| Chain sequence(s) |
A: GPQQQQMLALIDDELDAMDEDELQQLSRLIEKKKRARLQRGAASSGTSPSSTSPVYDLQRYTAESLRLAPYPADLKVPTAFPQDHQPRGRILLSHDELMHTDYLLHIRQQFDWLEEPLLRKLVVEKIFAVYNAPNLHTLLAIIDETLSYMKYHHLHGLPVNPHDPYLETVGGMRQLLFNKLNNLDLGCILDHQDGWGDHCSTLKRLVKKPGQMSAWLRDDVCDLQKRPPETFSQPMHRAMAYVCSFSRVAVSLRRRALQVTGTPQFFDQFDTNNAMGTYRCGAVSDLILGALQCHECQNEMCELRIQRALAPYRFMIAYCPFDEQSLLDLTVFAGTTTTTASNHATAGGQQRGGDQIHPTDEQYANMESRTDPATLTAYD
C: GPQQQQMLALIDDELDAMDEDELQQLSRLIEKKKRARLQRGAASSGTSPSSTSPVYDLQRYTAESLRLAPYPADLKVPTAFPQDHQPRGRILLSHDELMHTDYLLHIRQQFDWLEEPLLRKLVVEKIFAVYNAPNLHTLLAIIDETLSYMKYHHLHGLPVNPHDPYLETVGGMRQLLFNKLNNLDLGCILDHQDGWGDHCSTLKRLVKKPGQMSAWLRDDVCDLQKRPPETFSQPMHRAMAYVCSFSRVAVSLRRRALQVTGTPQFFDQFDTNNAMGTYRCGAVSDLILGALQCHECQNEMCELRIQRALAPYRFMIAYCPFDEQSLLDLTVFAGTTTTTASNHATAGGQQRGGDQIHPTDEQYANMESRTDPATLTAYD B: GPQQQQMLALIDDELDAMDEDELQQLSRLIEKKKRARLQRGAASSGTSPSSTSPVYDLQRYTAESLRLAPYPADLKVPTAFPQDHQPRGRILLSHDELMHTDYLLHIRQQFDWLEEPLLRKLVVEKIFAVYNAPNLHTLLAIIDETLSYMKYHHLHGLPVNPHDPYLETVGGMRQLLFNKLNNLDLGCILDHQDGWGDHCSTLKRLVKKPGQMSAWLRDDVCDLQKRPPETFSQPMHRAMAYVCSFSRVAVSLRRRALQVTGTPQFFDQFDTNNAMGTYRCGAVSDLILGALQCHECQNEMCELRIQRALAPYRFMIAYCPFDEQSLLDLTVFAGTTTTTASNHATAGGQQRGGDQIHPTDEQYANMESRTDPATLTAYD D: GPQQQQMLALIDDELDAMDEDELQQLSRLIEKKKRARLQRGAASSGTSPSSTSPVYDLQRYTAESLRLAPYPADLKVPTAFPQDHQPRGRILLSHDELMHTDYLLHIRQQFDWLEEPLLRKLVVEKIFAVYNAPNLHTLLAIIDETLSYMKYHHLHGLPVNPHDPYLETVGGMRQLLFNKLNNLDLGCILDHQDGWGDHCSTLKRLVKKPGQMSAWLRDDVCDLQKRPPETFSQPMHRAMAYVCSFSRVAVSLRRRALQVTGTPQFFDQFDTNNAMGTYRCGAVSDLILGALQCHECQNEMCELRIQRALAPYRFMIAYCPFDEQSLLDLTVFAGTTTTTASNHATAGGQQRGGDQIHPTDEQYANMESRTDPATLTAYD input PDB |
| Selected Chain(s) | A,B,C,D |
| 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] (00:00:02)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:02)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with all chain(s) selected (00:00:02)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:02)
[INFO] PDB-Info: The input structure is partially or entirely disordered. Average score is
recommended for pH analysis. (00:00:08)
[INFO] FoldX: Starting FoldX energy minimization (00:00:09)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:45:58)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/157306f0fa26da/tmp/folded.pdb (00:45:58)
[INFO] Main: Simulation completed successfully. (01:15:52)
|
The table below lists A4D score for protein residues. Residues with A4D score > 0.0000 are marked by yellow rows.
| residue index | residue name | chain | Aggrescan4D score | mutation |
|---|---|---|---|---|
| 200 | G | A | -1.1640 | |
| 201 | P | A | -1.3175 | |
| 202 | Q | A | -1.3220 | |
| 203 | Q | A | -1.7383 | |
| 204 | Q | A | -1.7015 | |
| 205 | Q | A | -1.6107 | |
| 206 | M | A | 0.0000 | |
| 207 | L | A | -1.0179 | |
| 208 | A | A | -1.6214 | |
| 209 | L | A | 0.0000 | |
| 210 | I | A | -1.8206 | |
| 211 | D | A | -2.9685 | |
| 212 | D | A | -3.1852 | |
| 213 | E | A | -3.2173 | |
| 214 | L | A | -1.3156 | |
| 215 | D | A | -0.9785 | |
| 216 | A | A | -0.3114 | |
| 217 | M | A | 0.0000 | |
| 218 | D | A | 0.0000 | |
| 219 | E | A | 0.0000 | |
| 220 | D | A | -0.3236 | |
| 221 | E | A | 0.0000 | |
| 222 | L | A | 0.0000 | |
| 223 | Q | A | -0.7601 | |
| 224 | Q | A | -1.2523 | |
| 225 | L | A | 0.0000 | |
| 226 | S | A | -1.6418 | |
| 227 | R | A | -2.9637 | |
| 228 | L | A | 0.0000 | |
| 229 | I | A | 0.0000 | |
| 230 | E | A | -3.5543 | |
| 231 | K | A | -3.7698 | |
| 232 | K | A | -2.6660 | |
| 233 | K | A | 0.0000 | |
| 234 | R | A | -3.5876 | |
| 235 | A | A | -2.8072 | |
| 236 | R | A | -2.8155 | |
| 237 | L | A | -2.1296 | |
| 238 | Q | A | -2.7016 | |
| 239 | R | A | -3.0088 | |
| 240 | G | A | -2.4196 | |
| 241 | A | A | -1.2233 | |
| 242 | A | A | -1.1825 | |
| 243 | S | A | -1.2673 | |
| 244 | S | A | -1.0932 | |
| 245 | G | A | -0.7901 | |
| 246 | T | A | -0.6611 | |
| 247 | S | A | -0.6229 | |
| 248 | P | A | -1.0297 | |
| 249 | S | A | -0.5686 | |
| 250 | S | A | -0.4028 | |
| 251 | T | A | -0.2599 | |
| 252 | S | A | -0.3324 | |
| 253 | P | A | -0.1009 | |
| 254 | V | A | 0.4604 | |
| 255 | Y | A | 0.1531 | |
| 256 | D | A | -0.7334 | |
| 257 | L | A | 0.0000 | |
| 258 | Q | A | -1.9883 | |
| 259 | R | A | -2.5733 | |
| 260 | Y | A | -1.5934 | |
| 261 | T | A | -1.5349 | |
| 262 | A | A | -1.7466 | |
| 263 | E | A | -2.7276 | |
| 264 | S | A | -1.8549 | |
| 265 | L | A | -1.6703 | |
| 266 | R | A | -2.6332 | |
| 267 | L | A | 0.0000 | |
| 268 | A | A | -0.9867 | |
| 269 | P | A | -0.6768 | |
| 270 | Y | A | 0.0264 | |
| 271 | P | A | -0.1360 | |
| 272 | A | A | -0.3889 | |
| 273 | D | A | -0.8844 | |
| 274 | L | A | 0.0000 | |
| 275 | K | A | 0.0000 | |
| 276 | V | A | 0.6673 | |
| 277 | P | A | 0.0000 | |
| 278 | T | A | 0.0000 | |
| 279 | A | A | 0.0000 | |
| 280 | F | A | 0.0000 | |
| 281 | P | A | 0.0000 | |
| 282 | Q | A | 0.0000 | |
| 283 | D | A | 0.0000 | |
| 284 | H | A | -0.1900 | |
| 285 | Q | A | 0.0000 | |
| 286 | P | A | -0.1558 | |
| 287 | R | A | 0.0000 | |
| 288 | G | A | 0.0000 | |
| 289 | R | A | -0.2566 | |
| 290 | I | A | 0.0000 | |
| 291 | L | A | 0.0000 | |
| 292 | L | A | 0.0000 | |
| 293 | S | A | -1.4634 | |
| 294 | H | A | 0.0000 | |
| 295 | D | A | -2.5657 | |
| 296 | E | A | -1.3880 | |
| 297 | L | A | 0.0000 | |
| 298 | M | A | 0.0000 | |
| 299 | H | A | -1.6422 | |
| 300 | T | A | 0.0000 | |
| 301 | D | A | -0.8192 | |
| 302 | Y | A | 0.0000 | |
| 303 | L | A | 0.0000 | |
| 304 | L | A | 0.0000 | |
| 305 | H | A | -0.3276 | |
| 306 | I | A | 0.0000 | |
| 307 | R | A | 0.0000 | |
