | -2.5023 | |
| 577 | Q | B | -2.2366 | |
| 578 | A | B | 0.0000 | |
| 579 | L | B | 0.0000 | |
| 580 | E | B | -2.1218 | |
| 581 | T | B | 0.0000 | |
| 582 | V | B | 0.0000 | |
| 583 | Q | B | -1.4587 | |
| 584 | R | B | -2.1646 | |
| 585 | L | B | 0.0000 | |
| 586 | L | B | 0.0000 | |
| 587 | P | B | -0.6715 | |
| 588 | V | B | -0.1812 | |
| 589 | L | B | 0.0000 | |
| 590 | C | B | -0.5433 | |
| 591 | Q | B | -1.1454 | |
| 592 | A | B | -0.5955 | |
| 593 | H | B | -0.8053 | |
| 594 | G | B | -0.8815 | |
| 595 | L | B | 0.0000 | |
| 596 | T | B | -1.0223 | |
| 597 | P | B | -1.2370 | |
| 598 | E | B | -1.9811 | |
| 599 | Q | B | -1.3138 | |
| 600 | V | B | 0.0000 | |
| 601 | V | B | 0.0000 | |
| 602 | A | B | -0.6348 | |
| 603 | I | B | 0.0000 | |
| 604 | A | B | 0.0000 | |
| 605 | S | B | -0.6165 | |
| 606 | N | B | -1.3923 | |
| 607 | G | B | -1.7119 | |
| 608 | G | B | -1.8266 | |
| 609 | G | B | 0.0000 | |
| 610 | K | B | -2.2795 | |
| 611 | Q | B | -2.5003 | |
| 612 | A | B | 0.0000 | |
| 613 | L | B | 0.0000 | |
| 614 | E | B | -2.7183 | |
| 615 | T | B | 0.0000 | |
| 616 | V | B | 0.0000 | |
| 617 | Q | B | -1.8149 | |
| 618 | R | B | -2.2444 | |
| 619 | L | B | -1.2360 | |
| 620 | L | B | 0.0000 | |
| 621 | P | B | -0.6125 | |
| 622 | V | B | -0.1168 | |
| 623 | L | B | 0.0000 | |
| 624 | C | B | -0.4802 | |
| 625 | Q | B | -1.0922 | |
| 626 | A | B | -0.5490 | |
| 627 | H | B | -0.7546 | |
| 628 | G | B | -0.8529 | |
| 629 | L | B | 0.0000 | |
| 630 | T | B | -0.9955 | |
| 631 | P | B | -1.2354 | |
| 632 | E | B | -1.9899 | |
| 633 | Q | B | -1.2660 | |
| 634 | V | B | 0.0000 | |
| 635 | V | B | 0.0000 | |
| 636 | A | B | -0.6734 | |
| 637 | I | B | 0.0000 | |
| 638 | A | B | 0.0000 | |
| 639 | S | B | -0.8983 | |
| 640 | H | B | -1.7479 | |
| 641 | D | B | -2.7494 | |
| 642 | G | B | -2.1575 | |
| 643 | G | B | 0.0000 | |
| 644 | K | B | -2.4636 | |
| 645 | Q | B | -2.0652 | |
| 646 | A | B | 0.0000 | |
| 647 | L | B | 0.0000 | |
| 648 | E | B | -2.1856 | |
| 649 | T | B | 0.0000 | |
| 650 | V | B | 0.0000 | |
| 651 | Q | B | -1.6979 | |
| 652 | R | B | -2.3394 | |
| 653 | L | B | -1.1080 | |
| 654 | L | B | 0.0000 | |
| 655 | P | B | -0.6750 | |
| 656 | V | B | -0.1416 | |
| 657 | L | B | 0.0000 | |
| 658 | C | B | -0.5661 | |
| 659 | Q | B | -1.1761 | |
| 660 | A | B | -0.5249 | |
| 661 | H | B | -0.7376 | |
| 662 | G | B | -1.0035 | |
| 663 | L | B | 0.0000 | |
| 664 | T | B | -0.8303 | |
| 665 | P | B | -0.9219 | |
| 666 | Q | B | -1.4025 | |
| 667 | Q | B | -1.0933 | |
| 668 | V | B | 0.0000 | |
| 669 | V | B | 0.0000 | |
| 670 | A | B | -0.3176 | |
| 671 | I | B | 0.0000 | |
| 672 | A | B | 0.0000 | |
| 673 | S | B | -0.7055 | |
| 674 | N | B | -1.0176 | |
| 675 | G | B | -1.6351 | |
| 676 | G | B | -1.7527 | |
| 677 | G | B | 0.0000 | |
| 678 | R | B | -1.9806 | |
| 679 | P | B | -1.5910 | |
| 680 | A | B | 0.0000 | |
| 681 | L | B | 0.0000 | |
| 682 | E | B | -1.7863 | |
| 683 | S | B | 0.0000 | |
| 684 | I | B | 0.0000 | |
| 685 | V | B | -0.4037 | |
| 686 | A | B | -0.9046 | |
| 687 | Q | B | -1.2390 | |
| 688 | L | B | -0.5903 | |
| 689 | S | B | -0.9718 | |
| 690 | R | B | -2.0081 | |
| 691 | P | B | -1.0204 | |
| 692 | D | B | -1.3071 | |
| 693 | P | B | -0.8262 | |
| 694 | A | B | 0.1963 | |
| 695 | L | B | 0.9216 | |
| 696 | A | B | 0.7152 | |
| 697 | A | B | 0.5666 | |
| 698 | L | B | 0.1833 | |
| 699 | T | B | -0.8207 | |
| 700 | N | B | -2.0074 | |
| 701 | D | B | -2.5257 | |
| 702 | H | B | -1.6540 | |
| 703 | L | B | 0.0000 | |
| 704 | V | B | 0.0000 | |
| 705 | A | B | -0.2964 | |
| 706 | L | B | 0.1766 | |
| 707 | A | B | 0.0000 | |
| 708 | C | B | 0.5027 | |
| 709 | L | B | 1.3607 | |
| 710 | G | B | -0.1453 | |
| 711 | G | B | 0.0000 | |
| 712 | R | B | -2.2213 | |
| 713 | P | B | -1.3330 | |
| 714 | A | B | -0.7701 | |
| 715 | L | B | 0.0000 | |
| 716 | D | B | -2.4442 | |
| 717 | A | B | -1.3545 | |
| 718 | V | B | -0.6120 | |
| 719 | K | B | -1.6652 | |
| 720 | K | B | -1.6362 | |
