| Chain sequence(s) |
A: MQWSGARALEALLTVAGELRGPPLQLDTGQLLKIAKRGGVTAVEAVHAWRNALTGAPLNLTPEQVVAIASHDGGKQALETVQRLLPVLCQAHGLTPQQVVAIASHDGGKQALETVQRLLPVLCQAHGLTPEQVVAIASHDGGKQALETVQALLPVLCQAHGLTPEQVVAIASNGGGKQALETVQRLLPVLCQAHGLTPQQVVAIASNGGGKQALETVQRLLPVLCQAHGLTPQQVVAIASRGGGKQALETVQRLLPVLCQAHGLTPQQVVAIASNNGGKQALETVQRLLPVLCQAHGLTPQQVVAIASHDGGKQALETVQRLLPVLCQAHGLTPQQVVAIASNNGGKQALETVQRLLPVLCQAHGLTPEQVVAIASNGGGKQALETVQRLLPVLCQAHGLTPEQVVAIASHDGGKQALETVQRLLPVLCQAHGLTPQQVVAIASNGGGRPALESIVAQLSRPDPALAALTNDHLVALACLGGRPALDAVKKLEHHHH
H: MQWSGARALEALLTVAGELRGPPLQLDTGQLLKIAKRGGVTAVEAVHAWRNALTGAPLNLTPEQVVAIASHDGGKQALETVQRLLPVLCQAHGLTPQQVVAIASHDGGKQALETVQRLLPVLCQAHGLTPEQVVAIASHDGGKQALETVQALLPVLCQAHGLTPEQVVAIASNGGGKQALETVQRLLPVLCQAHGLTPQQVVAIASNGGGKQALETVQRLLPVLCQAHGLTPQQVVAIASRGGGKQALETVQRLLPVLCQAHGLTPQQVVAIASNNGGKQALETVQRLLPVLCQAHGLTPQQVVAIASHDGGKQALETVQRLLPVLCQAHGLTPQQVVAIASNNGGKQALETVQRLLPVLCQAHGLTPEQVVAIASNGGGKQALETVQRLLPVLCQAHGLTPEQVVAIASHDGGKQALETVQRLLPVLCQAHGLTPQQVVAIASNGGGRPALESIVAQLSRPDPALAALTNDHLVALACLGGRPALDAVKKLEHHHH B: MQWSGARALEALLTVAGELRGPPLQLDTGQLLKIAKRGGVTAVEAVHAWRNALTGAPLNLTPEQVVAIASHDGGKQALETVQRLLPVLCQAHGLTPQQVVAIASHDGGKQALETVQRLLPVLCQAHGLTPEQVVAIASHDGGKQALETVQALLPVLCQAHGLTPEQVVAIASNGGGKQALETVQRLLPVLCQAHGLTPQQVVAIASNGGGKQALETVQRLLPVLCQAHGLTPQQVVAIASRGGGKQALETVQRLLPVLCQAHGLTPQQVVAIASNNGGKQALETVQRLLPVLCQAHGLTPQQVVAIASHDGGKQALETVQRLLPVLCQAHGLTPQQVVAIASNNGGKQALETVQRLLPVLCQAHGLTPEQVVAIASNGGGKQALETVQRLLPVLCQAHGLTPEQVVAIASHDGGKQALETVQRLLPVLCQAHGLTPQQVVAIASNGGGRPALESIVAQLSRPDPALAALTNDHLVALACLGGRPALDAVKKLEHHHH E: MQWSGARALEALLTVAGELRGPPLQLDTGQLLKIAKRGGVTAVEAVHAWRNALTGAPLNLTPEQVVAIASHDGGKQALETVQRLLPVLCQAHGLTPQQVVAIASHDGGKQALETVQRLLPVLCQAHGLTPEQVVAIASHDGGKQALETVQALLPVLCQAHGLTPEQVVAIASNGGGKQALETVQRLLPVLCQAHGLTPQQVVAIASNGGGKQALETVQRLLPVLCQAHGLTPQQVVAIASRGGGKQALETVQRLLPVLCQAHGLTPQQVVAIASNNGGKQALETVQRLLPVLCQAHGLTPQQVVAIASHDGGKQALETVQRLLPVLCQAHGLTPQQVVAIASNNGGKQALETVQRLLPVLCQAHGLTPEQVVAIASNGGGKQALETVQRLLPVLCQAHGLTPEQVVAIASHDGGKQALETVQRLLPVLCQAHGLTPQQVVAIASNGGGRPALESIVAQLSRPDPALAALTNDHLVALACLGGRPALDAVKKLEHHHH 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 |
| Mutated residues | RN470A,GH471A,NG505A,GI403A,NN402A,DH539A,HN368A,DI369A,GH437A,HN300A,DI301A,GH675A,DG641A,DG335A,HN334A,HN538A,NI573A,HN640A,GD607A,NH606A |
| Energy difference between WT (input) and mutated protein (by FoldX) | 4.80131 kcal/mol
CAUTION: Your mutation/s can destabilize the protein structure |
| Downloads | Download all the data |
| Simulation log |
[INFO] Logger: Verbosity set to: 2 - [INFO] (00:00:03)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:03)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with all chain(s) selected (00:00:03)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:03)
[INFO] PDB-Info: The input structure is globular. Max score is recommended for pH analysis. (00:00:14)
[INFO] FoldX: Starting FoldX energy minimization (00:00:14)
[INFO] FoldX: Building mutant model (00:50:59)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:58:13)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/d11179aa94306a1/tmp/folded.pdb (00:58:13)
[INFO] Main: Simulation completed successfully. (01:24:41)
|
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 | 0.8529 | |
| 231 | Q | A | -0.2243 | |
| 232 | W | A | 0.6383 | |
| 233 | S | A | 0.0447 | |
| 234 | G | A | -0.5534 | |
| 235 | A | A | -0.7663 | |
| 236 | R | A | -1.9315 | |
| 237 | A | A | -0.9427 | |
| 238 | L | A | 0.4406 | |
| 239 | E | A | -0.9413 | |
| 240 | A | A | -0.0230 | |
| 241 | L | A | 0.6717 | |
| 242 | L | A | 1.1885 | |
| 243 | T | A | 0.2217 | |
| 244 | V | A | -0.5161 | |
| 245 | A | A | -0.0984 | |
| 246 | G | A | -1.0833 | |
| 247 | E | A | -1.6779 | |
| 248 | L | A | 0.0000 | |
| 249 | R | A | -2.7278 | |
| 250 | G | A | -1.9031 | |
| 251 | P | A | -1.3617 | |
| 252 | P | A | -1.3044 | |
| 253 | L | A | 0.0000 | |
| 254 | Q | A | -2.6523 | |
| 255 | L | A | 0.0000 | |
| 256 | D | A | -2.5074 | |
| 257 | T | A | -1.2014 | |
| 258 | G | A | -0.8299 | |
| 259 | Q | A | 0.0000 | |
| 260 | L | A | -0.9376 | |
| 261 | L | A | -0.9866 | |
| 262 | K | A | -2.3195 | |
| 263 | I | A | 0.0000 | |
| 264 | A | A | -1.5435 | |
| 265 | K | A | -2.5793 | |
| 266 | R | A | -2.3630 | |
| 267 | G | A | -1.2004 | |
| 268 | G | A | -0.8591 | |
| 269 | V | A | -0.2946 | |
| 270 | T | A | -0.6106 | |
| 271 | A | A | 0.0000 | |
| 272 | V | A | 0.0000 | |
| 273 | E | A | -1.3785 | |
| 274 | A | A | 0.0000 | |
| 275 | V | A | 0.0000 | |
| 276 | H | A | -1.0934 | |
| 277 | A | A | -0.5812 | |
| 278 | W | A | -0.6734 | |
| 279 | R | A | -1.0173 | |
| 280 | N | A | -1.5416 | |
| 281 | A | A | -0.8789 | |
| 282 | L | A | 0.0000 | |
| 283 | T | A | -1.0938 | |
| 284 | G | A | -1.0662 | |
| 285 | A | A | -0.7116 | |
| 286 | P | A | -0.6545 | |
| 287 | L | A | 0.0000 | |
| 288 | N | A | -1.5911 | |
| 289 | L | A | 0.0000 | |
| 290 | T | A | -1.0423 | |
| 291 | P | A | -1.4717 | |
| 292 | E | A | -2.0739 | |
| 293 | Q | A | -1.3791 | |
| 294 | V | A | 0.0000 | |
| 295 | V | A | 0.0000 | |
| 296 | A | A | -0.7741 | |
| 297 | I | A | 0.0000 | |
| 298 | A | A | 0.0000 | |
| 299 | S | A | -1.0436 | |
| 300 | N | A | 0.0000 | mutated: HN300A |
| 301 | I | A | 0.8667 | mutated: DI301A |
| 302 | G | A | -0.1874 | |
| 303 | G | A | 0.0000 | |
| 304 | K | A | -1.4030 | |
| 305 | Q | A | -1.5870 | |
| 306 | A | A | 0.0000 | |
| 307 | L | A | 0.0000 | |
| 308 | E | A | -2.2296 | |
| 309 | T | A | 0.0000 | |
| 310 | V | A | 0.0000 | |
| 311 | Q | A | -1.4051 | |
| 312 | R | A | -2.0728 | |
| 313 | L | A | -1.1773 | |
| 314 | L | A | 0.0000 | |
| 315 | P | A | -0.5232 | |
| 316 | V | A | -0.3854 | |
| 317 | L | A | 0.0000 | |
| 318 | C | A | -0.6825 | |
| 319 | Q | A | -1.2642 | |
| 320 | A | A | -0.9850 | |
| 321 | H | A | -0.8360 | |
| 322 | G | A | -0.9739 | |
| 323 | L | A | 0.0000 | |
| 324 | T | A | -0.8393 | |
| 325 | P | A | -1.1285 | |
| 326 | Q | A | -1.3850 | |
| 327 | Q | A | -1.0782 | |
| 328 | V | A | 0.0000 | |
| 329 | V | A | 0.0000 | |
| 330 | A | A | -0.5112 | |
| 331 | I | A | 0.0000 | |
| 332 | A | A | 0.0000 | |
| 333 | S | A | 0.0635 | |
| 334 | N | A | 0.2331 | mutated: HN334A |
| 335 | G | A | 0.3265 | mutated: DG335A |
| 336 | G | A | -0.2577 | |
| 337 | G | A | 0.0000 | |
| 338 | K | A | -2.2047 | |
| 339 | Q | A | -2.0871 | |
| 340 | A | A | 0.0000 | |
| 341 | L | A | 0.0000 | |
| 342 | E | A | -2.9369 | |
| 343 | T | A | 0.0000 | |
| 344 | V | A | 0.0000 | |
| 345 | Q | A | -1.8806 | |
| 346 | R | A | -2.6010 | |
| 347 | L | A | -1.5442 | |
| 348 | L | A | 0.0000 | |
| 349 | P | A | -0.7881 | |
| 350 | V | A | -0.3452 | |
| 351 | L | A | 0.0000 | |
| 352 | C | A | -0.8053 | |
| 353 | Q | A | -1.3746 | |
| 354 | A | A | -0.5911 | |
| 355 | H | A | -0.7283 | |
| 356 | G | A | -0.9186 | |
| 357 | L | A | 0.0000 | |
| 358 | T | A | -1.0306 | |
| 359 | P | A | -1.3088 | |
| 360 | E | A | -1.9877 | |
| 361 | Q | A | -1.3853 | |
| 362 | V | A | 0.0000 | |
| 363 | V | A | 0.0000 | |
| 364 | A | A | -0.6432 | |
| 365 | I | A | 0.0000 | |
| 366 | A | A | 0.0000 | |
| 367 | S | A | 0.0462 | |
| 368 | N | A | 0.4073 | mutated: HN368A |
| 369 | I | A | 1.0406 | mutated: DI369A |
| 370 | G | A | -0.1754 | |
| 371 | G | A | 0.0000 | |
| 372 | K | A | -2.2148 | |
| 373 | Q | A | -2.0699 | |
| 374 | A | A | 0.0000 | |
| 375 | L | A | 0.0000 | |
| 376 | E | A | -2.7157 | |
| 377 | T | A | 0.0000 | |
| 378 | V | A | 0.0000 | |