| 308 | Q | A | 0.0000 | |
| 309 | Q | A | 0.0000 | |
| 310 | F | A | 0.0000 | |
| 311 | D | A | -0.7439 | |
| 312 | W | A | -0.4908 | |
| 313 | L | A | 0.0000 | |
| 314 | E | A | -1.8994 | |
| 315 | E | A | -2.2561 | |
| 316 | P | A | -1.4599 | |
| 317 | L | A | 0.0000 | |
| 318 | L | A | 0.0000 | |
| 319 | R | A | -0.8241 | |
| 320 | K | A | 0.0000 | |
| 321 | L | A | 0.0000 | |
| 322 | V | A | 0.0000 | |
| 323 | V | A | 0.0000 | |
| 324 | E | A | -0.2206 | |
| 325 | K | A | 0.0000 | |
| 326 | I | A | 0.0000 | |
| 327 | F | A | 0.0000 | |
| 328 | A | A | 0.0000 | |
| 329 | V | A | 0.0000 | |
| 330 | Y | A | 0.1301 | |
| 331 | N | A | 0.0000 | |
| 332 | A | A | 0.0000 | |
| 333 | P | A | 0.0403 | |
| 334 | N | A | 0.0000 | |
| 335 | L | A | 0.0000 | |
| 336 | H | A | 0.0000 | |
| 337 | T | A | 0.0000 | |
| 338 | L | A | 0.0000 | |
| 339 | L | A | 0.0000 | |
| 340 | A | A | 0.0000 | |
| 341 | I | A | 0.0000 | |
| 342 | I | A | 0.0000 | |
| 343 | D | A | 0.0000 | |
| 344 | E | A | 0.0000 | |
| 345 | T | A | 0.0000 | |
| 346 | L | A | 0.0000 | |
| 347 | S | A | 0.0000 | |
| 348 | Y | A | 0.0000 | |
| 349 | M | A | 0.0000 | |
| 350 | K | A | 0.0000 | |
| 351 | Y | A | 0.0000 | |
| 352 | H | A | 0.0000 | |
| 353 | H | A | -0.2849 | |
| 354 | L | A | 0.4634 | |
| 355 | H | A | 0.0068 | |
| 356 | G | A | -0.1449 | |
| 357 | L | A | 0.0000 | |
| 358 | P | A | 0.0000 | |
| 359 | V | A | 0.0000 | |
| 360 | N | A | 0.0000 | |
| 361 | P | A | 0.0000 | |
| 362 | H | A | -0.4426 | |
| 363 | D | A | 0.0000 | |
| 364 | P | A | 0.0000 | |
| 365 | Y | A | 0.0000 | |
| 366 | L | A | 0.0000 | |
| 367 | E | A | 0.0000 | |
| 368 | T | A | 0.0000 | |
| 369 | V | A | 0.0000 | |
| 370 | G | A | 0.0000 | |
| 371 | G | A | 0.0000 | |
| 372 | M | A | 0.0000 | |
| 373 | R | A | 0.0000 | |
| 374 | Q | A | 0.0000 | |
| 375 | L | A | 0.0000 | |
| 376 | L | A | 0.0000 | |
| 377 | F | A | 0.0000 | |
| 378 | N | A | -0.2956 | |
| 379 | K | A | -0.2686 | |
| 380 | L | A | 0.0000 | |
| 381 | N | A | 0.0000 | |
| 382 | N | A | 0.0000 | |
| 383 | L | A | 0.0000 | |
| 384 | D | A | -0.9261 | |
| 385 | L | A | 0.0000 | |
| 386 | G | A | 0.0000 | |
| 387 | C | A | -1.9318 | |
| 388 | I | A | 0.0000 | |
| 389 | L | A | 0.0000 | |
| 390 | D | A | -1.9192 | |
| 391 | H | A | -2.2901 | |
| 392 | Q | A | -2.6568 | |
| 393 | D | A | -2.9413 | |
| 394 | G | A | -1.5976 | |
| 395 | W | A | -1.2094 | |
| 396 | G | A | -1.7054 | |
| 397 | D | A | -2.1266 | |
| 398 | H | A | -1.6171 | |
| 399 | C | A | 0.0000 | |
| 400 | S | A | -0.8241 | |
| 401 | T | A | -0.9043 | |
| 402 | L | A | 0.0000 | |
| 403 | K | A | 0.0000 | |
| 404 | R | A | -0.8786 | |
| 405 | L | A | 0.0000 | |
| 406 | V | A | 0.0000 | |
| 407 | K | A | -0.7629 | |
| 408 | K | A | -0.8567 | |
| 409 | P | A | -0.9961 | |
| 410 | G | A | -0.7243 | |
| 411 | Q | A | -0.7726 | |
| 412 | M | A | 0.0000 | |
| 413 | S | A | -0.2517 | |
| 414 | A | A | -0.3134 | |
| 415 | W | A | 0.1911 | |
| 416 | L | A | -0.7787 | |
| 417 | R | A | -2.3209 | |
| 418 | D | A | -3.1962 | |
| 419 | D | A | -3.2450 | |
| 420 | V | A | 0.0000 | |
| 421 | C | A | -2.9383 | |
| 422 | D | A | -3.8200 | |
| 423 | L | A | 0.0000 | |
| 424 | Q | A | -2.6301 | |
| 425 | K | A | -3.0184 | |
| 426 | R | A | -2.5949 | |
| 427 | P | A | -1.7155 | |
| 428 | P | A | 0.0000 | |
| 429 | E | A | -1.4842 | |
| 430 | T | A | -0.9007 | |
| 431 | F | A | 0.0000 | |
| 432 | S | A | -0.6083 | |
| 433 | Q | A | -0.5876 | |
| 434 | P | A | -0.6487 | |
| 435 | M | A | 0.0000 | |
| 436 | H | A | 0.0000 | |
| 437 | R | A | -0.9448 | |
| 438 | A | A | 0.0000 | |
| 439 | M | A | 0.0000 | |
| 440 | A | A | 0.0000 | |
| 441 | Y | A | 0.0000 | |
| 442 | V | A | 0.0000 | |
| 443 | C | A | 0.0000 | |
| 444 | S | A | 0.0000 | |
| 445 | F | A | 0.0000 | |
| 446 | S | A | 0.0000 | |
| 447 | R | A | -1.7586 | |
| 448 | V | A | 0.0000 | |
| 449 | A | A | 0.0000 | |
| 450 | V | A | -1.0300 | |
| 451 | S | A | -1.4134 | |
| 452 | L | A | 0.0000 | |
| 453 | R | A | 0.0000 | |
| 454 | R | A | -1.9319 | |
| 455 | R | A | -2.2031 | |
| 456 | A | A | -0.7717 | |
| 457 | L | A | -0.1411 | |
| 458 | Q | A | -1.3353 | |
| 459 | V | A | -0.5429 | |
| 460 | T | A | -0.1824 | |
| 461 | G | A | -0.1887 | |
| 462 | T | A | -0.1190 | |
| 463 | P | A | 0.0586 | |
| 464 | Q | A | 0.0000 | |
| 465 | F | A | -0.3882 | |
| 466 | F | A | 0.0000 | |
| 467 | D | A | -2.2879 | |
| 468 | Q | A | -1.8059 | |
| 469 | F | A | -1.4174 | |
| 470 | D | A | 0.0000 | |
| 471 | T | A | -1.5788 | |
| 472 | N | A | -1.6052 | |
| 473 | N | A | -2.0787 | |
| 474 | A | A | 0.0000 | |
| 475 | M | A | 0.0000 | |
| 476 | G | A | -0.9264 | |
| 477 | T | A | -0.9855 | |
| 478 | Y | A | 0.0000 | |
| 479 | R | A | -1.9632 | |
| 480 | C | A | 0.0000 | |
| 481 | G | A | 0.0000 | |
| 482 | A | A | -1.2380 | |
| 483 | V | A | 0.0000 | |
| 484 | S | A | 0.0000 | |
| 485 | D | A | -1.9001 | |
| 486 | L | A | -0.7052 | |
| 487 | I | A | 0.0000 | |
| 488 | L | A | 0.0000 | |
| 489 | G | A | -0.5937 | |
| 490 | A | A | 0.0000 | |
| 491 | L | A | 0.0000 | |
| 492 | Q | A | -0.8389 | |
| 493 | C | A | -0.1658 | |
| 494 | H | A | -1.1146 | |
| 495 | E | A | -2.2518 | |
| 496 | C | A | -1.8887 | |
| 497 | Q | A | -2.0034 | |
| 498 | N | A | -1.8367 | |
| 499 | E | A | -1.5170 | |
| 500 | M | A | -0.8141 | |
| 501 | C | A | 0.0000 | |
| 502 | E | A | -1.9363 | |
| 503 | L | A | 0.0000 | |
| 504 | R | A | 0.0000 | |
| 505 | I | A | 0.0000 | |
| 506 | Q | A | 0.0000 | |