| 721 | L | B | 0.4128 | |
| 230 | M | E | 0.9006 | |
| 231 | Q | E | -0.1333 | |
| 232 | W | E | 0.5258 | |
| 233 | S | E | -0.1707 | |
| 234 | G | E | -0.6478 | |
| 235 | A | E | -0.9174 | |
| 236 | R | E | -1.9376 | |
| 237 | A | E | -0.9409 | |
| 238 | L | E | -0.1643 | |
| 239 | E | E | -1.2768 | |
| 240 | A | E | -0.4211 | |
| 241 | L | E | 0.6270 | |
| 242 | L | E | 1.0702 | |
| 243 | T | E | 0.2083 | |
| 244 | V | E | -0.4244 | |
| 245 | A | E | -0.2117 | |
| 246 | G | E | -0.9773 | |
| 247 | E | E | -1.4855 | |
| 248 | L | E | 0.0000 | |
| 249 | R | E | -2.5862 | |
| 250 | G | E | -1.7767 | |
| 251 | P | E | -1.2959 | |
| 252 | P | E | -1.2582 | |
| 253 | L | E | 0.0000 | |
| 254 | Q | E | -2.6219 | |
| 255 | L | E | 0.0000 | |
| 256 | D | E | -2.5212 | |
| 257 | T | E | -1.2538 | |
| 258 | G | E | -0.8010 | |
| 259 | Q | E | -1.7181 | |
| 260 | L | E | 0.0000 | |
| 261 | L | E | -0.4873 | |
| 262 | K | E | -2.3171 | |
| 263 | I | E | 0.0000 | |
| 264 | A | E | -1.1157 | |
| 265 | K | E | -2.7329 | |
| 266 | R | E | -3.2313 | |
| 267 | G | E | -2.0521 | |
| 268 | G | E | -1.0887 | |
| 269 | V | E | 0.6695 | |
| 270 | T | E | -0.2150 | |
| 271 | A | E | 0.0000 | |
| 272 | V | E | 0.0000 | |
| 273 | E | E | -1.3726 | |
| 274 | A | E | 0.0000 | |
| 275 | V | E | 0.0000 | |
| 276 | H | E | -1.1202 | |
| 277 | A | E | -0.7335 | |
| 278 | W | E | -0.6927 | |
| 279 | R | E | -1.1498 | |
| 280 | N | E | -1.5938 | |
| 281 | A | E | -0.9024 | |
| 282 | L | E | 0.0000 | |
| 283 | T | E | -1.1226 | |
| 284 | G | E | -1.1086 | |
| 285 | A | E | -0.7000 | |
| 286 | P | E | -0.6552 | |
| 287 | L | E | 0.0000 | |
| 288 | N | E | -1.5857 | |
| 289 | L | E | 0.0000 | |
| 290 | T | E | -1.0037 | |
| 291 | P | E | -1.4447 | |
| 292 | E | E | -2.0479 | |
| 293 | Q | E | -1.3408 | |
| 294 | V | E | 0.0000 | |
| 295 | V | E | -0.9366 | |
| 296 | A | E | -0.8029 | |
| 297 | I | E | 0.0000 | |
| 298 | A | E | 0.0000 | |
| 299 | S | E | -1.8555 | |
| 300 | H | E | -2.4859 | |
| 301 | D | E | -3.1114 | |
| 302 | G | E | -2.2801 | |
| 303 | G | E | 0.0000 | |
| 304 | K | E | -1.8591 | |
| 305 | Q | E | -2.2903 | |
| 306 | A | E | 0.0000 | |
| 307 | L | E | 0.0000 | |
| 308 | E | E | -1.9828 | |
| 309 | T | E | 0.0000 | |
| 310 | V | E | 0.0000 | |
| 311 | Q | E | -1.3084 | |
| 312 | R | E | -1.9861 | |
| 313 | L | E | -0.9744 | |
| 314 | L | E | 0.0000 | |
| 315 | P | E | -0.6466 | |
| 316 | V | E | -0.3495 | |
| 317 | L | E | 0.0000 | |
| 318 | C | E | -0.6823 | |
| 319 | Q | E | -1.2556 | |
| 320 | A | E | -0.9589 | |
| 321 | H | E | -0.8623 | |
| 322 | G | E | -0.8544 | |
| 323 | L | E | 0.0000 | |
| 324 | T | E | -0.8035 | |
| 325 | P | E | -0.9603 | |
| 326 | Q | E | -1.3689 | |
| 327 | Q | E | -1.0644 | |
| 328 | V | E | 0.0000 | |
| 329 | V | E | 0.0000 | |
| 330 | A | E | -0.5100 | |
| 331 | I | E | 0.0000 | |
| 332 | A | E | 0.0000 | |
| 333 | S | E | -0.7526 | |
| 334 | H | E | -1.4814 | |
| 335 | D | E | -2.1921 | |
| 336 | G | E | -2.0060 | |
| 337 | G | E | 0.0000 | |
| 338 | K | E | -2.2286 | |
| 339 | Q | E | -2.1432 | |
| 340 | A | E | 0.0000 | |
| 341 | L | E | 0.0000 | |
| 342 | E | E | -1.7074 | |
| 343 | T | E | 0.0000 | |
| 344 | V | E | 0.0000 | |
| 345 | Q | E | -0.7765 | |
| 346 | R | E | -1.1117 | |
| 347 | L | E | -0.7726 | |
| 348 | L | E | 0.0000 | |
| 349 | P | E | 0.0000 | |
| 350 | V | E | -0.2301 | |
| 351 | L | E | 0.0000 | |
| 352 | C | E | -0.5215 | |
| 353 | Q | E | -0.8088 | |
| 354 | A | E | -0.3907 | |
| 355 | H | E | -0.5983 | |
| 356 | G | E | -0.6910 | |
| 357 | L | E | 0.0000 | |
| 358 | T | E | -0.9363 | |
| 359 | P | E | -1.1752 | |
| 360 | E | E | -1.9987 | |
| 361 | Q | E | -1.4139 | |
| 362 | V | E | 0.0000 | |
| 363 | V | E | 0.0000 | |
| 364 | A | E | -0.6774 | |
| 365 | I | E | 0.0000 | |
| 366 | A | E | 0.0000 | |
| 367 | S | E | -0.6692 | |
| 368 | H | E | -1.3275 | |
| 369 | D | E | -1.9557 | |
| 370 | G | E | -1.8643 | |
| 371 | G | E | 0.0000 | |
| 372 | K | E | -2.1177 | |