| 379 | Q | A | -0.9051 | |
| 380 | A | A | -0.3954 | |
| 381 | L | A | -0.1775 | |
| 382 | L | A | 0.0000 | |
| 383 | P | A | -0.0944 | |
| 384 | V | A | 0.4270 | |
| 385 | L | A | 0.0000 | |
| 386 | C | A | -0.4344 | |
| 387 | Q | A | -1.0619 | |
| 388 | A | A | -0.4965 | |
| 389 | H | A | -0.6366 | |
| 390 | G | A | -0.8246 | |
| 391 | L | A | 0.0000 | |
| 392 | T | A | -0.9920 | |
| 393 | P | A | -1.1933 | |
| 394 | E | A | -1.9693 | |
| 395 | Q | A | -1.2236 | |
| 396 | V | A | 0.0000 | |
| 397 | V | A | 0.0000 | |
| 398 | A | A | -0.6421 | |
| 399 | I | A | 0.0000 | |
| 400 | A | A | 0.0000 | |
| 401 | S | A | -0.2619 | |
| 402 | N | A | -0.1246 | mutated: NN402A |
| 403 | I | A | 0.4689 | mutated: GI403A |
| 404 | G | A | -0.5508 | |
| 405 | G | A | 0.0000 | |
| 406 | K | A | -2.1685 | |
| 407 | Q | A | -2.0531 | |
| 408 | A | A | 0.0000 | |
| 409 | L | A | 0.0000 | |
| 410 | E | A | -2.0921 | |
| 411 | T | A | 0.0000 | |
| 412 | V | A | 0.0000 | |
| 413 | Q | A | -1.3306 | |
| 414 | R | A | -2.1810 | |
| 415 | L | A | -1.1019 | |
| 416 | L | A | 0.0000 | |
| 417 | P | A | -0.4337 | |
| 418 | V | A | 0.0636 | |
| 419 | L | A | 0.0000 | |
| 420 | C | A | -0.4884 | |
| 421 | Q | A | -1.1427 | |
| 422 | A | A | -0.5652 | |
| 423 | H | A | -0.7127 | |
| 424 | G | A | -0.8612 | |
| 425 | L | A | 0.0000 | |
| 426 | T | A | -0.8159 | |
| 427 | P | A | -1.0171 | |
| 428 | Q | A | -1.3552 | |
| 429 | Q | A | -0.9362 | |
| 430 | V | A | 0.0000 | |
| 431 | V | A | 0.0000 | |
| 432 | A | A | -0.6118 | |
| 433 | I | A | 0.0000 | |
| 434 | A | A | 0.0000 | |
| 435 | S | A | -0.6742 | |
| 436 | N | A | -1.1678 | |
| 437 | H | A | -1.4290 | mutated: GH437A |
| 438 | G | A | -1.5554 | |
| 439 | G | A | 0.0000 | |
| 440 | K | A | -2.4394 | |
| 441 | Q | A | -2.3499 | |
| 442 | A | A | 0.0000 | |
| 443 | L | A | 0.0000 | |
| 444 | E | A | -3.0962 | |
| 445 | T | A | 0.0000 | |
| 446 | V | A | 0.0000 | |
| 447 | Q | A | -1.6543 | |
| 448 | R | A | -2.3301 | |
| 449 | L | A | -1.2176 | |
| 450 | L | A | 0.0000 | |
| 451 | P | A | -0.6028 | |
| 452 | V | A | -0.1736 | |
| 453 | L | A | 0.0000 | |
| 454 | C | A | -0.6683 | |
| 455 | Q | A | -1.1466 | |
| 456 | A | A | -0.5937 | |
| 457 | H | A | -0.7383 | |
| 458 | G | A | -0.8436 | |
| 459 | L | A | 0.0000 | |
| 460 | T | A | -0.8487 | |
| 461 | P | A | -0.9386 | |
| 462 | Q | A | -1.3932 | |
| 463 | Q | A | -1.0530 | |
| 464 | V | A | 0.0000 | |
| 465 | V | A | 0.0000 | |
| 466 | A | A | -0.9326 | |
| 467 | I | A | 0.0000 | |
| 468 | A | A | 0.0000 | |
| 469 | S | A | -1.1697 | |
| 470 | N | A | -1.6607 | mutated: RN470A |
| 471 | H | A | -2.2276 | mutated: GH471A |
| 472 | G | A | 0.0000 | |
| 473 | G | A | -2.1730 | |
| 474 | K | A | -2.3620 | |
| 475 | Q | A | -2.3218 | |
| 476 | A | A | 0.0000 | |
| 477 | L | A | 0.0000 | |
| 478 | E | A | -2.2337 | |
| 479 | T | A | 0.0000 | |
| 480 | V | A | 0.0000 | |
| 481 | Q | A | -1.5405 | |
| 482 | R | A | -2.2431 | |
| 483 | L | A | 0.0000 | |
| 484 | L | A | 0.0000 | |
| 485 | P | A | -0.6941 | |
| 486 | V | A | -0.2740 | |
| 487 | L | A | 0.0000 | |
| 488 | C | A | -0.7045 | |
| 489 | Q | A | -1.1683 | |
| 490 | A | A | -0.6146 | |
| 491 | H | A | -0.9530 | |
| 492 | G | A | -0.8680 | |
| 493 | L | A | 0.0000 | |
| 494 | T | A | -0.8096 | |
| 495 | P | A | -0.9268 | |
| 496 | Q | A | -1.3790 | |
| 497 | Q | A | -1.0017 | |
| 498 | V | A | 0.0000 | |
| 499 | V | A | 0.0000 | |
| 500 | A | A | -0.6091 | |
| 501 | I | A | 0.0000 | |
| 502 | A | A | 0.0000 | |
| 503 | S | A | -1.0508 | |
| 504 | N | A | -1.5333 | |
| 505 | G | A | 0.0000 | mutated: NG505A |
| 506 | G | A | -1.5191 | |
| 507 | G | A | 0.0000 | |
| 508 | K | A | -2.0811 | |
| 509 | Q | A | -2.1524 | |
| 510 | A | A | 0.0000 | |
| 511 | L | A | 0.0000 | |
| 512 | E | A | -2.3032 | |
| 513 | T | A | 0.0000 | |
| 514 | V | A | 0.0000 | |
| 515 | Q | A | -1.6830 | |
| 516 | R | A | -2.2319 | |
| 517 | L | A | 0.0000 | |
| 518 | L | A | 0.0000 | |
| 519 | P | A | -0.7488 | |
| 520 | V | A | -0.0960 | |
| 521 | L | A | 0.0000 | |
| 522 | C | A | 0.0000 | |
| 523 | Q | A | -1.1723 | |
| 524 | A | A | -0.5763 | |
| 525 | H | A | -0.9003 | |
| 526 | G | A | -1.0309 | |
| 527 | L | A | 0.0000 | |
| 528 | T | A | -0.8792 | |
| 529 | P | A | -1.0374 | |
| 530 | Q | A | -1.3652 | |
| 531 | Q | A | -0.9871 | |
| 532 | V | A | 0.0000 | |
| 533 | V | A | 0.0000 | |
| 534 | A | A | -0.4967 | |
| 535 | I | A | 0.0000 | |
| 536 | A | A | 0.0000 | |
| 537 | S | A | -0.3697 | |
| 538 | N | A | -0.4871 | mutated: HN538A |
| 539 | H | A | -1.1729 | mutated: DH539A |
| 540 | G | A | -1.1055 | |
| 541 | G | A | 0.0000 | |
| 542 | K | A | -2.2755 | |
| 543 | Q | A | -2.1573 | |
| 544 | A | A | 0.0000 | |
| 545 | L | A | 0.0000 | |
| 546 | E | A | -2.3881 | |
| 547 | T | A | 0.0000 | |
| 548 | V | A | 0.0000 | |
| 549 | Q | A | -1.5204 | |
| 550 | R | A | -2.2457 | |
| 551 | L | A | 0.0000 | |
| 552 | L | A | 0.0000 | |
| 553 | P | A | -0.6959 | |
| 554 | V | A | -0.0964 | |
| 555 | L | A | 0.0000 | |
| 556 | C | A | -0.6836 | |
| 557 | Q | A | -1.1121 | |
| 558 | A | A | -0.5512 | |
| 559 | H | A | -0.7589 | |
| 560 | G | A | -0.8687 | |
| 561 | L | A | 0.0000 | |
| 562 | T | A | -0.8688 | |
| 563 | P | A | -0.9996 | |
| 564 | Q | A | -1.4462 | |
| 565 | Q | A | -1.0827 | |
| 566 | V | A | 0.0000 | |
| 567 | V | A | 0.0000 | |
| 568 | A | A | -0.5149 | |
| 569 | I | A | 0.0000 | |
| 570 | A | A | 0.0000 | |
| 571 | S | A | -0.2555 | |
| 572 | N | A | -0.2084 | |
| 573 | I | A | 0.5841 | mutated: NI573A |
| 574 | G | A | -0.6449 | |
| 575 | G | A | 0.0000 | |
| 576 | K | A | -1.9725 | |
| 577 | Q | A | -2.0335 | |
| 578 | A | A | 0.0000 | |
| 579 | L | A | 0.0000 | |
| 580 | E | A | -2.3134 | |
| 581 | T | A | 0.0000 | |
| 582 | V | A | 0.0000 | |
| 583 | Q | A | -1.6476 | |
| 584 | R | A | -2.2116 | |
| 585 | L | A | 0.0000 | |
| 586 | L | A | 0.0000 | |
| 587 | P | A | -0.7160 | |
| 588 | V | A | -0.3148 | |
| 589 | L | A | 0.0000 | |
| 590 | C | A | -0.5582 | |
| 591 | Q | A | -1.1459 | |
| 592 | A | A | -0.5929 | |
| 593 | H | A | -0.7167 | |
| 594 | G | A | -0.8372 | |
| 595 | L | A | 0.0000 | |
| 596 | T | A | -1.0086 | |
| 597 | P | A | -1.2088 | |
| 598 | E | A | -1.9965 | |
| 599 | Q | A | -1.3549 | |
| 600 | V | A | 0.0000 | |
| 601 | V | A | 0.0000 | |
| 602 | A | A | -0.6632 | |
| 603 | I | A | 0.0000 | |
| 604 | A | A | 0.0000 | |
| 605 | S | A | -0.6190 | |
| 606 | H | A | -0.9144 | mutated: NH606A |
| 607 | D | A | -1.0347 | mutated: GD607A |
| 608 | G | A | -1.2357 | |
| 609 | G | A | 0.0000 | |
| 610 | K | A | -2.3916 | |
| 611 | Q | A | -2.3645 | |
| 612 | A | A | 0.0000 | |
| 613 | L | A | 0.0000 | |
| 614 | E | A | -2.2071 | |
| 615 | T | A | 0.0000 | |
| 616 | V | A | 0.0000 | |
| 617 | Q | A | -1.4856 | |
| 618 | R | A | -2.0905 | |
| 619 | L | A | -1.0935 | |
| 620 | L | A | 0.0000 | |
| 621 | P | A | -0.6115 | |
| 622 | V | A | -0.2948 | |
| 623 | L | A | 0.0000 | |
| 624 | C | A | -0.5576 | |
| 625 | Q | A | -1.1791 | |
| 626 | A | A | -0.6213 | |
| 627 | H | A | -0.8014 | |
| 628 | G | A | -0.8926 | |
| 629 | L | A | 0.0000 | |
| 630 | T | A | -1.0025 | |
| 631 | P | A | -1.1857 | |
| 632 | E | A | -1.9905 | |
| 633 | Q | A | -1.2874 | |
| 634 | V | A | 0.0000 | |
| 635 | V | A | 0.0000 | |
| 636 | A | A | -0.6755 | |
| 637 | I | A | 0.0000 | |
| 638 | A | A | 0.0000 | |