| 507 | R | A | 0.0000 | |
| 508 | A | A | 0.0000 | |
| 509 | L | A | 0.0000 | |
| 510 | A | A | 0.0000 | |
| 511 | P | A | 0.0000 | |
| 512 | Y | A | 0.0432 | |
| 513 | R | A | 0.0000 | |
| 514 | F | A | 0.0000 | |
| 515 | M | A | 0.0000 | |
| 516 | I | A | 0.0000 | |
| 517 | A | A | 0.0000 | |
| 518 | Y | A | 0.0000 | |
| 519 | C | A | 0.0000 | |
| 520 | P | A | 0.0000 | |
| 521 | F | A | -1.4939 | |
| 522 | D | A | -2.5623 | |
| 523 | E | A | -3.0319 | |
| 524 | Q | A | -2.2796 | |
| 525 | S | A | 0.0000 | |
| 526 | L | A | -0.7786 | |
| 527 | L | A | 0.0000 | |
| 528 | D | A | 0.0000 | |
| 529 | L | A | 0.0000 | |
| 530 | T | A | -0.0884 | |
| 531 | V | A | 0.0000 | |
| 532 | F | A | 0.0000 | |
| 533 | A | A | 0.0000 | |
| 534 | G | A | -0.4564 | |
| 535 | T | A | 0.0000 | |
| 536 | T | A | 0.0000 | |
| 537 | T | A | 0.0000 | |
| 538 | T | A | 0.0000 | |
| 539 | T | A | 0.0000 | |
| 540 | A | A | 0.0000 | |
| 541 | S | A | 0.0000 | |
| 542 | N | A | 0.0000 | |
| 543 | H | A | -0.4199 | |
| 544 | A | A | -0.7948 | |
| 545 | T | A | -0.9960 | |
| 546 | A | A | -1.0309 | |
| 547 | G | A | -1.3798 | |
| 548 | G | A | -2.0858 | |
| 549 | Q | A | -2.6600 | |
| 550 | Q | A | -3.1927 | |
| 551 | R | A | -3.4051 | |
| 552 | G | A | -2.7920 | |
| 553 | G | A | -2.5483 | |
| 554 | D | A | -3.1657 | |
| 555 | Q | A | -2.4669 | |
| 556 | I | A | -1.1852 | |
| 557 | H | A | -0.5825 | |
| 558 | P | A | 0.0000 | |
| 559 | T | A | -0.4977 | |
| 560 | D | A | -0.6794 | |
| 561 | E | A | -0.3407 | |
| 562 | Q | A | -0.5122 | |
| 563 | Y | A | 0.0000 | |
| 564 | A | A | 0.0000 | |
| 565 | N | A | 0.0000 | |
| 566 | M | A | 0.0000 | |
| 567 | E | A | 0.0000 | |
| 568 | S | A | 0.0000 | |
| 569 | R | A | 0.0000 | |
| 570 | T | A | 0.0000 | |
| 571 | D | A | 0.0000 | |
| 572 | P | A | 0.1635 | |
| 573 | A | A | 0.3226 | |
| 574 | T | A | 0.7523 | |
| 575 | L | A | 1.5205 | |
| 576 | T | A | 0.5686 | |
| 577 | A | A | 0.5817 | |
| 578 | Y | A | 0.8266 | |
| 579 | D | A | -0.9123 | |
| 200 | G | B | -1.2471 | |
| 201 | P | B | -1.4847 | |
| 202 | Q | B | -1.6666 | |
| 203 | Q | B | -1.7530 | |
| 204 | Q | B | -1.8920 | |
| 205 | Q | B | -1.9200 | |
| 206 | M | B | 0.0000 | |
| 207 | L | B | -1.2875 | |
| 208 | A | B | -1.7060 | |
| 209 | L | B | -1.4574 | |
| 210 | I | B | -1.8064 | |
| 211 | D | B | -2.9885 | |
| 212 | D | B | -3.1260 | |
| 213 | E | B | -3.1779 | |
| 214 | L | B | -1.1925 | |
| 215 | D | B | 0.0000 | |
| 216 | A | B | -0.0960 | |
| 217 | M | B | 0.0000 | |
| 218 | D | B | 0.0000 | |
| 219 | E | B | 0.0000 | |
| 220 | D | B | 0.0000 | |
| 221 | E | B | -0.5384 | |
| 222 | L | B | 0.0000 | |
| 223 | Q | B | 0.0000 | |
| 224 | Q | B | -0.8001 | |
| 225 | L | B | 0.0000 | |
| 226 | S | B | 0.0000 | |
| 227 | R | B | -1.4682 | |
| 228 | L | B | 0.0000 | |
| 229 | I | B | 0.0000 | |
| 230 | E | B | -2.2305 | |
| 231 | K | B | -2.8775 | |
| 232 | K | B | -2.0368 | |
| 233 | K | B | 0.0000 | |
| 234 | R | B | -3.2512 | |
| 235 | A | B | -2.5568 | |
| 236 | R | B | -2.5165 | |
| 237 | L | B | -1.9770 | |
| 238 | Q | B | -2.6246 | |
| 239 | R | B | -2.9266 | |
| 240 | G | B | -2.2817 | |
| 241 | A | B | -1.1707 | |
| 242 | A | B | -1.1521 | |
| 243 | S | B | -1.2417 | |
| 244 | S | B | -0.8970 | |
| 245 | G | B | -0.7842 | |
| 246 | T | B | -0.6530 | |
| 247 | S | B | -0.6237 | |
| 248 | P | B | -1.0050 | |
| 249 | S | B | -0.5688 | |
| 250 | S | B | -0.4025 | |
| 251 | T | B | -0.2851 | |
| 252 | S | B | -0.3208 | |
| 253 | P | B | -0.0578 | |
| 254 | V | B | 0.4860 | |
| 255 | Y | B | 0.1962 | |
| 256 | D | B | -0.7012 | |
| 257 | L | B | 0.0000 | |
| 258 | Q | B | -1.8665 | |
| 259 | R | B | -2.4956 | |
| 260 | Y | B | -1.5571 | |
| 261 | T | B | -1.4946 | |
| 262 | A | B | -1.6808 | |
| 263 | E | B | -2.7295 | |
| 264 | S | B | -1.8476 | |
| 265 | L | B | -1.6663 | |
| 266 | R | B | -2.6337 | |
| 267 | L | B | 0.0000 | |
| 268 | A | B | -0.9954 | |
| 269 | P | B | -0.6918 | |
| 270 | Y | B | 0.0148 | |
| 271 | P | B | -0.3311 | |
| 272 | A | B | -0.4328 | |
| 273 | D | B | -0.9304 | |
| 274 | L | B | 0.0000 | |
| 275 | K | B | 0.0000 | |
| 276 | V | B | 0.4736 | |
| 277 | P | B | 0.0000 | |
| 278 | T | B | 0.0000 | |
| 279 | A | B | 0.0000 | |
| 280 | F | B | 0.0000 | |
| 281 | P | B | 0.0271 | |
| 282 | Q | B | 0.0000 | |
| 283 | D | B | 0.0000 | |
| 284 | H | B | -0.1107 | |
| 285 | Q | B | 0.0000 | |
| 286 | P | B | -0.0846 | |
| 287 | R | B | 0.0000 | |
| 288 | G | B | 0.0000 | |
| 289 | R | B | -0.2332 | |
| 290 | I | B | 0.0000 | |
| 291 | L | B | 0.0000 | |
| 292 | L | B | 0.0000 | |
| 293 | S | B | -1.5102 | |
| 294 | H | B | 0.0000 | |
| 295 | D | B | -2.5686 | |
| 296 | E | B | -1.3941 | |
| 297 | L | B | 0.0000 | |
| 298 | M | B | 0.0000 | |
| 299 | H | B | -1.6358 | |
| 300 | T | B | 0.0000 | |
| 301 | D | B | -0.8250 | |
| 302 | Y | B | 0.0000 | |
| 303 | L | B | 0.0000 | |
| 304 | L | B | 0.0000 | |
| 305 | H | B | 0.0000 | |
| 306 | I | B | 0.0000 | |
| 307 | R | B | 0.0000 | |
| 308 | Q | B | 0.0000 | |
| 309 | Q | B | 0.0000 | |
| 310 | F | B | 0.0000 | |
| 311 | D | B | -0.7095 | |
| 312 | W | B | -0.4114 | |
| 313 | L | B | 0.0000 | |
| 314 | E | B | -2.0442 | |
| 315 | E | B | -2.4455 | |
| 316 | P | B | -1.4087 | |
| 317 | L | B | 0.0000 | |
| 318 | L | B | 0.0000 | |
| 319 | R | B | 0.0000 | |
| 320 | K | B | 0.0000 | |
| 321 | L | B | 0.0000 | |
| 322 | V | B | 0.0000 | |
| 323 | V | B | 0.0000 | |
| 324 | E | B | 0.0000 | |
| 325 | K | B | 0.0000 | |