| 373 | Q | E | -2.2263 | |
| 374 | A | E | 0.0000 | |
| 375 | L | E | 0.0000 | |
| 376 | E | E | -1.9082 | |
| 377 | T | E | 0.0000 | |
| 378 | V | E | 0.0000 | |
| 379 | Q | E | -0.8232 | |
| 380 | A | E | -0.2910 | |
| 381 | L | E | -0.2818 | |
| 382 | L | E | 0.0000 | |
| 383 | P | E | -0.0909 | |
| 384 | V | E | 0.3346 | |
| 385 | L | E | 0.0000 | |
| 386 | C | E | -0.3711 | |
| 387 | Q | E | -1.2393 | |
| 388 | A | E | -0.8712 | |
| 389 | H | E | -0.7151 | |
| 390 | G | E | -0.8280 | |
| 391 | L | E | 0.0000 | |
| 392 | T | E | -0.9135 | |
| 393 | P | E | -1.1641 | |
| 394 | E | E | -2.0001 | |
| 395 | Q | E | -1.2887 | |
| 396 | V | E | 0.0000 | |
| 397 | V | E | 0.0000 | |
| 398 | A | E | -0.6791 | |
| 399 | I | E | 0.0000 | |
| 400 | A | E | 0.0000 | |
| 401 | S | E | -0.4902 | |
| 402 | N | E | -0.9610 | |
| 403 | G | E | -1.4091 | |
| 404 | G | E | -1.5978 | |
| 405 | G | E | 0.0000 | |
| 406 | K | E | -2.1982 | |
| 407 | Q | E | -2.3119 | |
| 408 | A | E | 0.0000 | |
| 409 | L | E | 0.0000 | |
| 410 | E | E | -2.3544 | |
| 411 | T | E | 0.0000 | |
| 412 | V | E | 0.0000 | |
| 413 | Q | E | -1.4875 | |
| 414 | R | E | -2.1021 | |
| 415 | L | E | -1.1960 | |
| 416 | L | E | 0.0000 | |
| 417 | P | E | -0.5207 | |
| 418 | V | E | -0.0953 | |
| 419 | L | E | 0.0000 | |
| 420 | C | E | -0.7795 | |
| 421 | Q | E | -1.4757 | |
| 422 | A | E | -0.7113 | |
| 423 | H | E | -0.8299 | |
| 424 | G | E | -1.2048 | |
| 425 | L | E | 0.0000 | |
| 426 | T | E | -1.0339 | |
| 427 | P | E | -0.8636 | |
| 428 | Q | E | -1.3970 | |
| 429 | Q | E | -1.0115 | |
| 430 | V | E | 0.0000 | |
| 431 | V | E | 0.0000 | |
| 432 | A | E | -0.7588 | |
| 433 | I | E | 0.0000 | |
| 434 | A | E | 0.0000 | |
| 435 | S | E | -0.7340 | |
| 436 | N | E | -1.1546 | |
| 437 | G | E | -1.2558 | |
| 438 | G | E | -1.5937 | |
| 439 | G | E | 0.0000 | |
| 440 | K | E | -2.5640 | |
| 441 | Q | E | -2.5338 | |
| 442 | A | E | 0.0000 | |
| 443 | L | E | 0.0000 | |
| 444 | E | E | -2.9729 | |
| 445 | T | E | 0.0000 | |
| 446 | V | E | 0.0000 | |
| 447 | Q | E | -1.6503 | |
| 448 | R | E | -2.3257 | |
| 449 | L | E | -1.3667 | |
| 450 | L | E | 0.0000 | |
| 451 | P | E | -0.6592 | |
| 452 | V | E | -0.2912 | |
| 453 | L | E | 0.0000 | |
| 454 | C | E | -0.6976 | |
| 455 | Q | E | -1.1456 | |
| 456 | A | E | -0.6227 | |
| 457 | H | E | -0.7606 | |
| 458 | G | E | -0.8651 | |
| 459 | L | E | 0.0000 | |
| 460 | T | E | -0.8172 | |
| 461 | P | E | -0.8932 | |
| 462 | Q | E | -1.3686 | |
| 463 | Q | E | -1.0256 | |
| 464 | V | E | 0.0000 | |
| 465 | V | E | 0.0000 | |
| 466 | A | E | -1.0363 | |
| 467 | I | E | 0.0000 | |
| 468 | A | E | 0.0000 | |
| 469 | S | E | -1.4134 | |
| 470 | R | E | -2.3094 | |
| 471 | G | E | -2.1655 | |
| 472 | G | E | -2.2437 | |
| 473 | G | E | -2.2694 | |
| 474 | K | E | -2.6249 | |
| 475 | Q | E | -2.7109 | |
| 476 | A | E | 0.0000 | |
| 477 | L | E | 0.0000 | |
| 478 | E | E | -2.9410 | |
| 479 | T | E | 0.0000 | |
| 480 | V | E | 0.0000 | |
| 481 | Q | E | -1.7768 | |
| 482 | R | E | -2.4064 | |
| 483 | L | E | 0.0000 | |
| 484 | L | E | 0.0000 | |
| 485 | P | E | -0.5973 | |
| 486 | V | E | -0.2014 | |
| 487 | L | E | 0.0000 | |
| 488 | C | E | -0.5626 | |
| 489 | Q | E | -1.1343 | |
| 490 | A | E | -0.5909 | |
| 491 | H | E | -0.9262 | |
| 492 | G | E | -0.8541 | |
| 493 | L | E | 0.0000 | |
| 494 | T | E | -0.8259 | |
| 495 | P | E | -0.9552 | |
| 496 | Q | E | -1.3984 | |
| 497 | Q | E | -0.9837 | |
| 498 | V | E | 0.0000 | |
| 499 | V | E | 0.0000 | |
| 500 | A | E | -0.6818 | |
| 501 | I | E | 0.0000 | |
| 502 | A | E | 0.0000 | |
| 503 | S | E | -1.3256 | |
| 504 | N | E | -1.9601 | |
| 505 | N | E | -2.4704 | |
| 506 | G | E | -1.9199 | |
| 507 | G | E | 0.0000 | |
| 508 | K | E | -2.3390 | |
| 509 | Q | E | -2.0911 | |
| 510 | A | E | 0.0000 | |
| 511 | L | E | 0.0000 | |
| 512 | E | E | -1.6261 | |
| 513 | T | E | 0.0000 | |
| 514 | V | E | 0.0000 | |
| 515 | Q | E | -1.3257 | |
| 516 | R | E | -1.9323 | |