| 639 | S | A | -0.6622 | |
| 640 | N | A | -1.1511 | mutated: HN640A |
| 641 | G | A | 0.0000 | mutated: DG641A |
| 642 | G | A | -1.5485 | |
| 643 | G | A | 0.0000 | |
| 644 | K | A | -2.0417 | |
| 645 | Q | A | -1.7931 | |
| 646 | A | A | 0.0000 | |
| 647 | L | A | 0.0000 | |
| 648 | E | A | -1.9663 | |
| 649 | T | A | 0.0000 | |
| 650 | V | A | 0.0000 | |
| 651 | Q | A | -1.5889 | |
| 652 | R | A | -2.2991 | |
| 653 | L | A | -1.1434 | |
| 654 | L | A | 0.0000 | |
| 655 | P | A | -0.6538 | |
| 656 | V | A | -0.0572 | |
| 657 | L | A | 0.0000 | |
| 658 | C | A | -0.5600 | |
| 659 | Q | A | -1.1659 | |
| 660 | A | A | -0.5011 | |
| 661 | H | A | -0.5950 | |
| 662 | G | A | -1.0833 | |
| 663 | L | A | 0.0000 | |
| 664 | T | A | -0.8390 | |
| 665 | P | A | -0.9707 | |
| 666 | Q | A | -1.4329 | |
| 667 | Q | A | -1.1178 | |
| 668 | V | A | 0.0000 | |
| 669 | V | A | 0.0000 | |
| 670 | A | A | -0.3463 | |
| 671 | I | A | 0.0000 | |
| 672 | A | A | 0.0000 | |
| 673 | S | A | -0.6501 | |
| 674 | N | A | -0.9763 | |
| 675 | H | A | -1.5472 | mutated: GH675A |
| 676 | G | A | -1.5737 | |
| 677 | G | A | 0.0000 | |
| 678 | R | A | -2.2998 | |
| 679 | P | A | -1.9597 | |
| 680 | A | A | 0.0000 | |
| 681 | L | A | 0.0000 | |
| 682 | E | A | -2.4661 | |
| 683 | S | A | -1.5627 | |
| 684 | I | A | 0.0000 | |
| 685 | V | A | -0.5937 | |
| 686 | A | A | -0.9884 | |
| 687 | Q | A | -1.0833 | |
| 688 | L | A | -0.6092 | |
| 689 | S | A | -0.8999 | |
| 690 | R | A | -2.0321 | |
| 691 | P | A | -0.9998 | |
| 692 | D | A | -0.9838 | |
| 693 | P | A | -0.9383 | |
| 694 | A | A | 0.0000 | |
| 695 | L | A | 1.2632 | |
| 696 | A | A | 0.7609 | |
| 697 | A | A | 0.5869 | |
| 698 | L | A | 0.0810 | |
| 699 | T | A | -0.6664 | |
| 700 | N | A | -1.5035 | |
| 701 | D | A | -2.3460 | |
| 702 | H | A | -1.5637 | |
| 703 | L | A | 0.0000 | |
| 704 | V | A | 0.0000 | |
| 705 | A | A | -0.1556 | |
| 706 | L | A | 0.2523 | |
| 707 | A | A | 0.0000 | |
| 708 | C | A | 0.4642 | |
| 709 | L | A | 1.3796 | |
| 710 | G | A | -0.0255 | |
| 711 | G | A | -1.1650 | |
| 712 | R | A | -2.1392 | |
| 713 | P | A | -1.0658 | |
| 714 | A | A | -0.5549 | |
| 715 | L | A | 0.0000 | |
| 716 | D | A | -1.0912 | |
| 717 | A | A | -0.6797 | |
| 718 | V | A | -0.2481 | |
| 719 | K | A | -1.3593 | |
| 720 | K | A | -1.8207 | |
| 721 | L | A | -0.2694 | |
| 722 | E | A | -1.5426 | |
| 723 | H | A | -2.4566 | |
| 724 | H | A | -2.4731 | |
| 725 | H | A | -2.3330 | |
| 726 | H | A | -1.7083 | |
| 230 | M | B | 0.9410 | |
| 231 | Q | B | -0.1314 | |
| 232 | W | B | 0.7629 | |
| 233 | S | B | 0.0459 | |
| 234 | G | B | -0.6298 | |
| 235 | A | B | -0.9575 | |
| 236 | R | B | -2.1446 | |
| 237 | A | B | -1.0146 | |
| 238 | L | B | -0.0620 | |
| 239 | E | B | -1.3474 | |
| 240 | A | B | -0.4349 | |
| 241 | L | B | 0.6264 | |
| 242 | L | B | 1.0482 | |
| 243 | T | B | -0.0122 | |
| 244 | V | B | -0.6004 | |
| 245 | A | B | -0.2152 | |
| 246 | G | B | -1.3401 | |
| 247 | E | B | -1.8961 | |
| 248 | L | B | 0.0000 | |
| 249 | R | B | -3.2422 | |
| 250 | G | B | -2.1612 | |
| 251 | P | B | -1.5200 | |
| 252 | P | B | -1.4265 | |
| 253 | L | B | 0.0000 | |
| 254 | Q | B | -2.8043 | |
| 255 | L | B | 0.0000 | |
| 256 | D | B | -2.2481 | |
| 257 | T | B | -1.1298 | |
| 258 | G | B | -0.8940 | |
| 259 | Q | B | -1.6255 | |
| 260 | L | B | -0.8257 | |
| 261 | L | B | -0.5094 | |
| 262 | K | B | -2.0757 | |
| 263 | I | B | 0.0000 | |
| 264 | A | B | -1.3646 | |
| 265 | K | B | -2.8648 | |
| 266 | R | B | -3.3908 | |
| 267 | G | B | -2.4335 | |
| 268 | G | B | -1.5655 | |
| 269 | V | B | -0.2056 | |
| 270 | T | B | -0.5385 | |
| 271 | A | B | 0.0000 | |
| 272 | V | B | 0.0000 | |
| 273 | E | B | -1.2851 | |
| 274 | A | B | 0.0000 | |
| 275 | V | B | 0.0000 | |
| 276 | H | B | -1.0812 | |
| 277 | A | B | -0.6687 | |
| 278 | W | B | -0.7536 | |
| 279 | R | B | -1.1667 | |
| 280 | N | B | -1.6260 | |
| 281 | A | B | -0.9422 | |
| 282 | L | B | 0.0000 | |
| 283 | T | B | -1.1389 | |
| 284 | G | B | -1.0850 | |
| 285 | A | B | -0.7125 | |
| 286 | P | B | -0.6600 | |
| 287 | L | B | 0.0000 | |
| 288 | N | B | -1.5912 | |
| 289 | L | B | 0.0000 | |
| 290 | T | B | -1.0410 | |
| 291 | P | B | -1.4995 | |
| 292 | E | B | -2.0904 | |
| 293 | Q | B | -1.3767 | |
| 294 | V | B | 0.0000 | |
| 295 | V | B | 0.0000 | |
| 296 | A | B | -0.7867 | |
| 297 | I | B | 0.0000 | |
| 298 | A | B | 0.0000 | |
| 299 | S | B | -1.8622 | |
| 300 | H | B | -2.5552 | |
| 301 | D | B | -3.0854 | |
| 302 | G | B | -2.1422 | |
| 303 | G | B | 0.0000 | |
| 304 | K | B | -1.8929 | |
| 305 | Q | B | -2.0610 | |
| 306 | A | B | 0.0000 | |
| 307 | L | B | 0.0000 | |
| 308 | E | B | -2.0215 | |
| 309 | T | B | 0.0000 | |
| 310 | V | B | 0.0000 | |
| 311 | Q | B | -1.3081 | |
| 312 | R | B | -1.9514 | |
| 313 | L | B | -1.0131 | |
| 314 | L | B | 0.0000 | |
| 315 | P | B | -0.3757 | |
| 316 | V | B | 0.0947 | |
| 317 | L | B | 0.0000 | |
| 318 | C | B | -0.5860 | |
| 319 | Q | B | -1.0583 | |
| 320 | A | B | -0.4684 | |
| 321 | H | B | -0.6664 | |
| 322 | G | B | -0.8207 | |
| 323 | L | B | 0.0000 | |
| 324 | T | B | -0.8312 | |
| 325 | P | B | -1.1173 | |
| 326 | Q | B | -1.3703 | |
| 327 | Q | B | -1.0419 | |
| 328 | V | B | 0.0000 | |
| 329 | V | B | 0.0000 | |
| 330 | A | B | -0.5025 | |
| 331 | I | B | 0.0000 | |
| 332 | A | B | 0.0000 | |
| 333 | S | B | -0.7038 | |
| 334 | H | B | -1.3688 | |
| 335 | D | B | -2.1459 | |
| 336 | G | B | -1.8257 | |
| 337 | G | B | 0.0000 | |
| 338 | K | B | -2.2030 | |
| 339 | Q | B | -2.3475 | |
| 340 | A | B | 0.0000 | |
| 341 | L | B | 0.0000 | |
| 342 | E | B | -2.9626 | |
| 343 | T | B | 0.0000 | |
| 344 | V | B | 0.0000 | |
| 345 | Q | B | -1.8535 | |
| 346 | R | B | -2.6046 | |
| 347 | L | B | -1.5306 | |
| 348 | L | B | 0.0000 | |
| 349 | P | B | -0.6524 | |
| 350 | V | B | -0.1575 | |
| 351 | L | B | 0.0000 | |
| 352 | C | B | -0.7241 | |
| 353 | Q | B | -1.1110 | |
| 354 | A | B | -0.5556 | |
| 355 | H | B | -0.6624 | |
| 356 | G | B | -0.8328 | |
| 357 | L | B | 0.0000 | |
| 358 | T | B | -1.0346 | |
| 359 | P | B | -1.2207 | |
| 360 | E | B | -1.9886 | |
| 361 | Q | B | -1.3796 | |
| 362 | V | B | 0.0000 | |
| 363 | V | B | 0.0000 | |
| 364 | A | B | -0.6569 | |
| 365 | I | B | 0.0000 | |
| 366 | A | B | 0.0000 | |
| 367 | S | B | -0.6418 | |
| 368 | H | B | -1.1899 | |
| 369 | D | B | -1.8892 | |
| 370 | G | B | -1.7450 | |
| 371 | G | B | 0.0000 | |
| 372 | K | B | -2.5757 | |
| 373 | Q | B | -2.5067 | |
| 374 | A | B | 0.0000 | |
| 375 | L | B | 0.0000 | |
| 376 | E | B | -2.6334 | |
| 377 | T | B | 0.0000 | |
| 378 | V | B | 0.0000 | |
| 379 | Q | B | -0.8373 | |
| 380 | A | B | -0.3600 | |
| 381 | L | B | -0.0970 | |
| 382 | L | B | 0.0000 | |
| 383 | P | B | -0.0432 | |
| 384 | V | B | 0.4194 | |
| 385 | L | B | 0.0000 | |
| 386 | C | B | -0.5851 | |
| 387 | Q | B | -1.4560 | |
| 388 | A | B | -0.9829 | |
| 389 | H | B | -0.8723 | |
| 390 | G | B | -1.0024 | |
| 391 | L | B | 0.0000 | |
| 392 | T | B | -0.9919 | |
| 393 | P | B | -1.1945 | |
| 394 | E | B | -2.0133 | |
| 395 | Q | B | -1.3158 | |
| 396 | V | B | 0.0000 | |
| 397 | V | B | 0.0000 | |
| 398 | A | B | -0.6940 | |
| 399 | I | B | 0.0000 | |
| 400 | A | B | 0.0000 | |
| 401 | S | B | -0.4814 | |
| 402 | N | B | -0.9696 | |
| 403 | G | B | -1.4127 | |
| 404 | G | B | -1.5913 | |
| 405 | G | B | 0.0000 | |
| 406 | K | B | -2.2434 | |