| 326 | I | B | 0.0000 | |
| 327 | F | B | 0.0000 | |
| 328 | A | B | 0.0000 | |
| 329 | V | B | 0.0000 | |
| 330 | Y | B | 0.1365 | |
| 331 | N | B | 0.0000 | |
| 332 | A | B | 0.0000 | |
| 333 | P | B | 0.0322 | |
| 334 | N | B | 0.0000 | |
| 335 | L | B | 0.0000 | |
| 336 | H | B | 0.0000 | |
| 337 | T | B | 0.0000 | |
| 338 | L | B | 0.0000 | |
| 339 | L | B | 0.0000 | |
| 340 | A | B | 0.0000 | |
| 341 | I | B | 0.0000 | |
| 342 | I | B | 0.0000 | |
| 343 | D | B | 0.0000 | |
| 344 | E | B | 0.0000 | |
| 345 | T | B | 0.0000 | |
| 346 | L | B | 0.0000 | |
| 347 | S | B | 0.0000 | |
| 348 | Y | B | 0.0000 | |
| 349 | M | B | 0.0000 | |
| 350 | K | B | 0.0000 | |
| 351 | Y | B | 0.0000 | |
| 352 | H | B | 0.0000 | |
| 353 | H | B | -0.2728 | |
| 354 | L | B | 0.4945 | |
| 355 | H | B | 0.0199 | |
| 356 | G | B | -0.1408 | |
| 357 | L | B | 0.0000 | |
| 358 | P | B | 0.0000 | |
| 359 | V | B | 0.0000 | |
| 360 | N | B | 0.0000 | |
| 361 | P | B | 0.0000 | |
| 362 | H | B | -0.4670 | |
| 363 | D | B | 0.0000 | |
| 364 | P | B | 0.0000 | |
| 365 | Y | B | 0.0000 | |
| 366 | L | B | 0.0000 | |
| 367 | E | B | 0.0000 | |
| 368 | T | B | 0.0000 | |
| 369 | V | B | 0.0000 | |
| 370 | G | B | 0.0000 | |
| 371 | G | B | 0.0000 | |
| 372 | M | B | 0.0000 | |
| 373 | R | B | 0.0000 | |
| 374 | Q | B | 0.0000 | |
| 375 | L | B | 0.0000 | |
| 376 | L | B | 0.0000 | |
| 377 | F | B | 0.0000 | |
| 378 | N | B | -0.2975 | |
| 379 | K | B | -0.2738 | |
| 380 | L | B | 0.0000 | |
| 381 | N | B | 0.0000 | |
| 382 | N | B | 0.0000 | |
| 383 | L | B | 0.0000 | |
| 384 | D | B | -0.8160 | |
| 385 | L | B | 0.0000 | |
| 386 | G | B | 0.0000 | |
| 387 | C | B | -1.8139 | |
| 388 | I | B | 0.0000 | |
| 389 | L | B | 0.0000 | |
| 390 | D | B | -1.8497 | |
| 391 | H | B | -2.1806 | |
| 392 | Q | B | -2.4320 | |
| 393 | D | B | -2.9702 | |
| 394 | G | B | -1.4931 | |
| 395 | W | B | -1.1005 | |
| 396 | G | B | -1.7123 | |
| 397 | D | B | -2.1021 | |
| 398 | H | B | -1.6206 | |
| 399 | C | B | 0.0000 | |
| 400 | S | B | -1.0117 | |
| 401 | T | B | 0.0000 | |
| 402 | L | B | 0.0000 | |
| 403 | K | B | -0.6914 | |
| 404 | R | B | -0.9121 | |
| 405 | L | B | 0.0000 | |
| 406 | V | B | 0.0000 | |
| 407 | K | B | -0.8386 | |
| 408 | K | B | -0.8871 | |
| 409 | P | B | -1.0541 | |
| 410 | G | B | -0.7892 | |
| 411 | Q | B | -0.7972 | |
| 412 | M | B | 0.0000 | |
| 413 | S | B | -0.2514 | |
| 414 | A | B | -0.3053 | |
| 415 | W | B | 0.2211 | |
| 416 | L | B | -0.7212 | |
| 417 | R | B | -2.2824 | |
| 418 | D | B | -3.1210 | |
| 419 | D | B | -3.1421 | |
| 420 | V | B | 0.0000 | |
| 421 | C | B | -2.7670 | |
| 422 | D | B | -3.6423 | |
| 423 | L | B | -2.3476 | |
| 424 | Q | B | 0.0000 | |
| 425 | K | B | -2.8307 | |
| 426 | R | B | -2.4431 | |
| 427 | P | B | -1.6361 | |
| 428 | P | B | 0.0000 | |
| 429 | E | B | -1.4757 | |
| 430 | T | B | -0.8918 | |
| 431 | F | B | 0.0000 | |
| 432 | S | B | -0.6058 | |
| 433 | Q | B | -0.5865 | |
| 434 | P | B | -0.6774 | |
| 435 | M | B | 0.0000 | |
| 436 | H | B | 0.0000 | |
| 437 | R | B | -0.9398 | |
| 438 | A | B | 0.0000 | |
| 439 | M | B | 0.0000 | |
| 440 | A | B | 0.0000 | |
| 441 | Y | B | 0.0000 | |
| 442 | V | B | 0.0000 | |
| 443 | C | B | 0.0000 | |
| 444 | S | B | 0.0000 | |
| 445 | F | B | 0.0000 | |
| 446 | S | B | 0.0000 | |
| 447 | R | B | -0.4345 | |
| 448 | V | B | 0.0000 | |
| 449 | A | B | 0.0000 | |
| 450 | V | B | -0.5672 | |
| 451 | S | B | -1.0780 | |
| 452 | L | B | 0.0000 | |
| 453 | R | B | 0.0000 | |
| 454 | R | B | -2.0822 | |
| 455 | R | B | -2.2198 | |
| 456 | A | B | -0.8203 | |
| 457 | L | B | -0.2648 | |
| 458 | Q | B | -1.4011 | |
| 459 | V | B | -0.6009 | |
| 460 | T | B | -0.2052 | |
| 461 | G | B | -0.1981 | |
| 462 | T | B | -0.1060 | |
| 463 | P | B | 0.0792 | |
| 464 | Q | B | 0.0000 | |
| 465 | F | B | -0.3648 | |
| 466 | F | B | 0.0000 | |
| 467 | D | B | -2.2760 | |
| 468 | Q | B | -1.7976 | |
| 469 | F | B | -1.1792 | |
| 470 | D | B | 0.0000 | |
| 471 | T | B | -1.4237 | |
| 472 | N | B | -1.5486 | |
| 473 | N | B | -2.0668 | |
| 474 | A | B | 0.0000 | |
| 475 | M | B | 0.0000 | |
| 476 | G | B | -0.9304 | |
| 477 | T | B | -0.9920 | |
| 478 | Y | B | 0.0000 | |
| 479 | R | B | -2.0115 | |
| 480 | C | B | 0.0000 | |
| 481 | G | B | 0.0000 | |
| 482 | A | B | -1.3227 | |
| 483 | V | B | 0.0000 | |
| 484 | S | B | 0.0000 | |
| 485 | D | B | -2.1463 | |
| 486 | L | B | -0.8125 | |
| 487 | I | B | 0.0000 | |
| 488 | L | B | 0.0000 | |
| 489 | G | B | -0.8284 | |
| 490 | A | B | 0.0000 | |
| 491 | L | B | 0.0000 | |
| 492 | Q | B | -1.2984 | |
| 493 | C | B | -0.3934 | |
| 494 | H | B | -1.2024 | |
| 495 | E | B | -2.2801 | |
| 496 | C | B | -1.8595 | |
| 497 | Q | B | -2.1983 | |
| 498 | N | B | -1.8703 | |
| 499 | E | B | -1.6092 | |
| 500 | M | B | 0.0000 | |
| 501 | C | B | 0.0000 | |
| 502 | E | B | -1.8462 | |
| 503 | L | B | 0.0000 | |
| 504 | R | B | 0.0000 | |
| 505 | I | B | 0.0000 | |
| 506 | Q | B | -0.5308 | |
| 507 | R | B | 0.0000 | |
| 508 | A | B | 0.0000 | |
| 509 | L | B | 0.0000 | |
| 510 | A | B | 0.0000 | |
| 511 | P | B | 0.0000 | |
| 512 | Y | B | 0.0663 | |
| 513 | R | B | 0.0000 | |
| 514 | F | B | 0.0000 | |
| 515 | M | B | 0.0000 | |
| 516 | I | B | 0.0000 | |
| 517 | A | B | 0.0000 | |
| 518 | Y | B | 0.0000 | |
| 519 | C | B | 0.0000 | |
| 520 | P | B | 0.0000 | |
| 521 | F | B | -1.3797 | |
| 522 | D | B | -2.4288 | |
| 523 | E | B | -2.8772 | |
| 524 | Q | B | -2.0000 | |