| 517 | L | E | -0.9758 | |
| 518 | L | E | 0.0000 | |
| 519 | P | E | -0.5304 | |
| 520 | V | E | 0.1306 | |
| 521 | L | E | 0.0000 | |
| 522 | C | E | -0.2813 | |
| 523 | Q | E | -0.9836 | |
| 524 | A | E | -0.7143 | |
| 525 | H | E | -1.1637 | |
| 526 | G | E | -0.7845 | |
| 527 | L | E | -0.6089 | |
| 528 | T | E | -0.6801 | |
| 529 | P | E | -0.8131 | |
| 530 | Q | E | -1.3648 | |
| 531 | Q | E | -0.9370 | |
| 532 | V | E | 0.0000 | |
| 533 | V | E | 0.0000 | |
| 534 | A | E | -0.5067 | |
| 535 | I | E | 0.0000 | |
| 536 | A | E | 0.0000 | |
| 537 | S | E | -0.7774 | |
| 538 | H | E | -1.3975 | |
| 539 | D | E | -1.9623 | |
| 540 | G | E | -1.8676 | |
| 541 | G | E | 0.0000 | |
| 542 | K | E | -2.1848 | |
| 543 | Q | E | -2.3982 | |
| 544 | A | E | 0.0000 | |
| 545 | L | E | 0.0000 | |
| 546 | E | E | -2.5722 | |
| 547 | T | E | 0.0000 | |
| 548 | V | E | 0.0000 | |
| 549 | Q | E | -1.5894 | |
| 550 | R | E | -2.2781 | |
| 551 | L | E | -1.2553 | |
| 552 | L | E | 0.0000 | |
| 553 | P | E | -0.6357 | |
| 554 | V | E | -0.0586 | |
| 555 | L | E | 0.0000 | |
| 556 | C | E | -0.6670 | |
| 557 | Q | E | -1.1243 | |
| 558 | A | E | -0.5598 | |
| 559 | H | E | -0.7666 | |
| 560 | G | E | -0.8805 | |
| 561 | L | E | 0.0000 | |
| 562 | T | E | -0.8375 | |
| 563 | P | E | -1.0389 | |
| 564 | Q | E | -1.3353 | |
| 565 | Q | E | -0.9881 | |
| 566 | V | E | 0.0000 | |
| 567 | V | E | 0.0000 | |
| 568 | A | E | -0.4572 | |
| 569 | I | E | 0.0000 | |
| 570 | A | E | 0.0000 | |
| 571 | S | E | -0.6793 | |
| 572 | N | E | -1.5064 | |
| 573 | N | E | -2.0974 | |
| 574 | G | E | -1.8663 | |
| 575 | G | E | 0.0000 | |
| 576 | K | E | -2.3873 | |
| 577 | Q | E | -2.3272 | |
| 578 | A | E | 0.0000 | |
| 579 | L | E | 0.0000 | |
| 580 | E | E | -2.1135 | |
| 581 | T | E | 0.0000 | |
| 582 | V | E | 0.0000 | |
| 583 | Q | E | -1.5151 | |
| 584 | R | E | -2.1440 | |
| 585 | L | E | -1.1734 | |
| 586 | L | E | 0.0000 | |
| 587 | P | E | -0.6411 | |
| 588 | V | E | -0.1668 | |
| 589 | L | E | 0.0000 | |
| 590 | C | E | -0.5096 | |
| 591 | Q | E | -1.1347 | |
| 592 | A | E | -0.5739 | |
| 593 | H | E | -0.7307 | |
| 594 | G | E | -0.8542 | |
| 595 | L | E | 0.0000 | |
| 596 | T | E | -1.0178 | |
| 597 | P | E | -1.2306 | |
| 598 | E | E | -1.9815 | |
| 599 | Q | E | -1.3105 | |
| 600 | V | E | 0.0000 | |
| 601 | V | E | 0.0000 | |
| 602 | A | E | -0.6396 | |
| 603 | I | E | 0.0000 | |
| 604 | A | E | 0.0000 | |
| 605 | S | E | -0.6187 | |
| 606 | N | E | -1.4612 | |
| 607 | G | E | -1.7357 | |
| 608 | G | E | -1.9034 | |
| 609 | G | E | 0.0000 | |
| 610 | K | E | -2.3102 | |
| 611 | Q | E | -2.5127 | |
| 612 | A | E | 0.0000 | |
| 613 | L | E | 0.0000 | |
| 614 | E | E | -2.6350 | |
| 615 | T | E | 0.0000 | |
| 616 | V | E | 0.0000 | |
| 617 | Q | E | -1.7162 | |
| 618 | R | E | -2.2243 | |
| 619 | L | E | -1.2327 | |
| 620 | L | E | 0.0000 | |
| 621 | P | E | -0.6180 | |
| 622 | V | E | -0.2670 | |
| 623 | L | E | 0.0000 | |
| 624 | C | E | -0.5547 | |
| 625 | Q | E | -1.1515 | |
| 626 | A | E | -0.5966 | |
| 627 | H | E | -0.7713 | |
| 628 | G | E | -0.8855 | |
| 629 | L | E | 0.0000 | |
| 630 | T | E | -1.0211 | |
| 631 | P | E | -1.2469 | |
| 632 | E | E | -2.0216 | |
| 633 | Q | E | -1.3309 | |
| 634 | V | E | 0.0000 | |
| 635 | V | E | 0.0000 | |
| 636 | A | E | -0.7043 | |
| 637 | I | E | 0.0000 | |
| 638 | A | E | 0.0000 | |
| 639 | S | E | -0.9014 | |
| 640 | H | E | -1.7531 | |
| 641 | D | E | -2.7263 | |
| 642 | G | E | -2.1266 | |
| 643 | G | E | 0.0000 | |
| 644 | K | E | -2.3727 | |
| 645 | Q | E | -2.0659 | |
| 646 | A | E | 0.0000 | |
| 647 | L | E | 0.0000 | |
| 648 | E | E | -2.1581 | |
| 649 | T | E | 0.0000 | |
| 650 | V | E | 0.0000 | |
| 651 | Q | E | -1.5993 | |
| 652 | R | E | -2.3153 | |
| 653 | L | E | -1.1412 | |
| 654 | L | E | 0.0000 | |
| 655 | P | E | -0.6380 | |
| 656 | V | E | -0.1476 | |
| 657 | L | E | 0.0000 | |
| 658 | C | E | -0.5309 | |
| 659 | Q | E | -1.1581 | |
| 660 | A | E | -0.5074 | |
| 661 | H | E | -0.6155 | |