| 407 | Q | B | -2.1377 | |
| 408 | A | B | 0.0000 | |
| 409 | L | B | 0.0000 | |
| 410 | E | B | -1.8506 | |
| 411 | T | B | 0.0000 | |
| 412 | V | B | 0.0000 | |
| 413 | Q | B | -1.2325 | |
| 414 | R | B | -2.0805 | |
| 415 | L | B | -1.0239 | |
| 416 | L | B | 0.0000 | |
| 417 | P | B | -0.4128 | |
| 418 | V | B | 0.1027 | |
| 419 | L | B | 0.0000 | |
| 420 | C | B | -0.6609 | |
| 421 | Q | B | -1.3175 | |
| 422 | A | B | -0.6395 | |
| 423 | H | B | -0.7865 | |
| 424 | G | B | -1.0831 | |
| 425 | L | B | 0.0000 | |
| 426 | T | B | -1.0354 | |
| 427 | P | B | -0.8622 | |
| 428 | Q | B | -1.3478 | |
| 429 | Q | B | -0.8950 | |
| 430 | V | B | 0.0000 | |
| 431 | V | B | 0.0000 | |
| 432 | A | B | -0.7385 | |
| 433 | I | B | 0.0000 | |
| 434 | A | B | 0.0000 | |
| 435 | S | B | -0.7420 | |
| 436 | N | B | -1.1570 | |
| 437 | G | B | -1.2706 | |
| 438 | G | B | -1.6245 | |
| 439 | G | B | 0.0000 | |
| 440 | K | B | -2.4311 | |
| 441 | Q | B | -2.5094 | |
| 442 | A | B | 0.0000 | |
| 443 | L | B | 0.0000 | |
| 444 | E | B | -2.9733 | |
| 445 | T | B | 0.0000 | |
| 446 | V | B | 0.0000 | |
| 447 | Q | B | -1.6219 | |
| 448 | R | B | -2.3400 | |
| 449 | L | B | 0.0000 | |
| 450 | L | B | 0.0000 | |
| 451 | P | B | -0.6385 | |
| 452 | V | B | -0.1740 | |
| 453 | L | B | 0.0000 | |
| 454 | C | B | -0.6823 | |
| 455 | Q | B | -1.1355 | |
| 456 | A | B | -0.5679 | |
| 457 | H | B | -0.7068 | |
| 458 | G | B | -0.8392 | |
| 459 | L | B | 0.0000 | |
| 460 | T | B | -0.8536 | |
| 461 | P | B | -0.9363 | |
| 462 | Q | B | -1.3822 | |
| 463 | Q | B | -1.0066 | |
| 464 | V | B | 0.0000 | |
| 465 | V | B | 0.0000 | |
| 466 | A | B | -1.0274 | |
| 467 | I | B | 0.0000 | |
| 468 | A | B | 0.0000 | |
| 469 | S | B | -1.3589 | |
| 470 | R | B | -2.2892 | |
| 471 | G | B | -2.1618 | |
| 472 | G | B | 0.0000 | |
| 473 | G | B | -2.3012 | |
| 474 | K | B | -2.4690 | |
| 475 | Q | B | -2.5512 | |
| 476 | A | B | 0.0000 | |
| 477 | L | B | 0.0000 | |
| 478 | E | B | -2.2374 | |
| 479 | T | B | 0.0000 | |
| 480 | V | B | 0.0000 | |
| 481 | Q | B | -1.4503 | |
| 482 | R | B | -2.1709 | |
| 483 | L | B | 0.0000 | |
| 484 | L | B | 0.0000 | |
| 485 | P | B | -0.6428 | |
| 486 | V | B | -0.1508 | |
| 487 | L | B | 0.0000 | |
| 488 | C | B | -0.6947 | |
| 489 | Q | B | -1.1494 | |
| 490 | A | B | -0.5701 | |
| 491 | H | B | -0.8978 | |
| 492 | G | B | -0.8597 | |
| 493 | L | B | 0.0000 | |
| 494 | T | B | -0.7946 | |
| 495 | P | B | -0.9058 | |
| 496 | Q | B | -1.3404 | |
| 497 | Q | B | -0.9341 | |
| 498 | V | B | 0.0000 | |
| 499 | V | B | 0.0000 | |
| 500 | A | B | -0.6435 | |
| 501 | I | B | 0.0000 | |
| 502 | A | B | 0.0000 | |
| 503 | S | B | 0.0000 | |
| 504 | N | B | -1.9149 | |
| 505 | N | B | -2.4563 | |
| 506 | G | B | -1.8661 | |
| 507 | G | B | 0.0000 | |
| 508 | K | B | -2.2925 | |
| 509 | Q | B | -2.2282 | |
| 510 | A | B | 0.0000 | |
| 511 | L | B | 0.0000 | |
| 512 | E | B | -2.0757 | |
| 513 | T | B | 0.0000 | |
| 514 | V | B | 0.0000 | |
| 515 | Q | B | -1.4428 | |
| 516 | R | B | -1.9647 | |
| 517 | L | B | -1.0246 | |
| 518 | L | B | 0.0000 | |
| 519 | P | B | -0.2608 | |
| 520 | V | B | 0.5072 | |
| 521 | L | B | 0.0000 | |
| 522 | C | B | -0.4170 | |
| 523 | Q | B | -0.8385 | |
| 524 | A | B | -0.4122 | |
| 525 | H | B | -0.7796 | |
| 526 | G | B | -0.9103 | |
| 527 | L | B | 0.0000 | |
| 528 | T | B | -0.8079 | |
| 529 | P | B | -0.8494 | |
| 530 | Q | B | -1.3413 | |
| 531 | Q | B | -0.9631 | |
| 532 | V | B | 0.0000 | |
| 533 | V | B | 0.0000 | |
| 534 | A | B | -0.4857 | |
| 535 | I | B | 0.0000 | |
| 536 | A | B | 0.0000 | |
| 537 | S | B | -0.7164 | |
| 538 | H | B | -1.2894 | |
| 539 | D | B | -1.8785 | |
| 540 | G | B | -1.7937 | |
| 541 | G | B | 0.0000 | |
| 542 | K | B | -2.2211 | |
| 543 | Q | B | -2.2496 | |
| 544 | A | B | 0.0000 | |
| 545 | L | B | 0.0000 | |
| 546 | E | B | -2.7439 | |
| 547 | T | B | 0.0000 | |
| 548 | V | B | 0.0000 | |
| 549 | Q | B | -1.6744 | |
| 550 | R | B | -2.4086 | |
| 551 | L | B | 0.0000 | |
| 552 | L | B | 0.0000 | |
| 553 | P | B | -0.8534 | |
| 554 | V | B | -0.2983 | |
| 555 | L | B | 0.0000 | |
| 556 | C | B | -0.7801 | |
| 557 | Q | B | -1.2066 | |
| 558 | A | B | -0.6206 | |
| 559 | H | B | -0.8029 | |
| 560 | G | B | -0.9067 | |
| 561 | L | B | 0.0000 | |
| 562 | T | B | -0.8396 | |
| 563 | P | B | -0.9490 | |
| 564 | Q | B | -1.3504 | |
| 565 | Q | B | -0.9996 | |
| 566 | V | B | 0.0000 | |
| 567 | V | B | 0.0000 | |
| 568 | A | B | -0.4623 | |
| 569 | I | B | 0.0000 | |
| 570 | A | B | 0.0000 | |
| 571 | S | B | -0.6564 | |
| 572 | N | B | -1.4427 | |
| 573 | N | B | -1.8505 | |
| 574 | G | B | -1.8864 | |
| 575 | G | B | 0.0000 | |
| 576 | K | B | -2.3920 | |
| 577 | Q | B | -2.2706 | |
| 578 | A | B | 0.0000 | |
| 579 | L | B | 0.0000 | |
| 580 | E | B | -1.7949 | |
| 581 | T | B | 0.0000 | |
| 582 | V | B | 0.0000 | |
| 583 | Q | B | -1.3336 | |
| 584 | R | B | -1.9257 | |
| 585 | L | B | -1.0626 | |
| 586 | L | B | 0.0000 | |
| 587 | P | B | -0.5825 | |
| 588 | V | B | -0.0977 | |
| 589 | L | B | 0.0000 | |
| 590 | C | B | -0.4709 | |
| 591 | Q | B | -1.1771 | |
| 592 | A | B | -0.5391 | |
| 593 | H | B | -0.6718 | |
| 594 | G | B | -0.8090 | |
| 595 | L | B | 0.0000 | |
| 596 | T | B | -0.9997 | |
| 597 | P | B | -1.2095 | |
| 598 | E | B | -1.9736 | |
| 599 | Q | B | -1.3152 | |
| 600 | V | B | 0.0000 | |
| 601 | V | B | 0.0000 | |
| 602 | A | B | -0.6488 | |
| 603 | I | B | 0.0000 | |
| 604 | A | B | 0.0000 | |
| 605 | S | B | -0.6468 | |
| 606 | N | B | -1.4939 | |
| 607 | G | B | -1.7323 | |
| 608 | G | B | -1.9069 | |
| 609 | G | B | 0.0000 | |
| 610 | K | B | -2.2082 | |
| 611 | Q | B | -2.4251 | |
| 612 | A | B | 0.0000 | |
| 613 | L | B | 0.0000 | |
| 614 | E | B | -2.2744 | |
| 615 | T | B | 0.0000 | |
| 616 | V | B | 0.0000 | |
| 617 | Q | B | -1.4027 | |
| 618 | R | B | -2.1383 | |
| 619 | L | B | -1.1848 | |
| 620 | L | B | 0.0000 | |
| 621 | P | B | -0.6313 | |
| 622 | V | B | -0.3133 | |
| 623 | L | B | 0.0000 | |
| 624 | C | B | -0.5635 | |
| 625 | Q | B | -1.1765 | |
| 626 | A | B | -0.6114 | |
| 627 | H | B | -0.9414 | |
| 628 | G | B | -1.1263 | |
| 629 | L | B | 0.0000 | |
| 630 | T | B | -1.0191 | |
| 631 | P | B | -1.2064 | |
| 632 | E | B | -1.9908 | |
| 633 | Q | B | -1.1752 | |
| 634 | V | B | 0.0000 | |
| 635 | V | B | 0.0000 | |
| 636 | A | B | -0.6622 | |
| 637 | I | B | 0.0000 | |
| 638 | A | B | 0.0000 | |
| 639 | S | B | -0.8847 | |
| 640 | H | B | -1.8071 | |
| 641 | D | B | -2.7637 | |
| 642 | G | B | -2.1660 | |
| 643 | G | B | 0.0000 | |
| 644 | K | B | -2.4233 | |
| 645 | Q | B | -2.2474 | |
| 646 | A | B | 0.0000 | |
| 647 | L | B | 0.0000 | |
| 648 | E | B | -2.3238 | |
| 649 | T | B | 0.0000 | |
| 650 | V | B | 0.0000 | |
| 651 | Q | B | -1.7260 | |
| 652 | R | B | -2.4136 | |
| 653 | L | B | 0.0000 | |
| 654 | L | B | 0.0000 | |
| 655 | P | B | -0.7253 | |
| 656 | V | B | -0.1887 | |
| 657 | L | B | 0.0000 | |
| 658 | C | B | -0.6955 | |
| 659 | Q | B | -1.2351 | |
| 660 | A | B | -0.5175 | |
| 661 | H | B | -0.6678 | |
| 662 | G | B | -1.1251 | |
| 663 | L | B | 0.0000 | |
| 664 | T | B | -0.7249 | |
| 665 | P | B | -0.7446 | |
| 666 | Q | B | -0.9633 | |
| 667 | Q | B | -0.8620 | |
| 668 | V | B | 0.0000 | |
| 669 | V | B | 0.0000 | |
| 670 | A | B | -0.3478 | |
| 671 | I | B | 0.0000 | |
| 672 | A | B | 0.0000 | |
| 673 | S | B | -0.6080 | |
| 674 | N | B | -1.1367 | |