| 525 | S | B | 0.0000 | |
| 526 | L | B | -0.6700 | |
| 527 | L | B | 0.0000 | |
| 528 | D | B | 0.0000 | |
| 529 | L | B | 0.0000 | |
| 530 | T | B | -0.0685 | |
| 531 | V | B | 0.0000 | |
| 532 | F | B | 0.0000 | |
| 533 | A | B | 0.0000 | |
| 534 | G | B | -0.3716 | |
| 535 | T | B | -0.2369 | |
| 536 | T | B | 0.0000 | |
| 537 | T | B | 0.0000 | |
| 538 | T | B | 0.0000 | |
| 539 | T | B | 0.0000 | |
| 540 | A | B | 0.0000 | |
| 541 | S | B | 0.0000 | |
| 542 | N | B | 0.0000 | |
| 543 | H | B | -0.5724 | |
| 544 | A | B | -0.4274 | |
| 545 | T | B | -0.8878 | |
| 546 | A | B | -0.8518 | |
| 547 | G | B | -1.5300 | |
| 548 | G | B | -1.9789 | |
| 549 | Q | B | -2.6723 | |
| 550 | Q | B | -3.0842 | |
| 551 | R | B | -3.4188 | |
| 552 | G | B | -2.8128 | |
| 553 | G | B | -2.5909 | |
| 554 | D | B | -3.1950 | |
| 555 | Q | B | -2.4282 | |
| 556 | I | B | -1.3693 | |
| 557 | H | B | -0.6839 | |
| 558 | P | B | 0.0000 | |
| 559 | T | B | -0.7049 | |
| 560 | D | B | -0.7929 | |
| 561 | E | B | -0.4693 | |
| 562 | Q | B | -0.6544 | |
| 563 | Y | B | 0.0000 | |
| 564 | A | B | 0.0000 | |
| 565 | N | B | 0.0000 | |
| 566 | M | B | 0.0000 | |
| 567 | E | B | 0.0000 | |
| 568 | S | B | 0.0000 | |
| 569 | R | B | 0.0000 | |
| 570 | T | B | 0.0000 | |
| 571 | D | B | 0.0000 | |
| 572 | P | B | 0.1796 | |
| 573 | A | B | 0.2960 | |
| 574 | T | B | 0.7739 | |
| 575 | L | B | 1.5073 | |
| 576 | T | B | 0.5720 | |
| 577 | A | B | 0.5834 | |
| 578 | Y | B | 0.8423 | |
| 579 | D | B | -0.9059 | |
| 200 | G | C | -1.1945 | |
| 201 | P | C | -1.3463 | |
| 202 | Q | C | -1.3802 | |
| 203 | Q | C | -1.7812 | |
| 204 | Q | C | -1.7037 | |
| 205 | Q | C | -1.5273 | |
| 206 | M | C | 0.0000 | |
| 207 | L | C | -1.0828 | |
| 208 | A | C | -1.5032 | |
| 209 | L | C | -1.3251 | |
| 210 | I | C | -1.6594 | |
| 211 | D | C | -2.8871 | |
| 212 | D | C | -3.1059 | |
| 213 | E | C | -3.0809 | |
| 214 | L | C | -1.0047 | |
| 215 | D | C | 0.0000 | |
| 216 | A | C | -0.0911 | |
| 217 | M | C | 0.0000 | |
| 218 | D | C | 0.0000 | |
| 219 | E | C | 0.0000 | |
| 220 | D | C | 0.0000 | |
| 221 | E | C | -0.6141 | |
| 222 | L | C | 0.0000 | |
| 223 | Q | C | -0.6875 | |
| 224 | Q | C | 0.0000 | |
| 225 | L | C | 0.0000 | |
| 226 | S | C | -1.3222 | |
| 227 | R | C | -2.5782 | |
| 228 | L | C | 0.0000 | |
| 229 | I | C | 0.0000 | |
| 230 | E | C | -2.6811 | |
| 231 | K | C | -3.2483 | |
| 232 | K | C | -2.2653 | |
| 233 | K | C | 0.0000 | |
| 234 | R | C | -3.3816 | |
| 235 | A | C | -2.7060 | |
| 236 | R | C | -2.8060 | |
| 237 | L | C | -2.2437 | |
| 238 | Q | C | -2.7751 | |
| 239 | R | C | -3.0776 | |
| 240 | G | C | -2.4907 | |
| 241 | A | C | -1.2724 | |
| 242 | A | C | -1.2027 | |
| 243 | S | C | -1.1959 | |
| 244 | S | C | -1.0878 | |
| 245 | G | C | -0.7884 | |
| 246 | T | C | -0.6576 | |
| 247 | S | C | -0.6196 | |
| 248 | P | C | -1.0264 | |
| 249 | S | C | -0.5698 | |
| 250 | S | C | -0.4052 | |
| 251 | T | C | -0.2643 | |
| 252 | S | C | -0.3249 | |
| 253 | P | C | -0.0968 | |
| 254 | V | C | 0.4801 | |
| 255 | Y | C | 0.2050 | |
| 256 | D | C | -0.7028 | |
| 257 | L | C | 0.0000 | |
| 258 | Q | C | -1.9678 | |
| 259 | R | C | -2.5581 | |
| 260 | Y | C | -1.5866 | |
| 261 | T | C | -1.5380 | |
| 262 | A | C | -1.6982 | |
| 263 | E | C | -2.7343 | |
| 264 | S | C | -1.8542 | |
| 265 | L | C | -1.6722 | |
| 266 | R | C | -2.6353 | |
| 267 | L | C | 0.0000 | |
| 268 | A | C | -0.9845 | |
| 269 | P | C | -0.6749 | |
| 270 | Y | C | 0.0428 | |
| 271 | P | C | -0.1079 | |
| 272 | A | C | -0.3650 | |
| 273 | D | C | -0.8416 | |
| 274 | L | C | 0.0000 | |
| 275 | K | C | 0.0000 | |
| 276 | V | C | 0.3048 | |
| 277 | P | C | 0.0000 | |
| 278 | T | C | 0.0000 | |
| 279 | A | C | 0.0000 | |
| 280 | F | C | 0.0000 | |
| 281 | P | C | 0.0067 | |
| 282 | Q | C | 0.0000 | |
| 283 | D | C | 0.0000 | |
| 284 | H | C | -0.1499 | |
| 285 | Q | C | 0.0000 | |
| 286 | P | C | -0.0953 | |
| 287 | R | C | 0.0000 | |
| 288 | G | C | 0.0000 | |
| 289 | R | C | -0.2450 | |
| 290 | I | C | 0.0000 | |
| 291 | L | C | 0.0000 | |
| 292 | L | C | 0.0000 | |
| 293 | S | C | -1.4888 | |
| 294 | H | C | 0.0000 | |
| 295 | D | C | -2.5540 | |
| 296 | E | C | -1.3791 | |
| 297 | L | C | 0.0000 | |
| 298 | M | C | 0.0000 | |
| 299 | H | C | -1.6168 | |
| 300 | T | C | 0.0000 | |
| 301 | D | C | -0.8196 | |
| 302 | Y | C | 0.0000 | |
| 303 | L | C | 0.0000 | |
| 304 | L | C | 0.0000 | |
| 305 | H | C | 0.0000 | |
| 306 | I | C | 0.0000 | |
| 307 | R | C | 0.0000 | |
| 308 | Q | C | 0.0000 | |
| 309 | Q | C | 0.0000 | |
| 310 | F | C | 0.0000 | |
| 311 | D | C | -0.7839 | |
| 312 | W | C | -0.4331 | |
| 313 | L | C | 0.0000 | |
| 314 | E | C | -2.2489 | |
| 315 | E | C | -2.6336 | |
| 316 | P | C | -1.4433 | |
| 317 | L | C | 0.0000 | |
| 318 | L | C | 0.0000 | |
| 319 | R | C | -0.9164 | |
| 320 | K | C | 0.0000 | |
| 321 | L | C | 0.0000 | |
| 322 | V | C | 0.0000 | |
| 323 | V | C | 0.0000 | |
| 324 | E | C | 0.0000 | |
| 325 | K | C | 0.0000 | |
| 326 | I | C | 0.0000 | |
| 327 | F | C | 0.0000 | |
| 328 | A | C | 0.0000 | |
| 329 | V | C | 0.0000 | |
| 330 | Y | C | 0.1283 | |
| 331 | N | C | 0.0000 | |
| 332 | A | C | 0.0000 | |
| 333 | P | C | 0.0623 | |
| 334 | N | C | 0.0000 | |
| 335 | L | C | 0.0000 | |
| 336 | H | C | 0.0000 | |
| 337 | T | C | 0.0000 | |
| 338 | L | C | 0.0000 | |
| 339 | L | C | 0.0000 | |
| 340 | A | C | 0.0000 | |
| 341 | I | C | 0.0000 | |
| 342 | I | C | 0.0000 | |
| 343 | D | C | 0.0000 | |