| 662 | G | E | -0.9043 | |
| 663 | L | E | 0.0000 | |
| 664 | T | E | -0.7623 | |
| 665 | P | E | -0.9016 | |
| 666 | Q | E | -1.3827 | |
| 667 | Q | E | -1.0387 | |
| 668 | V | E | 0.0000 | |
| 669 | V | E | 0.0000 | |
| 670 | A | E | -0.4346 | |
| 671 | I | E | 0.0000 | |
| 672 | A | E | 0.0000 | |
| 673 | S | E | -0.7416 | |
| 674 | N | E | -1.1828 | |
| 675 | G | E | -1.6398 | |
| 676 | G | E | -1.7909 | |
| 677 | G | E | 0.0000 | |
| 678 | R | E | -2.2987 | |
| 679 | P | E | -1.8617 | |
| 680 | A | E | 0.0000 | |
| 681 | L | E | 0.0000 | |
| 682 | E | E | -2.3032 | |
| 683 | S | E | -1.6481 | |
| 684 | I | E | 0.0000 | |
| 685 | V | E | -0.5658 | |
| 686 | A | E | -0.9965 | |
| 687 | Q | E | -1.1534 | |
| 688 | L | E | -0.5144 | |
| 689 | S | E | -0.9724 | |
| 690 | R | E | -1.9738 | |
| 691 | P | E | -0.9515 | |
| 692 | D | E | -1.0353 | |
| 693 | P | E | -0.4688 | |
| 694 | A | E | 0.3490 | |
| 695 | L | E | 0.9490 | |
| 696 | A | E | 0.5825 | |
| 697 | A | E | 0.4947 | |
| 698 | L | E | 0.0000 | |
| 699 | T | E | -0.7088 | |
| 700 | N | E | -1.5450 | |
| 701 | D | E | -2.1473 | |
| 702 | H | E | -1.3672 | |
| 703 | L | E | 0.0000 | |
| 704 | V | E | 0.0000 | |
| 705 | A | E | -0.4215 | |
| 706 | L | E | 0.0000 | |
| 707 | A | E | 0.0000 | |
| 708 | C | E | -0.0332 | |
| 709 | L | E | 0.4959 | |
| 710 | G | E | -0.3508 | |
| 711 | G | E | 0.0000 | |
| 712 | R | E | -2.5138 | |
| 713 | P | E | -1.3872 | |
| 714 | A | E | 0.0000 | |
| 715 | L | E | 0.0000 | |
| 716 | D | E | -2.3592 | |
| 717 | A | E | -1.3117 | |
| 718 | V | E | -0.8130 | |
| 719 | K | E | -1.2971 | |
| 720 | K | E | -1.5100 | |
| 721 | L | E | 0.4454 | |
| 230 | M | H | 0.8391 | |
| 231 | Q | H | -0.3978 | |
| 232 | W | H | 0.2633 | |
| 233 | S | H | -0.3235 | |
| 234 | G | H | -0.5230 | |
| 235 | A | H | -1.0165 | |
| 236 | R | H | -2.0573 | |
| 237 | A | H | -0.9768 | |
| 238 | L | H | -0.0593 | |
| 239 | E | H | -1.2358 | |
| 240 | A | H | -0.4811 | |
| 241 | L | H | 0.5858 | |
| 242 | L | H | 1.1143 | |
| 243 | T | H | 0.1888 | |
| 244 | V | H | -0.4564 | |
| 245 | A | H | -0.1967 | |
| 246 | G | H | -0.9514 | |
| 247 | E | H | -1.4450 | |
| 248 | L | H | 0.0000 | |
| 249 | R | H | -2.4203 | |
| 250 | G | H | -1.5392 | |
| 251 | P | H | -1.2606 | |
| 252 | P | H | -1.2388 | |
| 253 | L | H | 0.0000 | |
| 254 | Q | H | -2.5411 | |
| 255 | L | H | 0.0000 | |
| 256 | D | H | -2.4037 | |
| 257 | T | H | -1.1760 | |
| 258 | G | H | -0.7114 | |
| 259 | Q | H | 0.0000 | |
| 260 | L | H | -0.7212 | |
| 261 | L | H | -0.5881 | |
| 262 | K | H | -2.3470 | |
| 263 | I | H | 0.0000 | |
| 264 | A | H | -1.3842 | |
| 265 | K | H | -2.9161 | |
| 266 | R | H | -3.4641 | |
| 267 | G | H | -2.3298 | |
| 268 | G | H | -1.5385 | |
| 269 | V | H | -0.1167 | |
| 270 | T | H | -0.6124 | |
| 271 | A | H | 0.0000 | |
| 272 | V | H | 0.0000 | |
| 273 | E | H | -1.6283 | |
| 274 | A | H | 0.0000 | |
| 275 | V | H | 0.0000 | |
| 276 | H | H | -1.1201 | |
| 277 | A | H | -0.7533 | |
| 278 | W | H | -0.7195 | |
| 279 | R | H | -1.1513 | |
| 280 | N | H | -1.5961 | |
| 281 | A | H | -0.8757 | |
| 282 | L | H | 0.0000 | |
| 283 | T | H | -1.0978 | |
| 284 | G | H | -1.0706 | |
| 285 | A | H | -0.6480 | |
| 286 | P | H | -0.5763 | |
| 287 | L | H | -0.8703 | |
| 288 | N | H | -1.5144 | |
| 289 | L | H | 0.0000 | |
| 290 | T | H | -1.0334 | |
| 291 | P | H | -1.4802 | |
| 292 | E | H | -2.0883 | |
| 293 | Q | H | -1.4163 | |
| 294 | V | H | 0.0000 | |
| 295 | V | H | 0.0000 | |
| 296 | A | H | -0.8584 | |
| 297 | I | H | 0.0000 | |
| 298 | A | H | 0.0000 | |
| 299 | S | H | -1.9315 | |
| 300 | H | H | -2.7230 | |
| 301 | D | H | -3.1130 | |
| 302 | G | H | -2.2499 | |
| 303 | G | H | 0.0000 | |
| 304 | K | H | -2.0774 | |
| 305 | Q | H | -2.2961 | |
| 306 | A | H | 0.0000 | |
| 307 | L | H | 0.0000 | |
| 308 | E | H | -2.1521 | |
| 309 | T | H | 0.0000 | |
| 310 | V | H | 0.0000 | |
| 311 | Q | H | -1.3165 | |
| 312 | R | H | -1.9663 | |
| 313 | L | H | -0.9312 | |