| 675 | G | B | -1.6302 | |
| 676 | G | B | -1.5208 | |
| 677 | G | B | 0.0000 | |
| 678 | R | B | -1.7170 | |
| 679 | P | B | -1.2293 | |
| 680 | A | B | 0.0000 | |
| 681 | L | B | 0.0000 | |
| 682 | E | B | -1.5098 | |
| 683 | S | B | -0.9811 | |
| 684 | I | B | 0.0000 | |
| 685 | V | B | -0.4084 | |
| 686 | A | B | -0.9563 | |
| 687 | Q | B | -1.1306 | |
| 688 | L | B | -0.6454 | |
| 689 | S | B | -1.0136 | |
| 690 | R | B | -2.0643 | |
| 691 | P | B | -1.0959 | |
| 692 | D | B | -1.5068 | |
| 693 | P | B | -1.3625 | |
| 694 | A | B | 0.0000 | |
| 695 | L | B | 0.6319 | |
| 696 | A | B | 0.5481 | |
| 697 | A | B | 0.3970 | |
| 698 | L | B | 0.0000 | |
| 699 | T | B | -0.7351 | |
| 700 | N | B | -1.6717 | |
| 701 | D | B | -2.0296 | |
| 702 | H | B | 0.0000 | |
| 703 | L | B | 0.0000 | |
| 704 | V | B | 0.0000 | |
| 705 | A | B | -0.5015 | |
| 706 | L | B | 0.0000 | |
| 707 | A | B | 0.0000 | |
| 708 | C | B | -0.2769 | |
| 709 | L | B | 0.0000 | |
| 710 | G | B | -0.5953 | |
| 711 | G | B | -0.9618 | |
| 712 | R | B | -1.4320 | |
| 713 | P | B | -0.9969 | |
| 714 | A | B | 0.0000 | |
| 715 | L | B | 0.0000 | |
| 716 | D | B | -1.8728 | |
| 717 | A | B | -1.3552 | |
| 718 | V | B | 0.0000 | |
| 719 | K | B | -1.8641 | |
| 720 | K | B | -2.7420 | |
| 721 | L | B | -1.7763 | |
| 722 | E | B | -2.0376 | |
| 723 | H | B | -2.6865 | |
| 724 | H | B | -2.4814 | |
| 725 | H | B | -2.5255 | |
| 726 | H | B | -1.8447 | |
| 230 | M | E | 1.0134 | |
| 231 | Q | E | -0.1331 | |
| 232 | W | E | 0.7578 | |
| 233 | S | E | 0.0345 | |
| 234 | G | E | -0.6291 | |
| 235 | A | E | -0.9416 | |
| 236 | R | E | -2.1360 | |
| 237 | A | E | -0.9896 | |
| 238 | L | E | -0.0658 | |
| 239 | E | E | -1.3577 | |
| 240 | A | E | -0.4008 | |
| 241 | L | E | 0.6905 | |
| 242 | L | E | 1.0008 | |
| 243 | T | E | 0.0439 | |
| 244 | V | E | -0.5732 | |
| 245 | A | E | -0.1234 | |
| 246 | G | E | -1.2507 | |
| 247 | E | E | -2.0556 | |
| 248 | L | E | 0.0000 | |
| 249 | R | E | -2.8271 | |
| 250 | G | E | -2.0299 | |
| 251 | P | E | -1.3887 | |
| 252 | P | E | -1.2996 | |
| 253 | L | E | 0.0000 | |
| 254 | Q | E | -2.7044 | |
| 255 | L | E | 0.0000 | |
| 256 | D | E | -2.5304 | |
| 257 | T | E | -1.1842 | |
| 258 | G | E | -0.8568 | |
| 259 | Q | E | -1.7480 | |
| 260 | L | E | 0.0000 | |
| 261 | L | E | -0.6830 | |
| 262 | K | E | -2.4150 | |
| 263 | I | E | 0.0000 | |
| 264 | A | E | -1.4187 | |
| 265 | K | E | -2.9831 | |
| 266 | R | E | -3.5068 | |
| 267 | G | E | -2.4737 | |
| 268 | G | E | -1.5456 | |
| 269 | V | E | -0.0572 | |
| 270 | T | E | -0.4195 | |
| 271 | A | E | 0.0000 | |
| 272 | V | E | 0.0000 | |
| 273 | E | E | -0.9519 | |
| 274 | A | E | 0.0000 | |
| 275 | V | E | 0.0000 | |
| 276 | H | E | -0.9504 | |
| 277 | A | E | -0.4335 | |
| 278 | W | E | -0.5329 | |
| 279 | R | E | 0.0000 | |
| 280 | N | E | -1.4504 | |
| 281 | A | E | -0.8338 | |
| 282 | L | E | 0.0000 | |
| 283 | T | E | -1.0595 | |
| 284 | G | E | -1.0795 | |
| 285 | A | E | -0.7357 | |
| 286 | P | E | -0.6723 | |
| 287 | L | E | 0.0000 | |
| 288 | N | E | -1.6108 | |
| 289 | L | E | 0.0000 | |
| 290 | T | E | -1.0538 | |
| 291 | P | E | -1.4632 | |
| 292 | E | E | -2.0957 | |
| 293 | Q | E | -1.3787 | |
| 294 | V | E | 0.0000 | |
| 295 | V | E | 0.0000 | |
| 296 | A | E | -0.8397 | |
| 297 | I | E | 0.0000 | |
| 298 | A | E | 0.0000 | |
| 299 | S | E | -1.9767 | |
| 300 | H | E | -2.6040 | |
| 301 | D | E | -3.0874 | |
| 302 | G | E | -2.1390 | |
| 303 | G | E | 0.0000 | |
| 304 | K | E | -1.8119 | |
| 305 | Q | E | -2.0763 | |
| 306 | A | E | 0.0000 | |
| 307 | L | E | 0.0000 | |
| 308 | E | E | -2.0957 | |
| 309 | T | E | 0.0000 | |
| 310 | V | E | 0.0000 | |
| 311 | Q | E | -1.3860 | |
| 312 | R | E | -2.0580 | |
| 313 | L | E | -1.1258 | |
| 314 | L | E | 0.0000 | |
| 315 | P | E | -0.5279 | |
| 316 | V | E | -0.2309 | |
| 317 | L | E | 0.0000 | |
| 318 | C | E | -0.4291 | |
| 319 | Q | E | -0.7307 | |
| 320 | A | E | -0.6888 | |
| 321 | H | E | -0.7248 | |
| 322 | G | E | -0.6763 | |
| 323 | L | E | 0.0000 | |
| 324 | T | E | -0.7646 | |
| 325 | P | E | -1.0758 | |
| 326 | Q | E | -1.3831 | |
| 327 | Q | E | -1.0723 | |
| 328 | V | E | 0.0000 | |
| 329 | V | E | 0.0000 | |
| 330 | A | E | -0.5126 | |
| 331 | I | E | 0.0000 | |
| 332 | A | E | 0.0000 | |
| 333 | S | E | -0.7052 | |
| 334 | H | E | -1.3632 | |
| 335 | D | E | -2.1322 | |
| 336 | G | E | -1.7955 | |
| 337 | G | E | 0.0000 | |
| 338 | K | E | -2.1753 | |
| 339 | Q | E | -2.2735 | |
| 340 | A | E | 0.0000 | |
| 341 | L | E | 0.0000 | |
| 342 | E | E | -2.7419 | |
| 343 | T | E | 0.0000 | |
| 344 | V | E | 0.0000 | |
| 345 | Q | E | -1.6273 | |
| 346 | R | E | -2.6120 | |
| 347 | L | E | -1.5668 | |
| 348 | L | E | 0.0000 | |
| 349 | P | E | 0.0000 | |
| 350 | V | E | -0.4927 | |
| 351 | L | E | 0.0000 | |
| 352 | C | E | -0.6379 | |
| 353 | Q | E | -1.0718 | |
| 354 | A | E | -0.5113 | |
| 355 | H | E | -0.6567 | |
| 356 | G | E | -0.7636 | |
| 357 | L | E | 0.0000 | |
| 358 | T | E | -0.9563 | |
| 359 | P | E | -1.1696 | |
| 360 | E | E | -1.9816 | |
| 361 | Q | E | -1.3793 | |
| 362 | V | E | 0.0000 | |
| 363 | V | E | 0.0000 | |
| 364 | A | E | -0.6527 | |
| 365 | I | E | 0.0000 | |
| 366 | A | E | 0.0000 | |
| 367 | S | E | -0.6105 | |
| 368 | H | E | -1.2922 | |
| 369 | D | E | -1.9395 | |
| 370 | G | E | -1.9269 | |
| 371 | G | E | 0.0000 | |
| 372 | K | E | -2.5067 | |
| 373 | Q | E | -2.5318 | |
| 374 | A | E | 0.0000 | |
| 375 | L | E | 0.0000 | |
| 376 | E | E | -2.6792 | |
| 377 | T | E | 0.0000 | |
| 378 | V | E | 0.0000 | |
| 379 | Q | E | -0.9680 | |
| 380 | A | E | -0.3942 | |
| 381 | L | E | -0.3239 | |
| 382 | L | E | 0.0000 | |
| 383 | P | E | -0.0721 | |
| 384 | V | E | 0.3217 | |
| 385 | L | E | 0.0000 | |
| 386 | C | E | -0.3807 | |
| 387 | Q | E | -1.2944 | |
| 388 | A | E | -0.8895 | |
| 389 | H | E | -0.7238 | |
| 390 | G | E | -0.8410 | |
| 391 | L | E | 0.0000 | |
| 392 | T | E | -0.9372 | |
| 393 | P | E | -1.1732 | |
| 394 | E | E | -2.0148 | |
| 395 | Q | E | -1.3206 | |
| 396 | V | E | 0.0000 | |
| 397 | V | E | 0.0000 | |
| 398 | A | E | -0.6946 | |
| 399 | I | E | 0.0000 | |
| 400 | A | E | 0.0000 | |
| 401 | S | E | -0.4826 | |
| 402 | N | E | -1.0772 | |
| 403 | G | E | -1.4745 | |
| 404 | G | E | -1.6320 | |
| 405 | G | E | 0.0000 | |
| 406 | K | E | -2.3538 | |
| 407 | Q | E | -2.3462 | |
| 408 | A | E | 0.0000 | |
| 409 | L | E | 0.0000 | |
| 410 | E | E | -2.9353 | |
| 411 | T | E | 0.0000 | |
| 412 | V | E | 0.0000 | |
| 413 | Q | E | -1.8222 | |
| 414 | R | E | -2.3633 | |
| 415 | L | E | 0.0000 | |
| 416 | L | E | 0.0000 | |
| 417 | P | E | -0.4931 | |
| 418 | V | E | 0.0119 | |
| 419 | L | E | 0.0000 | |
| 420 | C | E | -0.7920 | |
| 421 | Q | E | -1.4847 | |
| 422 | A | E | -0.7323 | |
| 423 | H | E | -0.8760 | |
| 424 | G | E | -1.2672 | |
| 425 | L | E | 0.0000 | |
| 426 | T | E | -1.0552 | |
| 427 | P | E | -0.8534 | |
| 428 | Q | E | -1.3370 | |
| 429 | Q | E | -0.9075 | |
| 430 | V | E | 0.0000 | |
| 431 | V | E | 0.0000 | |
| 432 | A | E | -0.7477 | |
| 433 | I | E | 0.0000 | |
| 434 | A | E | 0.0000 | |
| 435 | S | E | -0.7515 | |
| 436 | N | E | -1.1732 | |
| 437 | G | E | -1.2776 | |
| 438 | G | E | -1.5853 | |
| 439 | G | E | 0.0000 | |
| 440 | K | E | -2.4954 | |
| 441 | Q | E | -2.3117 | |
| 442 | A | E | 0.0000 | |
| 443 | L | E | 0.0000 | |
| 444 | E | E | -2.9574 | |