| 344 | E | C | 0.0000 | |
| 345 | T | C | 0.0000 | |
| 346 | L | C | 0.0000 | |
| 347 | S | C | 0.0000 | |
| 348 | Y | C | 0.0000 | |
| 349 | M | C | 0.0000 | |
| 350 | K | C | 0.0000 | |
| 351 | Y | C | 0.0000 | |
| 352 | H | C | 0.0000 | |
| 353 | H | C | -0.2961 | |
| 354 | L | C | 0.4967 | |
| 355 | H | C | 0.0194 | |
| 356 | G | C | -0.1446 | |
| 357 | L | C | 0.0000 | |
| 358 | P | C | 0.0000 | |
| 359 | V | C | 0.0000 | |
| 360 | N | C | 0.0000 | |
| 361 | P | C | -0.1834 | |
| 362 | H | C | 0.0000 | |
| 363 | D | C | 0.0000 | |
| 364 | P | C | 0.0000 | |
| 365 | Y | C | 0.0000 | |
| 366 | L | C | 0.0000 | |
| 367 | E | C | 0.0000 | |
| 368 | T | C | 0.0000 | |
| 369 | V | C | 0.0000 | |
| 370 | G | C | 0.0000 | |
| 371 | G | C | 0.0000 | |
| 372 | M | C | 0.0000 | |
| 373 | R | C | -0.4636 | |
| 374 | Q | C | 0.0000 | |
| 375 | L | C | 0.0000 | |
| 376 | L | C | 0.0000 | |
| 377 | F | C | 0.0000 | |
| 378 | N | C | -0.3112 | |
| 379 | K | C | -0.2534 | |
| 380 | L | C | 0.0000 | |
| 381 | N | C | 0.0000 | |
| 382 | N | C | 0.0000 | |
| 383 | L | C | 0.0000 | |
| 384 | D | C | -0.8734 | |
| 385 | L | C | 0.0000 | |
| 386 | G | C | 0.0000 | |
| 387 | C | C | -1.8576 | |
| 388 | I | C | 0.0000 | |
| 389 | L | C | 0.0000 | |
| 390 | D | C | -1.8681 | |
| 391 | H | C | -2.2078 | |
| 392 | Q | C | -2.4900 | |
| 393 | D | C | -2.8694 | |
| 394 | G | C | -1.5566 | |
| 395 | W | C | -1.2671 | |
| 396 | G | C | -1.7364 | |
| 397 | D | C | -2.1105 | |
| 398 | H | C | -1.6264 | |
| 399 | C | C | 0.0000 | |
| 400 | S | C | -1.0365 | |
| 401 | T | C | 0.0000 | |
| 402 | L | C | 0.0000 | |
| 403 | K | C | -0.7419 | |
| 404 | R | C | -1.0060 | |
| 405 | L | C | 0.0000 | |
| 406 | V | C | 0.0000 | |
| 407 | K | C | -0.8812 | |
| 408 | K | C | -0.9026 | |
| 409 | P | C | -1.0018 | |
| 410 | G | C | -0.7342 | |
| 411 | Q | C | -0.7445 | |
| 412 | M | C | 0.0000 | |
| 413 | S | C | -0.1666 | |
| 414 | A | C | -0.2879 | |
| 415 | W | C | 0.1820 | |
| 416 | L | C | -0.8165 | |
| 417 | R | C | -2.3698 | |
| 418 | D | C | -3.2258 | |
| 419 | D | C | -3.2798 | |
| 420 | V | C | 0.0000 | |
| 421 | C | C | -2.9531 | |
| 422 | D | C | -3.8045 | |
| 423 | L | C | 0.0000 | |
| 424 | Q | C | -2.6070 | |
| 425 | K | C | -2.9795 | |
| 426 | R | C | -2.5073 | |
| 427 | P | C | -1.6693 | |
| 428 | P | C | 0.0000 | |
| 429 | E | C | -1.4534 | |
| 430 | T | C | -0.8757 | |
| 431 | F | C | 0.0000 | |
| 432 | S | C | -0.6078 | |
| 433 | Q | C | -0.5911 | |
| 434 | P | C | -0.6837 | |
| 435 | M | C | 0.0000 | |
| 436 | H | C | 0.0000 | |
| 437 | R | C | -0.9299 | |
| 438 | A | C | 0.0000 | |
| 439 | M | C | 0.0000 | |
| 440 | A | C | 0.0000 | |
| 441 | Y | C | 0.0000 | |
| 442 | V | C | 0.0000 | |
| 443 | C | C | 0.0000 | |
| 444 | S | C | -1.2743 | |
| 445 | F | C | 0.0000 | |
| 446 | S | C | 0.0000 | |
| 447 | R | C | -1.8045 | |
| 448 | V | C | 0.0000 | |
| 449 | A | C | 0.0000 | |
| 450 | V | C | -1.0978 | |
| 451 | S | C | -1.5052 | |
| 452 | L | C | 0.0000 | |
| 453 | R | C | 0.0000 | |
| 454 | R | C | -2.1407 | |
| 455 | R | C | -2.2583 | |
| 456 | A | C | -0.7623 | |
| 457 | L | C | -0.0846 | |
| 458 | Q | C | -1.3241 | |
| 459 | V | C | -0.5333 | |
| 460 | T | C | -0.1435 | |
| 461 | G | C | -0.1697 | |
| 462 | T | C | -0.1108 | |
| 463 | P | C | 0.0720 | |
| 464 | Q | C | 0.0000 | |
| 465 | F | C | -0.4055 | |
| 466 | F | C | 0.0000 | |
| 467 | D | C | -2.3428 | |
| 468 | Q | C | -1.8507 | |
| 469 | F | C | -1.4922 | |
| 470 | D | C | -1.7224 | |
| 471 | T | C | -1.6508 | |
| 472 | N | C | -1.6334 | |
| 473 | N | C | -2.1236 | |
| 474 | A | C | 0.0000 | |
| 475 | M | C | 0.0000 | |
| 476 | G | C | -0.9415 | |
| 477 | T | C | -0.9784 | |
| 478 | Y | C | 0.0000 | |
| 479 | R | C | -1.9792 | |
| 480 | C | C | 0.0000 | |
| 481 | G | C | 0.0000 | |
| 482 | A | C | -1.1441 | |
| 483 | V | C | 0.0000 | |
| 484 | S | C | 0.0000 | |
| 485 | D | C | -2.1927 | |
| 486 | L | C | -0.8320 | |
| 487 | I | C | 0.0000 | |
| 488 | L | C | 0.0000 | |
| 489 | G | C | -0.8437 | |
| 490 | A | C | 0.0000 | |
| 491 | L | C | 0.0000 | |
| 492 | Q | C | -1.3310 | |
| 493 | C | C | -0.3949 | |
| 494 | H | C | -1.2436 | |
| 495 | E | C | -2.3086 | |
| 496 | C | C | -1.9095 | |
| 497 | Q | C | -2.0544 | |
| 498 | N | C | -1.9396 | |
| 499 | E | C | -1.8225 | |
| 500 | M | C | 0.0000 | |
| 501 | C | C | 0.0000 | |
| 502 | E | C | -2.1163 | |
| 503 | L | C | 0.0000 | |
| 504 | R | C | 0.0000 | |
| 505 | I | C | 0.0000 | |
| 506 | Q | C | -0.5193 | |
| 507 | R | C | 0.0000 | |
| 508 | A | C | 0.0000 | |
| 509 | L | C | 0.1217 | |
| 510 | A | C | 0.0000 | |
| 511 | P | C | 0.0000 | |
| 512 | Y | C | 0.0933 | |
| 513 | R | C | 0.0000 | |
| 514 | F | C | 0.0000 | |
| 515 | M | C | 0.0000 | |
| 516 | I | C | 0.0000 | |
| 517 | A | C | 0.0000 | |
| 518 | Y | C | 0.0000 | |
| 519 | C | C | 0.0000 | |
| 520 | P | C | 0.0000 | |
| 521 | F | C | -1.4630 | |
| 522 | D | C | -2.5146 | |
| 523 | E | C | -2.9870 | |
| 524 | Q | C | -2.1901 | |
| 525 | S | C | 0.0000 | |
| 526 | L | C | -0.7729 | |
| 527 | L | C | 0.0000 | |
| 528 | D | C | 0.0000 | |
| 529 | L | C | 0.0000 | |
| 530 | T | C | -0.1037 | |
| 531 | V | C | 0.0000 | |
| 532 | F | C | 0.0000 | |
| 533 | A | C | 0.0000 | |
| 534 | G | C | -0.4119 | |
| 535 | T | C | 0.0000 | |
| 536 | T | C | 0.0000 | |
| 537 | T | C | 0.0000 | |
| 538 | T | C | 0.0000 | |
| 539 | T | C | 0.0000 | |
| 540 | A | C | 0.0000 | |
| 541 | S | C | 0.0000 | |
| 542 | N | C | 0.0000 | |