| 314 | L | H | 0.0000 | |
| 315 | P | H | -0.3563 | |
| 316 | V | H | 0.0860 | |
| 317 | L | H | 0.0000 | |
| 318 | C | H | -0.5702 | |
| 319 | Q | H | -1.0622 | |
| 320 | A | H | -0.4785 | |
| 321 | H | H | -0.6334 | |
| 322 | G | H | -0.8363 | |
| 323 | L | H | 0.0000 | |
| 324 | T | H | -0.7805 | |
| 325 | P | H | -0.9078 | |
| 326 | Q | H | -1.3430 | |
| 327 | Q | H | -1.0125 | |
| 328 | V | H | 0.0000 | |
| 329 | V | H | 0.0000 | |
| 330 | A | H | -0.4905 | |
| 331 | I | H | 0.0000 | |
| 332 | A | H | 0.0000 | |
| 333 | S | H | -0.7010 | |
| 334 | H | H | -1.3407 | |
| 335 | D | H | -2.0286 | |
| 336 | G | H | -1.8641 | |
| 337 | G | H | 0.0000 | |
| 338 | K | H | -2.1808 | |
| 339 | Q | H | -2.2027 | |
| 340 | A | H | 0.0000 | |
| 341 | L | H | 0.0000 | |
| 342 | E | H | -2.2573 | |
| 343 | T | H | 0.0000 | |
| 344 | V | H | 0.0000 | |
| 345 | Q | H | -1.4077 | |
| 346 | R | H | -2.0891 | |
| 347 | L | H | -1.2625 | |
| 348 | L | H | 0.0000 | |
| 349 | P | H | -0.4896 | |
| 350 | V | H | -0.0131 | |
| 351 | L | H | 0.0000 | |
| 352 | C | H | -0.7120 | |
| 353 | Q | H | -1.0781 | |
| 354 | A | H | -0.5167 | |
| 355 | H | H | -0.6816 | |
| 356 | G | H | -0.8588 | |
| 357 | L | H | 0.0000 | |
| 358 | T | H | -1.0196 | |
| 359 | P | H | -1.1923 | |
| 360 | E | H | -1.9620 | |
| 361 | Q | H | -1.3405 | |
| 362 | V | H | 0.0000 | |
| 363 | V | H | 0.0000 | |
| 364 | A | H | -0.6367 | |
| 365 | I | H | 0.0000 | |
| 366 | A | H | 0.0000 | |
| 367 | S | H | -0.6198 | |
| 368 | H | H | -1.2402 | |
| 369 | D | H | -1.7854 | |
| 370 | G | H | -1.8892 | |
| 371 | G | H | 0.0000 | |
| 372 | K | H | -2.4625 | |
| 373 | Q | H | -2.5024 | |
| 374 | A | H | 0.0000 | |
| 375 | L | H | 0.0000 | |
| 376 | E | H | -2.3581 | |
| 377 | T | H | 0.0000 | |
| 378 | V | H | 0.0000 | |
| 379 | Q | H | -0.7705 | |
| 380 | A | H | -0.3353 | |
| 381 | L | H | -0.4361 | |
| 382 | L | H | 0.0000 | |
| 383 | P | H | -0.1307 | |
| 384 | V | H | 0.3581 | |
| 385 | L | H | 0.0000 | |
| 386 | C | H | -0.4430 | |
| 387 | Q | H | -1.0339 | |
| 388 | A | H | -0.5103 | |
| 389 | H | H | -0.6618 | |
| 390 | G | H | -0.8105 | |
| 391 | L | H | 0.0000 | |
| 392 | T | H | -1.0011 | |
| 393 | P | H | -1.2145 | |
| 394 | E | H | -1.9836 | |
| 395 | Q | H | -1.2635 | |
| 396 | V | H | 0.0000 | |
| 397 | V | H | 0.0000 | |
| 398 | A | H | -0.6598 | |
| 399 | I | H | 0.0000 | |
| 400 | A | H | 0.0000 | |
| 401 | S | H | -0.4883 | |
| 402 | N | H | -0.9767 | |
| 403 | G | H | -1.3879 | |
| 404 | G | H | -1.5967 | |
| 405 | G | H | 0.0000 | |
| 406 | K | H | -2.4748 | |
| 407 | Q | H | -2.3739 | |
| 408 | A | H | 0.0000 | |
| 409 | L | H | 0.0000 | |
| 410 | E | H | -2.9839 | |
| 411 | T | H | 0.0000 | |
| 412 | V | H | 0.0000 | |
| 413 | Q | H | -1.8778 | |
| 414 | R | H | -2.4264 | |
| 415 | L | H | 0.0000 | |
| 416 | L | H | 0.0000 | |
| 417 | P | H | -0.6169 | |
| 418 | V | H | -0.4270 | |
| 419 | L | H | 0.0000 | |
| 420 | C | H | -0.5627 | |
| 421 | Q | H | -1.2923 | |
| 422 | A | H | -0.9245 | |
| 423 | H | H | -0.6990 | |
| 424 | G | H | -0.7513 | |
| 425 | L | H | 0.0000 | |
| 426 | T | H | -0.8254 | |
| 427 | P | H | -0.9122 | |
| 428 | Q | H | -1.3914 | |
| 429 | Q | H | -1.0245 | |
| 430 | V | H | 0.0000 | |
| 431 | V | H | 0.0000 | |
| 432 | A | H | -0.7688 | |
| 433 | I | H | 0.0000 | |
| 434 | A | H | 0.0000 | |
| 435 | S | H | -0.7567 | |
| 436 | N | H | -1.2597 | |
| 437 | G | H | -1.3070 | |
| 438 | G | H | -1.6028 | |
| 439 | G | H | 0.0000 | |
| 440 | K | H | -2.3312 | |
| 441 | Q | H | -2.1162 | |
| 442 | A | H | 0.0000 | |
| 443 | L | H | 0.0000 | |
| 444 | E | H | -2.2735 | |
| 445 | T | H | 0.0000 | |
| 446 | V | H | 0.0000 | |
| 447 | Q | H | -1.5477 | |
| 448 | R | H | -2.3826 | |
| 449 | L | H | 0.0000 | |
| 450 | L | H | 0.0000 | |
| 451 | P | H | -0.7751 | |
| 452 | V | H | 0.0000 | |
| 453 | L | H | 0.0000 | |
| 454 | C | H | -0.6595 | |
| 455 | Q | H | -0.8753 | |
| 456 | A | H | -0.5638 | |
| 457 | H | H | -0.6606 | |