| 445 | T | E | 0.0000 | |
| 446 | V | E | 0.0000 | |
| 447 | Q | E | -1.7250 | |
| 448 | R | E | -2.3960 | |
| 449 | L | E | 0.0000 | |
| 450 | L | E | 0.0000 | |
| 451 | P | E | -0.6235 | |
| 452 | V | E | -0.1512 | |
| 453 | L | E | 0.0000 | |
| 454 | C | E | -0.6886 | |
| 455 | Q | E | -1.1336 | |
| 456 | A | E | -0.5801 | |
| 457 | H | E | -0.7502 | |
| 458 | G | E | -0.8573 | |
| 459 | L | E | 0.0000 | |
| 460 | T | E | -0.8785 | |
| 461 | P | E | -0.9818 | |
| 462 | Q | E | -1.4154 | |
| 463 | Q | E | -1.0751 | |
| 464 | V | E | 0.0000 | |
| 465 | V | E | 0.0000 | |
| 466 | A | E | -1.0242 | |
| 467 | I | E | 0.0000 | |
| 468 | A | E | 0.0000 | |
| 469 | S | E | -1.3304 | |
| 470 | R | E | -2.2392 | |
| 471 | G | E | -2.1028 | |
| 472 | G | E | 0.0000 | |
| 473 | G | E | -2.2230 | |
| 474 | K | E | -2.3527 | |
| 475 | Q | E | -2.5116 | |
| 476 | A | E | 0.0000 | |
| 477 | L | E | 0.0000 | |
| 478 | E | E | -2.3327 | |
| 479 | T | E | 0.0000 | |
| 480 | V | E | 0.0000 | |
| 481 | Q | E | -1.4991 | |
| 482 | R | E | -2.1610 | |
| 483 | L | E | -1.1585 | |
| 484 | L | E | 0.0000 | |
| 485 | P | E | -0.6422 | |
| 486 | V | E | -0.1956 | |
| 487 | L | E | 0.0000 | |
| 488 | C | E | -0.6720 | |
| 489 | Q | E | -1.1646 | |
| 490 | A | E | -0.6102 | |
| 491 | H | E | -0.9469 | |
| 492 | G | E | -0.8658 | |
| 493 | L | E | 0.0000 | |
| 494 | T | E | -0.7835 | |
| 495 | P | E | -0.9194 | |
| 496 | Q | E | -1.3481 | |
| 497 | Q | E | -0.9243 | |
| 498 | V | E | 0.0000 | |
| 499 | V | E | 0.0000 | |
| 500 | A | E | -0.6267 | |
| 501 | I | E | 0.0000 | |
| 502 | A | E | 0.0000 | |
| 503 | S | E | 0.0000 | |
| 504 | N | E | 0.0000 | |
| 505 | N | E | -2.3932 | |
| 506 | G | E | -1.8527 | |
| 507 | G | E | 0.0000 | |
| 508 | K | E | -2.3755 | |
| 509 | Q | E | -2.4439 | |
| 510 | A | E | 0.0000 | |
| 511 | L | E | 0.0000 | |
| 512 | E | E | -2.5643 | |
| 513 | T | E | 0.0000 | |
| 514 | V | E | 0.0000 | |
| 515 | Q | E | -1.7147 | |
| 516 | R | E | -2.1366 | |
| 517 | L | E | -1.0391 | |
| 518 | L | E | 0.0000 | |
| 519 | P | E | -0.4074 | |
| 520 | V | E | 0.3211 | |
| 521 | L | E | 0.0000 | |
| 522 | C | E | -0.5872 | |
| 523 | Q | E | -1.1760 | |
| 524 | A | E | -0.7934 | |
| 525 | H | E | -1.4349 | |
| 526 | G | E | -1.0945 | |
| 527 | L | E | 0.0000 | |
| 528 | T | E | -0.8562 | |
| 529 | P | E | -0.8747 | |
| 530 | Q | E | -1.3552 | |
| 531 | Q | E | -1.0105 | |
| 532 | V | E | 0.0000 | |
| 533 | V | E | 0.0000 | |
| 534 | A | E | -0.4950 | |
| 535 | I | E | 0.0000 | |
| 536 | A | E | 0.0000 | |
| 537 | S | E | -0.6664 | |
| 538 | H | E | -1.2064 | |
| 539 | D | E | -1.7929 | |
| 540 | G | E | -1.7049 | |
| 541 | G | E | 0.0000 | |
| 542 | K | E | -2.2087 | |
| 543 | Q | E | -1.9260 | |
| 544 | A | E | 0.0000 | |
| 545 | L | E | 0.0000 | |
| 546 | E | E | -2.1295 | |
| 547 | T | E | 0.0000 | |
| 548 | V | E | 0.0000 | |
| 549 | Q | E | -1.2826 | |
| 550 | R | E | -2.0905 | |
| 551 | L | E | -1.1206 | |
| 552 | L | E | -0.6460 | |
| 553 | P | E | -0.6939 | |
| 554 | V | E | -0.2334 | |
| 555 | L | E | 0.0000 | |
| 556 | C | E | -0.7302 | |
| 557 | Q | E | -1.1802 | |
| 558 | A | E | -0.6319 | |
| 559 | H | E | -0.8508 | |
| 560 | G | E | -0.9276 | |
| 561 | L | E | 0.0000 | |
| 562 | T | E | -0.8520 | |
| 563 | P | E | -0.9061 | |
| 564 | Q | E | -1.4274 | |
| 565 | Q | E | -1.0871 | |
| 566 | V | E | 0.0000 | |
| 567 | V | E | 0.0000 | |
| 568 | A | E | -0.5009 | |
| 569 | I | E | 0.0000 | |
| 570 | A | E | 0.0000 | |
| 571 | S | E | -0.5887 | |
| 572 | N | E | -1.2696 | |
| 573 | N | E | -1.5398 | |
| 574 | G | E | -1.5143 | |
| 575 | G | E | 0.0000 | |
| 576 | K | E | -1.9801 | |
| 577 | Q | E | -2.0303 | |
| 578 | A | E | 0.0000 | |
| 579 | L | E | 0.0000 | |
| 580 | E | E | -1.9516 | |
| 581 | T | E | 0.0000 | |
| 582 | V | E | 0.0000 | |
| 583 | Q | E | -1.4932 | |
| 584 | R | E | -2.1207 | |
| 585 | L | E | 0.0000 | |
| 586 | L | E | 0.0000 | |
| 587 | P | E | -0.7201 | |
| 588 | V | E | -0.2972 | |
| 589 | L | E | 0.0000 | |
| 590 | C | E | -0.5617 | |
| 591 | Q | E | -1.1519 | |
| 592 | A | E | -0.6151 | |
| 593 | H | E | -0.7704 | |
| 594 | G | E | -0.8607 | |
| 595 | L | E | 0.0000 | |
| 596 | T | E | -1.0016 | |
| 597 | P | E | -1.2006 | |
| 598 | E | E | -1.9761 | |
| 599 | Q | E | -1.3101 | |
| 600 | V | E | 0.0000 | |
| 601 | V | E | 0.0000 | |
| 602 | A | E | -0.6537 | |
| 603 | I | E | 0.0000 | |
| 604 | A | E | 0.0000 | |
| 605 | S | E | -0.6371 | |
| 606 | N | E | -1.3807 | |
| 607 | G | E | -1.5946 | |
| 608 | G | E | -1.7650 | |
| 609 | G | E | 0.0000 | |
| 610 | K | E | -2.1534 | |
| 611 | Q | E | -2.4061 | |
| 612 | A | E | 0.0000 | |
| 613 | L | E | 0.0000 | |
| 614 | E | E | -2.3570 | |
| 615 | T | E | 0.0000 | |
| 616 | V | E | 0.0000 | |
| 617 | Q | E | -1.5722 | |
| 618 | R | E | -2.1168 | |
| 619 | L | E | -1.1536 | |
| 620 | L | E | 0.0000 | |
| 621 | P | E | -0.4915 | |
| 622 | V | E | -0.0318 | |
| 623 | L | E | 0.0000 | |
| 624 | C | E | -0.6612 | |
| 625 | Q | E | -1.0691 | |
| 626 | A | E | -0.5401 | |
| 627 | H | E | -0.7674 | |
| 628 | G | E | -0.8633 | |
| 629 | L | E | 0.0000 | |
| 630 | T | E | -1.0298 | |
| 631 | P | E | -1.2222 | |
| 632 | E | E | -1.9992 | |
| 633 | Q | E | -1.3380 | |
| 634 | V | E | 0.0000 | |
| 635 | V | E | 0.0000 | |
| 636 | A | E | -0.7006 | |
| 637 | I | E | 0.0000 | |
| 638 | A | E | 0.0000 | |
| 639 | S | E | -0.8928 | |
| 640 | H | E | -1.7807 | |
| 641 | D | E | -2.7039 | |
| 642 | G | E | -2.0842 | |
| 643 | G | E | 0.0000 | |
| 644 | K | E | -2.2741 | |
| 645 | Q | E | -1.9418 | |
| 646 | A | E | 0.0000 | |
| 647 | L | E | 0.0000 | |
| 648 | E | E | -1.8434 | |
| 649 | T | E | 0.0000 | |
| 650 | V | E | 0.0000 | |
| 651 | Q | E | -1.4667 | |
| 652 | R | E | -2.2311 | |
| 653 | L | E | -1.0447 | |
| 654 | L | E | 0.0000 | |
| 655 | P | E | -0.6604 | |
| 656 | V | E | -0.1051 | |
| 657 | L | E | 0.0000 | |
| 658 | C | E | -0.5295 | |
| 659 | Q | E | -1.1522 | |
| 660 | A | E | -0.4978 | |
| 661 | H | E | -0.6278 | |
| 662 | G | E | -0.9245 | |
| 663 | L | E | 0.0000 | |
| 664 | T | E | -0.7718 | |
| 665 | P | E | -0.9349 | |
| 666 | Q | E | -1.3911 | |
| 667 | Q | E | -1.0365 | |
| 668 | V | E | 0.0000 | |
| 669 | V | E | 0.0000 | |
| 670 | A | E | -0.4594 | |
| 671 | I | E | 0.0000 | |
| 672 | A | E | 0.0000 | |
| 673 | S | E | -0.6826 | |
| 674 | N | E | -1.1128 | |
| 675 | G | E | -1.5980 | |
| 676 | G | E | -1.5572 | |
| 677 | G | E | 0.0000 | |
| 678 | R | E | -1.8709 | |
| 679 | P | E | -1.4141 | |
| 680 | A | E | 0.0000 | |
| 681 | L | E | 0.0000 | |
| 682 | E | E | -1.7826 | |
| 683 | S | E | -1.1577 | |
| 684 | I | E | 0.0000 | |
| 685 | V | E | -0.4487 | |
| 686 | A | E | -0.8758 | |
| 687 | Q | E | -1.0259 | |
| 688 | L | E | -0.5492 | |
| 689 | S | E | -0.9192 | |
| 690 | R | E | -1.8989 | |
| 691 | P | E | -0.8729 | |
| 692 | D | E | -1.0138 | |
| 693 | P | E | -1.2276 | |
| 694 | A | E | -0.7014 | |
| 695 | L | E | 0.6127 | |
| 696 | A | E | 0.5780 | |
| 697 | A | E | 0.2180 | |
| 698 | L | E | 0.0000 | |
| 699 | T | E | -0.7509 | |
| 700 | N | E | -1.6417 | |
| 701 | D | E | -2.1650 | |
| 702 | H | E | 0.0000 | |
| 703 | L | E | 0.0000 | |
| 704 | V | E | 0.0000 | |
| 705 | A | E | -0.5011 | |
| 706 | L | E | 0.0000 | |
| 707 | A | E | 0.0000 | |
| 708 | C | E | -0.0905 | |
| 709 | L | E | 0.0000 | |
| 710 | G | E | -0.6784 | |
| 711 | G | E | -1.0166 | |