| 543 | H | C | -0.3830 | |
| 544 | A | C | -0.2391 | |
| 545 | T | C | -0.7650 | |
| 546 | A | C | -0.8269 | |
| 547 | G | C | -1.4882 | |
| 548 | G | C | -1.8366 | |
| 549 | Q | C | -2.6634 | |
| 550 | Q | C | -3.0887 | |
| 551 | R | C | -3.4126 | |
| 552 | G | C | -2.7098 | |
| 553 | G | C | -2.3306 | |
| 554 | D | C | -2.7466 | |
| 555 | Q | C | -1.5515 | |
| 556 | I | C | -0.7561 | |
| 557 | H | C | -0.3205 | |
| 558 | P | C | 0.0000 | |
| 559 | T | C | -0.5512 | |
| 560 | D | C | -0.7183 | |
| 561 | E | C | -0.3081 | |
| 562 | Q | C | -0.5480 | |
| 563 | Y | C | 0.0000 | |
| 564 | A | C | 0.0000 | |
| 565 | N | C | 0.0000 | |
| 566 | M | C | 0.0000 | |
| 567 | E | C | 0.0000 | |
| 568 | S | C | 0.0000 | |
| 569 | R | C | 0.0000 | |
| 570 | T | C | -0.1781 | |
| 571 | D | C | 0.0000 | |
| 572 | P | C | 0.0356 | |
| 573 | A | C | 0.2246 | |
| 574 | T | C | 0.6027 | |
| 575 | L | C | 1.1959 | |
| 576 | T | C | 0.4174 | |
| 577 | A | C | 0.4799 | |
| 578 | Y | C | 0.7537 | |
| 579 | D | C | -0.9628 | |
| 200 | G | D | -1.2552 | |
| 201 | P | D | -1.5337 | |
| 202 | Q | D | -1.7065 | |
| 203 | Q | D | -1.6978 | |
| 204 | Q | D | -1.7321 | |
| 205 | Q | D | -1.5312 | |
| 206 | M | D | 0.0000 | |
| 207 | L | D | -1.0938 | |
| 208 | A | D | -1.5114 | |
| 209 | L | D | -1.2906 | |
| 210 | I | D | -1.7163 | |
| 211 | D | D | -2.8987 | |
| 212 | D | D | -3.0931 | |
| 213 | E | D | -3.0874 | |
| 214 | L | D | -1.1823 | |
| 215 | D | D | -0.8964 | |
| 216 | A | D | 0.0000 | |
| 217 | M | D | 0.0000 | |
| 218 | D | D | 0.0000 | |
| 219 | E | D | 0.0000 | |
| 220 | D | D | -0.3658 | |
| 221 | E | D | 0.0000 | |
| 222 | L | D | 0.0000 | |
| 223 | Q | D | -0.5151 | |
| 224 | Q | D | -0.9076 | |
| 225 | L | D | 0.0000 | |
| 226 | S | D | 0.0000 | |
| 227 | R | D | -1.3965 | |
| 228 | L | D | 0.0000 | |
| 229 | I | D | 0.0000 | |
| 230 | E | D | -2.0969 | |
| 231 | K | D | -2.7414 | |
| 232 | K | D | -1.9547 | |
| 233 | K | D | 0.0000 | |
| 234 | R | D | -3.1984 | |
| 235 | A | D | -2.5194 | |
| 236 | R | D | -2.4601 | |
| 237 | L | D | -1.9340 | |
| 238 | Q | D | -2.6160 | |
| 239 | R | D | -2.9122 | |
| 240 | G | D | -2.2459 | |
| 241 | A | D | -1.1581 | |
| 242 | A | D | -1.1424 | |
| 243 | S | D | -1.2283 | |
| 244 | S | D | -1.0827 | |
| 245 | G | D | -0.7814 | |
| 246 | T | D | -0.6503 | |
| 247 | S | D | -0.6214 | |
| 248 | P | D | -1.0159 | |
| 249 | S | D | -0.5697 | |
| 250 | S | D | -0.3882 | |
| 251 | T | D | -0.2685 | |
| 252 | S | D | -0.2639 | |
| 253 | P | D | -0.0040 | |
| 254 | V | D | 0.6491 | |
| 255 | Y | D | 0.3300 | |
| 256 | D | D | -0.5857 | |
| 257 | L | D | 0.0000 | |
| 258 | Q | D | -1.7206 | |
| 259 | R | D | -2.4547 | |
| 260 | Y | D | -1.5228 | |
| 261 | T | D | -1.4644 | |
| 262 | A | D | -1.6799 | |
| 263 | E | D | -2.7319 | |
| 264 | S | D | -1.8541 | |
| 265 | L | D | -1.6784 | |
| 266 | R | D | -2.6399 | |
| 267 | L | D | 0.0000 | |
| 268 | A | D | -0.9942 | |
| 269 | P | D | -0.6835 | |
| 270 | Y | D | -0.0008 | |
| 271 | P | D | -0.1695 | |
| 272 | A | D | -0.4647 | |
| 273 | D | D | -0.9783 | |
| 274 | L | D | 0.0000 | |
| 275 | K | D | 0.0000 | |
| 276 | V | D | 0.2487 | |
| 277 | P | D | 0.0000 | |
| 278 | T | D | 0.0000 | |
| 279 | A | D | 0.0000 | |
| 280 | F | D | 0.0000 | |
| 281 | P | D | -0.0113 | |
| 282 | Q | D | 0.0000 | |
| 283 | D | D | 0.0000 | |
| 284 | H | D | 0.0000 | |
| 285 | Q | D | 0.0000 | |
| 286 | P | D | -0.1374 | |
| 287 | R | D | 0.0000 | |
| 288 | G | D | 0.0000 | |
| 289 | R | D | -0.2902 | |
| 290 | I | D | 0.0000 | |
| 291 | L | D | 0.0000 | |
| 292 | L | D | 0.0000 | |
| 293 | S | D | -1.4898 | |
| 294 | H | D | 0.0000 | |
| 295 | D | D | -2.5678 | |
| 296 | E | D | -1.3903 | |
| 297 | L | D | 0.0000 | |
| 298 | M | D | 0.0000 | |
| 299 | H | D | -1.6556 | |
| 300 | T | D | 0.0000 | |
| 301 | D | D | -0.8165 | |
| 302 | Y | D | 0.0000 | |
| 303 | L | D | 0.0000 | |
| 304 | L | D | 0.0000 | |
| 305 | H | D | 0.0000 | |
| 306 | I | D | 0.0000 | |
| 307 | R | D | 0.0000 | |
| 308 | Q | D | 0.0000 | |
| 309 | Q | D | 0.0000 | |
| 310 | F | D | 0.0000 | |
| 311 | D | D | -0.6278 | |
| 312 | W | D | -0.3147 | |
| 313 | L | D | 0.0000 | |
| 314 | E | D | -1.8385 | |
| 315 | E | D | -1.9953 | |
| 316 | P | D | -1.2345 | |
| 317 | L | D | 0.0000 | |
| 318 | L | D | 0.0000 | |
| 319 | R | D | -0.7613 | |
| 320 | K | D | 0.0000 | |
| 321 | L | D | 0.0000 | |
| 322 | V | D | 0.0000 | |
| 323 | V | D | 0.0000 | |
| 324 | E | D | -0.2082 | |
| 325 | K | D | 0.0000 | |
| 326 | I | D | 0.0000 | |
| 327 | F | D | 0.0000 | |
| 328 | A | D | 0.0000 | |
| 329 | V | D | 0.0000 | |
| 330 | Y | D | 0.1601 | |
| 331 | N | D | 0.0000 | |
| 332 | A | D | 0.0000 | |
| 333 | P | D | 0.0546 | |
| 334 | N | D | 0.0000 | |
| 335 | L | D | 0.0000 | |
| 336 | H | D | 0.0000 | |
| 337 | T | D | 0.0000 | |
| 338 | L | D | 0.0000 | |
| 339 | L | D | 0.0000 | |
| 340 | A | D | 0.0000 | |
| 341 | I | D | 0.0000 | |
| 342 | I | D | 0.0000 | |
| 343 | D | D | 0.0000 | |
| 344 | E | D | 0.0000 | |
| 345 | T | D | 0.0000 | |
| 346 | L | D | 0.0000 | |
| 347 | S | D | 0.0000 | |
| 348 | Y | D | 0.0000 | |
| 349 | M | D | 0.0000 | |
| 350 | K | D | 0.0000 | |
| 351 | Y | D | 0.0000 | |
| 352 | H | D | 0.0000 | |
| 353 | H | D | -0.3128 | |
| 354 | L | D | 0.4499 | |
| 355 | H | D | -0.0112 | |
| 356 | G | D | -0.1673 | |
| 357 | L | D | 0.0000 | |
| 358 | P | D | 0.0000 | |
| 359 | V | D | 0.0000 | |
| 360 | N | D | 0.0000 | |
| 361 | P | D | -0.1360 | |