| 458 | G | H | -0.7317 | |
| 459 | L | H | 0.0000 | |
| 460 | T | H | -0.7378 | |
| 461 | P | H | -0.8884 | |
| 462 | Q | H | -1.3792 | |
| 463 | Q | H | -1.0315 | |
| 464 | V | H | 0.0000 | |
| 465 | V | H | 0.0000 | |
| 466 | A | H | -1.0002 | |
| 467 | I | H | 0.0000 | |
| 468 | A | H | 0.0000 | |
| 469 | S | H | -1.3850 | |
| 470 | R | H | -2.3450 | |
| 471 | G | H | -2.2314 | |
| 472 | G | H | 0.0000 | |
| 473 | G | H | -2.1594 | |
| 474 | K | H | -2.3395 | |
| 475 | Q | H | -2.6185 | |
| 476 | A | H | 0.0000 | |
| 477 | L | H | 0.0000 | |
| 478 | E | H | -2.8109 | |
| 479 | T | H | 0.0000 | |
| 480 | V | H | 0.0000 | |
| 481 | Q | H | -1.7881 | |
| 482 | R | H | -2.3624 | |
| 483 | L | H | 0.0000 | |
| 484 | L | H | 0.0000 | |
| 485 | P | H | -0.6822 | |
| 486 | V | H | -0.2673 | |
| 487 | L | H | 0.0000 | |
| 488 | C | H | -0.5938 | |
| 489 | Q | H | -1.1609 | |
| 490 | A | H | -0.5972 | |
| 491 | H | H | -0.8864 | |
| 492 | G | H | -0.8502 | |
| 493 | L | H | 0.0000 | |
| 494 | T | H | -0.8234 | |
| 495 | P | H | -0.9633 | |
| 496 | Q | H | -1.3997 | |
| 497 | Q | H | -0.9813 | |
| 498 | V | H | 0.0000 | |
| 499 | V | H | 0.0000 | |
| 500 | A | H | -0.4810 | |
| 501 | I | H | 0.0000 | |
| 502 | A | H | 0.0000 | |
| 503 | S | H | 0.0000 | |
| 504 | N | H | -1.9798 | |
| 505 | N | H | -2.5329 | |
| 506 | G | H | -2.2496 | |
| 507 | G | H | 0.0000 | |
| 508 | K | H | -2.6031 | |
| 509 | Q | H | -2.5060 | |
| 510 | A | H | 0.0000 | |
| 511 | L | H | 0.0000 | |
| 512 | E | H | -2.5506 | |
| 513 | T | H | 0.0000 | |
| 514 | V | H | 0.0000 | |
| 515 | Q | H | -1.6627 | |
| 516 | R | H | -2.2353 | |
| 517 | L | H | 0.0000 | |
| 518 | L | H | 0.0000 | |
| 519 | P | H | -0.5131 | |
| 520 | V | H | -0.1432 | |
| 521 | L | H | 0.0000 | |
| 522 | C | H | -0.2294 | |
| 523 | Q | H | -0.9499 | |
| 524 | A | H | -0.7722 | |
| 525 | H | H | -1.1269 | |
| 526 | G | H | -0.8225 | |
| 527 | L | H | -0.5786 | |
| 528 | T | H | -0.6206 | |
| 529 | P | H | -0.7630 | |
| 530 | Q | H | -1.3387 | |
| 531 | Q | H | -0.8875 | |
| 532 | V | H | 0.0000 | |
| 533 | V | H | 0.0000 | |
| 534 | A | H | -0.4831 | |
| 535 | I | H | 0.0000 | |
| 536 | A | H | 0.0000 | |
| 537 | S | H | -0.7454 | |
| 538 | H | H | -1.3309 | |
| 539 | D | H | -1.9825 | |
| 540 | G | H | -1.8963 | |
| 541 | G | H | 0.0000 | |
| 542 | K | H | -2.3031 | |
| 543 | Q | H | -2.2817 | |
| 544 | A | H | 0.0000 | |
| 545 | L | H | 0.0000 | |
| 546 | E | H | -2.1038 | |
| 547 | T | H | 0.0000 | |
| 548 | V | H | 0.0000 | |
| 549 | Q | H | -1.4112 | |
| 550 | R | H | -2.0883 | |
| 551 | L | H | -1.2003 | |
| 552 | L | H | 0.0000 | |
| 553 | P | H | -0.6699 | |
| 554 | V | H | -0.0267 | |
| 555 | L | H | 0.0000 | |
| 556 | C | H | -0.6607 | |
| 557 | Q | H | -1.1098 | |
| 558 | A | H | -0.5450 | |
| 559 | H | H | -0.7574 | |
| 560 | G | H | -0.8763 | |
| 561 | L | H | 0.0000 | |
| 562 | T | H | -0.8284 | |
| 563 | P | H | -1.0354 | |
| 564 | Q | H | -1.3240 | |
| 565 | Q | H | -0.9893 | |
| 566 | V | H | 0.0000 | |
| 567 | V | H | 0.0000 | |
| 568 | A | H | -0.4410 | |
| 569 | I | H | 0.0000 | |
| 570 | A | H | 0.0000 | |
| 571 | S | H | -0.6071 | |
| 572 | N | H | -1.3351 | |
| 573 | N | H | -1.7704 | |
| 574 | G | H | -1.7167 | |
| 575 | G | H | 0.0000 | |
| 576 | K | H | -2.3871 | |
| 577 | Q | H | -2.3513 | |
| 578 | A | H | 0.0000 | |
| 579 | L | H | 0.0000 | |
| 580 | E | H | -2.4574 | |
| 581 | T | H | 0.0000 | |
| 582 | V | H | 0.0000 | |
| 583 | Q | H | -1.6115 | |
| 584 | R | H | -2.2823 | |
| 585 | L | H | 0.0000 | |
| 586 | L | H | 0.0000 | |
| 587 | P | H | -0.7667 | |
| 588 | V | H | -0.3199 | |
| 589 | L | H | 0.0000 | |
| 590 | C | H | -0.6518 | |
| 591 | Q | H | -1.2108 | |
| 592 | A | H | -0.6435 | |
| 593 | H | H | -0.8073 | |
| 594 | G | H | -0.9157 | |
| 595 | L | H | 0.0000 | |
| 596 | T | H | -1.0451 | |
| 597 | P | H | -1.2521 | |
| 598 | E | H | -1.9824 | |
| 599 | Q | H | -1.3235 | |
| 600 | V | H | 0.0000 | |
| 601 | V | H | 0.0000 | |
| 602 | A | H | -0.6342 | |