| 712 | R | E | -1.5296 | |
| 713 | P | E | -1.0456 | |
| 714 | A | E | 0.0000 | |
| 715 | L | E | 0.0000 | |
| 716 | D | E | -1.9724 | |
| 717 | A | E | -1.3988 | |
| 718 | V | E | 0.0000 | |
| 719 | K | E | -1.9012 | |
| 720 | K | E | -2.4148 | |
| 721 | L | E | -1.4011 | |
| 722 | E | E | -1.8475 | |
| 723 | H | E | -2.3192 | |
| 724 | H | E | -2.0075 | |
| 725 | H | E | -2.0299 | |
| 726 | H | E | -1.5949 | |
| 230 | M | H | 1.0112 | |
| 231 | Q | H | -0.1386 | |
| 232 | W | H | 0.5977 | |
| 233 | S | H | -0.0972 | |
| 234 | G | H | -0.6409 | |
| 235 | A | H | -0.9615 | |
| 236 | R | H | -2.1572 | |
| 237 | A | H | -1.0320 | |
| 238 | L | H | -0.1339 | |
| 239 | E | H | -1.3948 | |
| 240 | A | H | -0.4394 | |
| 241 | L | H | 0.6455 | |
| 242 | L | H | 1.0557 | |
| 243 | T | H | 0.1351 | |
| 244 | V | H | -0.4392 | |
| 245 | A | H | -0.0364 | |
| 246 | G | H | -1.0818 | |
| 247 | E | H | -1.6510 | |
| 248 | L | H | 0.0000 | |
| 249 | R | H | -2.6865 | |
| 250 | G | H | -1.8839 | |
| 251 | P | H | -1.3753 | |
| 252 | P | H | -1.3376 | |
| 253 | L | H | 0.0000 | |
| 254 | Q | H | -2.6414 | |
| 255 | L | H | 0.0000 | |
| 256 | D | H | -2.4894 | |
| 257 | T | H | -1.1715 | |
| 258 | G | H | -0.7942 | |
| 259 | Q | H | 0.0000 | |
| 260 | L | H | -0.8483 | |
| 261 | L | H | -0.8652 | |
| 262 | K | H | -2.2093 | |
| 263 | I | H | 0.0000 | |
| 264 | A | H | -1.4605 | |
| 265 | K | H | -2.9875 | |
| 266 | R | H | -3.4949 | |
| 267 | G | H | -2.4636 | |
| 268 | G | H | -1.6050 | |
| 269 | V | H | -0.1177 | |
| 270 | T | H | -0.4374 | |
| 271 | A | H | 0.0000 | |
| 272 | V | H | 0.0000 | |
| 273 | E | H | -1.0546 | |
| 274 | A | H | 0.0000 | |
| 275 | V | H | 0.0000 | |
| 276 | H | H | -1.0026 | |
| 277 | A | H | -0.5198 | |
| 278 | W | H | -0.6905 | |
| 279 | R | H | -1.1246 | |
| 280 | N | H | -1.6211 | |
| 281 | A | H | -0.9390 | |
| 282 | L | H | 0.0000 | |
| 283 | T | H | -1.1558 | |
| 284 | G | H | -1.1309 | |
| 285 | A | H | -0.7330 | |
| 286 | P | H | -0.6738 | |
| 287 | L | H | 0.0000 | |
| 288 | N | H | -1.6108 | |
| 289 | L | H | 0.0000 | |
| 290 | T | H | -1.0212 | |
| 291 | P | H | -1.4457 | |
| 292 | E | H | -2.0104 | |
| 293 | Q | H | -1.3176 | |
| 294 | V | H | 0.0000 | |
| 295 | V | H | -0.7943 | |
| 296 | A | H | -0.7076 | |
| 297 | I | H | 0.0000 | |
| 298 | A | H | 0.0000 | |
| 299 | S | H | -1.8784 | |
| 300 | H | H | -2.6548 | |
| 301 | D | H | -3.0577 | |
| 302 | G | H | -2.0974 | |
| 303 | G | H | 0.0000 | |
| 304 | K | H | -1.8735 | |
| 305 | Q | H | -2.0808 | |
| 306 | A | H | 0.0000 | |
| 307 | L | H | 0.0000 | |
| 308 | E | H | -2.1390 | |
| 309 | T | H | 0.0000 | |
| 310 | V | H | 0.0000 | |
| 311 | Q | H | -1.4535 | |
| 312 | R | H | -2.0502 | |
| 313 | L | H | -1.1381 | |
| 314 | L | H | 0.0000 | |
| 315 | P | H | -0.5036 | |
| 316 | V | H | -0.1187 | |
| 317 | L | H | 0.0000 | |
| 318 | C | H | -0.6614 | |
| 319 | Q | H | -1.1357 | |
| 320 | A | H | -0.5399 | |
| 321 | H | H | -0.6987 | |
| 322 | G | H | -0.8475 | |
| 323 | L | H | 0.0000 | |
| 324 | T | H | -0.8302 | |
| 325 | P | H | -1.1189 | |
| 326 | Q | H | -1.3702 | |
| 327 | Q | H | -1.0477 | |
| 328 | V | H | 0.0000 | |
| 329 | V | H | 0.0000 | |
| 330 | A | H | -0.5078 | |
| 331 | I | H | 0.0000 | |
| 332 | A | H | 0.0000 | |
| 333 | S | H | -0.6720 | |
| 334 | H | H | -1.3239 | |
| 335 | D | H | -2.0633 | |
| 336 | G | H | -1.7854 | |
| 337 | G | H | 0.0000 | |
| 338 | K | H | -2.2190 | |
| 339 | Q | H | -2.3194 | |
| 340 | A | H | 0.0000 | |
| 341 | L | H | 0.0000 | |
| 342 | E | H | -2.8895 | |
| 343 | T | H | 0.0000 | |
| 344 | V | H | 0.0000 | |
| 345 | Q | H | -1.8213 | |
| 346 | R | H | -2.5563 | |
| 347 | L | H | -1.4492 | |
| 348 | L | H | 0.0000 | |
| 349 | P | H | -0.6328 | |
| 350 | V | H | -0.1192 | |
| 351 | L | H | 0.0000 | |
| 352 | C | H | -0.7240 | |
| 353 | Q | H | -1.1278 | |
| 354 | A | H | -0.5423 | |
| 355 | H | H | -0.6606 | |
| 356 | G | H | -0.8432 | |
| 357 | L | H | 0.0000 | |
| 358 | T | H | -1.0333 | |
| 359 | P | H | -1.3327 | |
| 360 | E | H | -1.9860 | |
| 361 | Q | H | -1.3886 | |
| 362 | V | H | 0.0000 | |
| 363 | V | H | 0.0000 | |
| 364 | A | H | -0.6505 | |
| 365 | I | H | 0.0000 | |
| 366 | A | H | 0.0000 | |
| 367 | S | H | -0.6482 | |
| 368 | H | H | -1.2766 | |
| 369 | D | H | -1.8734 | |
| 370 | G | H | -1.9250 | |
| 371 | G | H | 0.0000 | |
| 372 | K | H | -2.5996 | |
| 373 | Q | H | -2.5503 | |
| 374 | A | H | 0.0000 | |
| 375 | L | H | 0.0000 | |
| 376 | E | H | -2.6741 | |
| 377 | T | H | 0.0000 | |
| 378 | V | H | 0.0000 | |
| 379 | Q | H | -0.6830 | |
| 380 | A | H | -0.3002 | |
| 381 | L | H | -0.2785 | |
| 382 | L | H | 0.0000 | |
| 383 | P | H | -0.0635 | |
| 384 | V | H | 0.4100 | |
| 385 | L | H | 0.0000 | |
| 386 | C | H | -0.4479 | |
| 387 | Q | H | -1.0687 | |
| 388 | A | H | -0.5129 | |
| 389 | H | H | -0.6591 | |
| 390 | G | H | -0.8281 | |
| 391 | L | H | 0.0000 | |
| 392 | T | H | -1.0242 | |
| 393 | P | H | -1.2223 | |
| 394 | E | H | -2.0145 | |
| 395 | Q | H | -1.3174 | |
| 396 | V | H | 0.0000 | |
| 397 | V | H | 0.0000 | |
| 398 | A | H | -0.6889 | |
| 399 | I | H | 0.0000 | |
| 400 | A | H | 0.0000 | |
| 401 | S | H | -0.4953 | |
| 402 | N | H | -1.0649 | |
| 403 | G | H | -1.4172 | |
| 404 | G | H | -1.6096 | |
| 405 | G | H | 0.0000 | |
| 406 | K | H | -2.5744 | |
| 407 | Q | H | -2.4656 | |
| 408 | A | H | 0.0000 | |
| 409 | L | H | 0.0000 | |
| 410 | E | H | -2.9372 | |
| 411 | T | H | 0.0000 | |
| 412 | V | H | 0.0000 | |
| 413 | Q | H | -1.7666 | |
| 414 | R | H | -2.4591 | |
| 415 | L | H | 0.0000 | |
| 416 | L | H | 0.0000 | |
| 417 | P | H | -0.5247 | |
| 418 | V | H | -0.1673 | |
| 419 | L | H | 0.0000 | |
| 420 | C | H | -0.5043 | |
| 421 | Q | H | -1.1704 | |
| 422 | A | H | -0.6965 | |
| 423 | H | H | -0.5913 | |
| 424 | G | H | -0.7391 | |
| 425 | L | H | 0.0000 | |
| 426 | T | H | -0.7890 | |
| 427 | P | H | -0.9002 | |
| 428 | Q | H | -1.3722 | |
| 429 | Q | H | -0.9436 | |
| 430 | V | H | 0.0000 | |
| 431 | V | H | 0.0000 | |
| 432 | A | H | -0.7628 | |
| 433 | I | H | 0.0000 | |
| 434 | A | H | 0.0000 | |
| 435 | S | H | -0.7569 | |
| 436 | N | H | -1.1666 | |
| 437 | G | H | -1.2594 | |
| 438 | G | H | -1.5934 | |
| 439 | G | H | 0.0000 | |
| 440 | K | H | -2.4343 | |
| 441 | Q | H | -2.1617 | |
| 442 | A | H | 0.0000 | |
| 443 | L | H | 0.0000 | |
| 444 | E | H | -2.5126 | |
| 445 | T | H | 0.0000 | |
| 446 | V | H | 0.0000 | |
| 447 | Q | H | -1.5228 | |
| 448 | R | H | -2.4209 | |
| 449 | L | H | 0.0000 | |
| 450 | L | H | 0.0000 | |
| 451 | P | H | -0.9344 | |
| 452 | V | H | 0.0000 | |
| 453 | L | H | 0.0000 | |
| 454 | C | H | -0.8033 | |
| 455 | Q | H | -1.1852 | |
| 456 | A | H | -0.7346 | |
| 457 | H | H | -0.6003 | |
| 458 | G | H | -0.7191 | |
| 459 | L | H | 0.0000 | |
| 460 | T | H | -0.7829 | |
| 461 | P | H | -0.9622 | |
| 462 | Q | H | -1.4215 | |
| 463 | Q | H | -1.0642 | |
| 464 | V | H | 0.0000 | |
| 465 | V | H | 0.0000 | |
| 466 | A | H | -1.0511 | |
| 467 | I | H | 0.0000 | |
| 468 | A | H | 0.0000 | |
| 469 | S | H | -1.3645 | |
| 470 | R | H | -2.2959 | |
| 471 | G | H | -2.1652 | |
| 472 | G | H | 0.0000 | |
| 473 | G | H | -2.2269 | |
| 474 | K | H | -2.3124 | |
| 475 | Q | H | -2.5716 | |
| 476 | A | H | 0.0000 | |
| 477 | L | H | 0.0000 | |
| 478 | E | H | -2.2547 | |
| 479 | T | H | 0.0000 | |
| 480 | V | H | 0.0000 | |
| 481 | Q | H | -1.3356 | |
| 482 | R | H | -2.0194 | |
| 483 | L | H | -1.0964 | |
| 484 | L | H | 0.0000 | |
| 485 | P | H | -0.5645 | |
| 486 | V | H | -0.0962 | |
| 487 | L | H | 0.0000 | |
| 488 | C | H | -0.6834 | |
| 489 | Q | H | -1.1352 | |
| 490 | A | H | -0.5797 | |
| 491 | H | H | -0.9134 | |
| 492 | G | H | -0.8658 | |
| 493 | L | H | 0.0000 | |
| 494 | T | H | -0.8410 | |
| 495 | P | H | -0.9631 | |
| 496 | Q | H | -1.3937 | |
| 497 | Q | H | -0.9601 | |
| 498 | V | H | 0.0000 | |
| 499 | V | H | 0.0000 | |
| 500 | A | H | -0.6639 | |
| 501 | I | H | 0.0000 | |
| 502 | A | H | 0.0000 | |
| 503 | S | H | 0.0000 | |
| 504 | N | H | -1.9610 | |
| 505 | N | H | -2.5116 | |
| 506 | G | H | -1.9639 | |
| 507 | G | H | 0.0000 | |
| 508 | K | H | -2.4082 | |
| 509 | Q | H | -2.3955 | |
| 510 | A | H | 0.0000 | |
| 511 | L | H | 0.0000 | |
| 512 | E | H | -1.9898 | |
| 513 | T | H | 0.0000 | |
| 514 | V | H | 0.0000 | |
| 515 | Q | H | -1.4193 | |
| 516 | R | H | -1.9545 | |
| 517 | L | H | -0.9463 | |
| 518 | L | H | 0.0000 | |
| 519 | P | H | -0.3882 | |
| 520 | V | H | 0.3301 | |
| 521 | L | H | 0.0000 | |
| 522 | C | H | -0.5930 | |
| 523 | Q | H | -1.1769 | |
| 524 | A | H | -0.7914 | |
| 525 | H | H | -1.4395 | |
| 526 | G | H | -1.0956 | |
| 527 | L | H | 0.0000 | |
| 528 | T | H | -0.8237 | |
| 529 | P | H | -0.8229 | |
| 530 | Q | H | -1.2963 | |
| 531 | Q | H | -0.9428 | |
| 532 | V | H | 0.0000 | |
| 533 | V | H | -0.4214 | |
| 534 | A | H | -0.4192 | |
| 535 | I | H | 0.0000 | |
| 536 | A | H | 0.0000 | |
| 537 | S | H | -0.6837 | |
| 538 | H | H | -1.2746 | |
| 539 | D | H | -1.9485 | |
| 540 | G | H | -1.9346 | |
| 541 | G | H | 0.0000 | |
| 542 | K | H | -2.3057 | |
| 543 | Q | H | -2.3639 | |
| 544 | A | H | 0.0000 | |
| 545 | L | H | 0.0000 | |
| 546 | E | H | -2.3828 | |
| 547 | T | H | 0.0000 | |
| 548 | V | H | 0.0000 | |
| 549 | Q | H | -1.2249 | |
| 550 | R | H | -2.0582 | |
| 551 | L | H | -1.0033 | |
| 552 | L | H | -0.5351 | |
| 553 | P | H | -0.4905 | |
| 554 | V | H | 0.1535 | |
| 555 | L | H | 0.0000 | |
| 556 | C | H | -0.6047 | |
| 557 | Q | H | -1.0423 | |
| 558 | A | H | -0.5099 | |
| 559 | H | H | -0.8103 | |
| 560 | G | H | -0.8862 | |
| 561 | L | H | 0.0000 | |
| 562 | T | H | -0.8544 | |
| 563 | P | H | -0.9039 | |
| 564 | Q | H | -1.4247 | |
| 565 | Q | H | -1.0838 | |
| 566 | V | H | 0.0000 | |
| 567 | V | H | 0.0000 | |
| 568 | A | H | -0.4968 | |
| 569 | I | H | 0.0000 | |
| 570 | A | H | 0.0000 | |
| 571 | S | H | -0.6024 | |
| 572 | N | H | -1.3711 | |
| 573 | N | H | -1.7335 | |
| 574 | G | H | -1.7885 | |
| 575 | G | H | 0.0000 | |
| 576 | K | H | -2.1692 | |
| 577 | Q | H | -2.1207 | |
| 578 | A | H | 0.0000 | |
| 579 | L | H | 0.0000 | |
| 580 | E | H | -1.9362 | |
| 581 | T | H | 0.0000 | |
| 582 | V | H | 0.0000 | |
| 583 | Q | H | -1.4985 | |
| 584 | R | H | -2.1537 | |
| 585 | L | H | 0.0000 | |
| 586 | L | H | 0.0000 | |
| 587 | P | H | -0.7540 | |
| 588 | V | H | -0.3236 | |
| 589 | L | H | 0.0000 | |
| 590 | C | H | -0.5498 | |
| 591 | Q | H | -1.1381 | |
| 592 | A | H | -0.5885 | |
| 593 | H | H | -0.7024 | |
| 594 | G | H | -0.8249 | |
| 595 | L | H | 0.0000 | |
| 596 | T | H | -1.0097 | |
| 597 | P | H | -1.2289 | |
| 598 | E | H | -2.0030 | |
| 599 | Q | H | -1.3571 | |
| 600 | V | H | 0.0000 | |
| 601 | V | H | 0.0000 | |
| 602 | A | H | -0.6702 | |
| 603 | I | H | 0.0000 | |
| 604 | A | H | 0.0000 | |
| 605 | S | H | -0.6521 | |
| 606 | N | H | -1.4534 | |
| 607 | G | H | -1.6880 | |
| 608 | G | H | -1.8365 | |
| 609 | G | H | 0.0000 | |
| 610 | K | H | -2.0469 | |
| 611 | Q | H | -2.2921 | |
| 612 | A | H | 0.0000 | |
| 613 | L | H | 0.0000 | |
| 614 | E | H | -2.0442 | |
| 615 | T | H | 0.0000 | |
| 616 | V | H | 0.0000 | |
| 617 | Q | H | -1.4984 | |
| 618 | R | H | -2.0940 | |
| 619 | L | H | -1.2186 | |
| 620 | L | H | 0.0000 | |
| 621 | P | H | -0.6178 | |
| 622 | V | H | -0.3042 | |
| 623 | L | H | 0.0000 | |
| 624 | C | H | -0.7598 | |
| 625 | Q | H | -1.1699 | |
| 626 | A | H | -0.6270 | |
| 627 | H | H | -0.8189 | |
| 628 | G | H | -0.9052 | |
| 629 | L | H | 0.0000 | |
| 630 | T | H | -1.0243 | |
| 631 | P | H | -1.1919 | |
| 632 | E | H | -1.9943 | |
| 633 | Q | H | -1.3257 | |
| 634 | V | H | 0.0000 | |
| 635 | V | H | 0.0000 | |
| 636 | A | H | -0.7091 | |
| 637 | I | H | 0.0000 | |
| 638 | A | H | 0.0000 | |
| 639 | S | H | -0.9288 | |
| 640 | H | H | -1.8540 | |
| 641 | D | H | -2.7808 | |
| 642 | G | H | -2.1645 | |
| 643 | G | H | 0.0000 | |
| 644 | K | H | -2.2655 | |
| 645 | Q | H | -2.0070 | |
| 646 | A | H | 0.0000 | |
| 647 | L | H | 0.0000 | |
| 648 | E | H | -1.9309 | |
| 649 | T | H | 0.0000 | |
| 650 | V | H | 0.0000 | |
| 651 | Q | H | -1.5132 | |
| 652 | R | H | -2.2865 | |
| 653 | L | H | -1.0940 | |
| 654 | L | H | 0.0000 | |
| 655 | P | H | -0.6562 | |
| 656 | V | H | -0.1236 | |
| 657 | L | H | 0.0000 | |
| 658 | C | H | -0.5366 | |
| 659 | Q | H | -1.1630 | |
| 660 | A | H | -0.5067 | |
| 661 | H | H | -0.5968 | |
| 662 | G | H | -0.8935 | |
| 663 | L | H | 0.0000 | |
| 664 | T | H | -0.7669 | |
| 665 | P | H | -0.9339 | |
| 666 | Q | H | -1.4045 | |
| 667 | Q | H | -1.0553 | |
| 668 | V | H | 0.0000 | |
| 669 | V | H | 0.0000 | |
| 670 | A | H | -0.3244 | |
| 671 | I | H | 0.0000 | |
| 672 | A | H | 0.0000 | |
| 673 | S | H | -0.8347 | |
| 674 | N | H | -1.0240 | |
| 675 | G | H | -1.6595 | |
| 676 | G | H | -1.7102 | |
| 677 | G | H | 0.0000 | |
| 678 | R | H | -1.9622 | |
| 679 | P | H | -1.7147 | |
| 680 | A | H | 0.0000 | |
| 681 | L | H | 0.0000 | |
| 682 | E | H | -2.3495 | |
| 683 | S | H | -1.6302 | |
| 684 | I | H | 0.0000 | |
| 685 | V | H | -0.5985 | |
| 686 | A | H | -0.9785 | |
| 687 | Q | H | -0.9646 | |
| 688 | L | H | -0.3851 | |
| 689 | S | H | -0.8552 | |
| 690 | R | H | -1.8019 | |
| 691 | P | H | -0.6793 | |
| 692 | D | H | -0.6864 | |
| 693 | P | H | -0.9499 | |
| 694 | A | H | -0.4302 | |
| 695 | L | H | 0.9267 | |
| 696 | A | H | 0.8672 | |
| 697 | A | H | 0.5743 | |
| 698 | L | H | 0.3094 | |
| 699 | T | H | -0.5424 | |
| 700 | N | H | -1.4222 | |
| 701 | D | H | -2.1941 | |
| 702 | H | H | -1.3707 | |
| 703 | L | H | 0.0000 | |
| 704 | V | H | 0.0000 | |
| 705 | A | H | -0.1277 | |
| 706 | L | H | 0.3538 | |
| 707 | A | H | 0.0000 | |
| 708 | C | H | 0.5281 | |
| 709 | L | H | 1.3862 | |
| 710 | G | H | 0.0673 | |
| 711 | G | H | -1.1191 | |
| 712 | R | H | -2.2117 | |
| 713 | P | H | -1.3107 | |
| 714 | A | H | -0.7858 | |
| 715 | L | H | 0.0000 | |
| 716 | D | H | -2.0718 | |
| 717 | A | H | -1.1327 | |
| 718 | V | H | -0.5242 | |
| 719 | K | H | -1.2520 | |
| 720 | K | H | -2.0974 | |
| 721 | L | H | -0.4162 | |
| 722 | E | H | -1.4801 | |
| 723 | H | H | -2.3109 | |
| 724 | H | H | -2.3388 | |
| 725 | H | H | -2.2967 | |
| 726 | H | H | -1.7355 |
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 | -0.5122 | 3.1358 | View | CSV | PDB |
| 4.5 | -0.5467 | 3.1132 | View | CSV | PDB |
| 5.0 | -0.5882 | 3.0956 | View | CSV | PDB |
| 5.5 | -0.6274 | 3.0956 | View | CSV | PDB |
| 6.0 | -0.6558 | 3.0956 | View | CSV | PDB |
| 6.5 | -0.6688 | 3.0956 | View | CSV | PDB |
| 7.0 | -0.6682 | 3.0956 | View | CSV | PDB |
| 7.5 | -0.6596 | 3.0956 | View | CSV | PDB |
| 8.0 | -0.6472 | 3.0956 | View | CSV | PDB |
| 8.5 | -0.6319 | 3.0956 | View | CSV | PDB |
| 9.0 | -0.6133 | 3.0956 | 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