| 603 | I | H | 0.0000 | |
| 604 | A | H | 0.0000 | |
| 605 | S | H | -0.6223 | |
| 606 | N | H | -1.4024 | |
| 607 | G | H | -1.6512 | |
| 608 | G | H | -1.8565 | |
| 609 | G | H | 0.0000 | |
| 610 | K | H | -2.3956 | |
| 611 | Q | H | -2.5176 | |
| 612 | A | H | 0.0000 | |
| 613 | L | H | 0.0000 | |
| 614 | E | H | -2.6275 | |
| 615 | T | H | 0.0000 | |
| 616 | V | H | 0.0000 | |
| 617 | Q | H | -1.7461 | |
| 618 | R | H | -2.2686 | |
| 619 | L | H | 0.0000 | |
| 620 | L | H | 0.0000 | |
| 621 | P | H | -0.6355 | |
| 622 | V | H | -0.2481 | |
| 623 | L | H | 0.0000 | |
| 624 | C | H | -0.5528 | |
| 625 | Q | H | -1.1334 | |
| 626 | A | H | -0.5787 | |
| 627 | H | H | -0.7743 | |
| 628 | G | H | -0.8862 | |
| 629 | L | H | 0.0000 | |
| 630 | T | H | -1.0010 | |
| 631 | P | H | -1.2216 | |
| 632 | E | H | -1.9886 | |
| 633 | Q | H | -1.2667 | |
| 634 | V | H | 0.0000 | |
| 635 | V | H | 0.0000 | |
| 636 | A | H | -0.6720 | |
| 637 | I | H | 0.0000 | |
| 638 | A | H | 0.0000 | |
| 639 | S | H | -0.9037 | |
| 640 | H | H | -1.7620 | |
| 641 | D | H | -2.7872 | |
| 642 | G | H | -2.1957 | |
| 643 | G | H | 0.0000 | |
| 644 | K | H | -2.4365 | |
| 645 | Q | H | -2.0059 | |
| 646 | A | H | 0.0000 | |
| 647 | L | H | 0.0000 | |
| 648 | E | H | -1.9978 | |
| 649 | T | H | 0.0000 | |
| 650 | V | H | 0.0000 | |
| 651 | Q | H | -1.5725 | |
| 652 | R | H | -2.2730 | |
| 653 | L | H | -1.0595 | |
| 654 | L | H | 0.0000 | |
| 655 | P | H | -0.6463 | |
| 656 | V | H | -0.1365 | |
| 657 | L | H | 0.0000 | |
| 658 | C | H | -0.5788 | |
| 659 | Q | H | -1.1802 | |
| 660 | A | H | -0.5345 | |
| 661 | H | H | -0.6980 | |
| 662 | G | H | -0.9569 | |
| 663 | L | H | 0.0000 | |
| 664 | T | H | -0.8414 | |
| 665 | P | H | -0.9529 | |
| 666 | Q | H | -1.4185 | |
| 667 | Q | H | -1.1014 | |
| 668 | V | H | 0.0000 | |
| 669 | V | H | 0.0000 | |
| 670 | A | H | -0.3294 | |
| 671 | I | H | 0.0000 | |
| 672 | A | H | 0.0000 | |
| 673 | S | H | -0.6736 | |
| 674 | N | H | -1.0026 | |
| 675 | G | H | -1.6248 | |
| 676 | G | H | -1.7077 | |
| 677 | G | H | 0.0000 | |
| 678 | R | H | -1.7647 | |
| 679 | P | H | -1.5663 | |
| 680 | A | H | 0.0000 | |
| 681 | L | H | 0.0000 | |
| 682 | E | H | -1.9925 | |
| 683 | S | H | -1.3406 | |
| 684 | I | H | 0.0000 | |
| 685 | V | H | -0.5023 | |
| 686 | A | H | -0.9677 | |
| 687 | Q | H | -1.0449 | |
| 688 | L | H | -0.4778 | |
| 689 | S | H | -0.9600 | |
| 690 | R | H | -1.9551 | |
| 691 | P | H | -0.9128 | |
| 692 | D | H | -1.3055 | |
| 693 | P | H | -0.5344 | |
| 694 | A | H | 0.4781 | |
| 695 | L | H | 1.0440 | |
| 696 | A | H | 0.7871 | |
| 697 | A | H | 0.6123 | |
| 698 | L | H | 0.3200 | |
| 699 | T | H | -0.6298 | |
| 700 | N | H | -1.5607 | |
| 701 | D | H | -2.3105 | |
| 702 | H | H | -1.5221 | |
| 703 | L | H | 0.0000 | |
| 704 | V | H | 0.0000 | |
| 705 | A | H | -0.2551 | |
| 706 | L | H | 0.2403 | |
| 707 | A | H | 0.0000 | |
| 708 | C | H | 0.4700 | |
| 709 | L | H | 1.3064 | |
| 710 | G | H | -0.1599 | |
| 711 | G | H | 0.0000 | |
| 712 | R | H | -2.0206 | |
| 713 | P | H | -1.1147 | |
| 714 | A | H | -0.4081 | |
| 715 | L | H | 0.0000 | |
| 716 | D | H | -1.3735 | |
| 717 | A | H | -0.6017 | |
| 718 | V | H | 0.3039 | |
| 719 | K | H | -0.6597 | |
| 720 | K | H | -1.2107 | |
| 721 | L | H | 0.7204 |
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 globular. Max score is recommended for pH analysis.
pH |
Average A4D Score |
Max A4D Score |
|||
| 4.0 | -0.4451 | 2.9898 | View | CSV | PDB |
| 4.5 | -0.4835 | 2.9501 | View | CSV | PDB |
| 5.0 | -0.5306 | 2.9325 | View | CSV | PDB |
| 5.5 | -0.5773 | 2.9325 | View | CSV | PDB |
| 6.0 | -0.6151 | 2.9325 | View | CSV | PDB |
| 6.5 | -0.6377 | 2.9325 | View | CSV | PDB |
| 7.0 | -0.6447 | 2.9325 | View | CSV | PDB |
| 7.5 | -0.6411 | 2.9325 | View | CSV | PDB |
| 8.0 | -0.6319 | 2.9325 | View | CSV | PDB |
| 8.5 | -0.6187 | 2.9325 | View | CSV | PDB |
| 9.0 | -0.6014 | 2.9325 | 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