| 362 | H | D | 0.0000 | |
| 363 | D | D | 0.0000 | |
| 364 | P | D | 0.0000 | |
| 365 | Y | D | 0.0000 | |
| 366 | L | D | 0.0000 | |
| 367 | E | D | 0.0000 | |
| 368 | T | D | 0.0000 | |
| 369 | V | D | 0.0000 | |
| 370 | G | D | 0.0000 | |
| 371 | G | D | 0.0000 | |
| 372 | M | D | 0.0000 | |
| 373 | R | D | -0.2445 | |
| 374 | Q | D | 0.0000 | |
| 375 | L | D | 0.0080 | |
| 376 | L | D | 0.0000 | |
| 377 | F | D | 0.0000 | |
| 378 | N | D | -0.2996 | |
| 379 | K | D | -0.3023 | |
| 380 | L | D | 0.0000 | |
| 381 | N | D | -0.4029 | |
| 382 | N | D | -0.3200 | |
| 383 | L | D | 0.0000 | |
| 384 | D | D | -1.0016 | |
| 385 | L | D | 0.0000 | |
| 386 | G | D | 0.0000 | |
| 387 | C | D | -1.9650 | |
| 388 | I | D | 0.0000 | |
| 389 | L | D | 0.0000 | |
| 390 | D | D | -1.8942 | |
| 391 | H | D | -2.2796 | |
| 392 | Q | D | -2.6379 | |
| 393 | D | D | -2.9401 | |
| 394 | G | D | -1.5633 | |
| 395 | W | D | -1.3261 | |
| 396 | G | D | -1.7932 | |
| 397 | D | D | -2.1059 | |
| 398 | H | D | -1.6010 | |
| 399 | C | D | 0.0000 | |
| 400 | S | D | -0.8454 | |
| 401 | T | D | -0.8624 | |
| 402 | L | D | 0.0000 | |
| 403 | K | D | 0.0000 | |
| 404 | R | D | -0.8230 | |
| 405 | L | D | 0.0000 | |
| 406 | V | D | 0.0000 | |
| 407 | K | D | -0.7314 | |
| 408 | K | D | -0.8441 | |
| 409 | P | D | -1.0123 | |
| 410 | G | D | -0.7279 | |
| 411 | Q | D | -0.7941 | |
| 412 | M | D | 0.0000 | |
| 413 | S | D | -0.2661 | |
| 414 | A | D | -0.3256 | |
| 415 | W | D | 0.1747 | |
| 416 | L | D | -0.8173 | |
| 417 | R | D | -2.3152 | |
| 418 | D | D | -3.1783 | |
| 419 | D | D | -3.2077 | |
| 420 | V | D | 0.0000 | |
| 421 | C | D | -2.8566 | |
| 422 | D | D | -3.7009 | |
| 423 | L | D | -2.4251 | |
| 424 | Q | D | -2.3194 | |
| 425 | K | D | -2.8335 | |
| 426 | R | D | -2.4129 | |
| 427 | P | D | -1.5850 | |
| 428 | P | D | 0.0000 | |
| 429 | E | D | -1.4491 | |
| 430 | T | D | -0.8747 | |
| 431 | F | D | 0.0000 | |
| 432 | S | D | -0.6045 | |
| 433 | Q | D | -0.5856 | |
| 434 | P | D | -0.6834 | |
| 435 | M | D | 0.0000 | |
| 436 | H | D | 0.0000 | |
| 437 | R | D | -0.9329 | |
| 438 | A | D | 0.0000 | |
| 439 | M | D | 0.0000 | |
| 440 | A | D | 0.0000 | |
| 441 | Y | D | 0.0000 | |
| 442 | V | D | 0.0000 | |
| 443 | C | D | 0.0000 | |
| 444 | S | D | 0.0000 | |
| 445 | F | D | 0.0000 | |
| 446 | S | D | 0.0000 | |
| 447 | R | D | -0.5532 | |
| 448 | V | D | 0.0000 | |
| 449 | A | D | 0.0000 | |
| 450 | V | D | -0.5921 | |
| 451 | S | D | -1.1107 | |
| 452 | L | D | 0.0000 | |
| 453 | R | D | 0.0000 | |
| 454 | R | D | -1.9567 | |
| 455 | R | D | -2.0857 | |
| 456 | A | D | -0.6127 | |
| 457 | L | D | 0.0460 | |
| 458 | Q | D | -1.1967 | |
| 459 | V | D | -0.3668 | |
| 460 | T | D | -0.0406 | |
| 461 | G | D | -0.0903 | |
| 462 | T | D | -0.0205 | |
| 463 | P | D | 0.1659 | |
| 464 | Q | D | 0.0000 | |
| 465 | F | D | -0.3927 | |
| 466 | F | D | 0.0000 | |
| 467 | D | D | -2.3651 | |
| 468 | Q | D | -1.8832 | |
| 469 | F | D | -1.3345 | |
| 470 | D | D | -1.5324 | |
| 471 | T | D | -1.4652 | |
| 472 | N | D | 0.0000 | |
| 473 | N | D | -2.0580 | |
| 474 | A | D | 0.0000 | |
| 475 | M | D | 0.0000 | |
| 476 | G | D | -0.9268 | |
| 477 | T | D | -0.9612 | |
| 478 | Y | D | 0.0000 | |
| 479 | R | D | -1.9849 | |
| 480 | C | D | 0.0000 | |
| 481 | G | D | 0.0000 | |
| 482 | A | D | -1.3327 | |
| 483 | V | D | 0.0000 | |
| 484 | S | D | 0.0000 | |
| 485 | D | D | -2.1845 | |
| 486 | L | D | -0.8317 | |
| 487 | I | D | 0.0000 | |
| 488 | L | D | 0.0000 | |
| 489 | G | D | -0.8181 | |
| 490 | A | D | 0.0000 | |
| 491 | L | D | 0.0000 | |
| 492 | Q | D | -1.2815 | |
| 493 | C | D | -0.3792 | |
| 494 | H | D | -1.2912 | |
| 495 | E | D | -2.3927 | |
| 496 | C | D | -1.9953 | |
| 497 | Q | D | -2.1657 | |
| 498 | N | D | -2.0058 | |
| 499 | E | D | -1.7127 | |
| 500 | M | D | 0.0000 | |
| 501 | C | D | 0.0000 | |
| 502 | E | D | -2.3805 | |
| 503 | L | D | 0.0000 | |
| 504 | R | D | 0.0000 | |
| 505 | I | D | -0.6713 | |
| 506 | Q | D | -0.5544 | |
| 507 | R | D | 0.0000 | |
| 508 | A | D | 0.0000 | |
| 509 | L | D | 0.1535 | |
| 510 | A | D | 0.0000 | |
| 511 | P | D | 0.0000 | |
| 512 | Y | D | 0.0977 | |
| 513 | R | D | 0.0000 | |
| 514 | F | D | 0.0000 | |
| 515 | M | D | 0.0000 | |
| 516 | I | D | 0.0000 | |
| 517 | A | D | 0.0000 | |
| 518 | Y | D | 0.0000 | |
| 519 | C | D | 0.0000 | |
| 520 | P | D | 0.0000 | |
| 521 | F | D | -1.4556 | |
| 522 | D | D | -2.5290 | |
| 523 | E | D | -3.0157 | |
| 524 | Q | D | -2.2690 | |
| 525 | S | D | 0.0000 | |
| 526 | L | D | -0.8070 | |
| 527 | L | D | 0.0000 | |
| 528 | D | D | 0.0000 | |
| 529 | L | D | 0.0000 | |
| 530 | T | D | -0.0680 | |
| 531 | V | D | 0.0000 | |
| 532 | F | D | 0.0000 | |
| 533 | A | D | 0.0000 | |
| 534 | G | D | -0.3684 | |
| 535 | T | D | 0.0000 | |
| 536 | T | D | 0.0000 | |
| 537 | T | D | 0.0000 | |
| 538 | T | D | 0.0000 | |
| 539 | T | D | 0.0000 | |
| 540 | A | D | 0.0000 | |
| 541 | S | D | 0.0000 | |
| 542 | N | D | 0.0000 | |
| 543 | H | D | -0.4922 | |
| 544 | A | D | -0.7858 | |
| 545 | T | D | -0.7488 | |
| 546 | A | D | -0.9026 | |
| 547 | G | D | -1.1443 | |
| 548 | G | D | -2.0081 | |
| 549 | Q | D | -2.6352 | |
| 550 | Q | D | -3.0436 | |
| 551 | R | D | -3.3449 | |
| 552 | G | D | -2.7008 | |
| 553 | G | D | -2.5049 | |
| 554 | D | D | -3.1208 | |
| 555 | Q | D | -2.2534 | |
| 556 | I | D | -1.2312 | |
| 557 | H | D | -0.5531 | |
| 558 | P | D | 0.0000 | |
| 559 | T | D | -0.5107 | |
| 560 | D | D | -0.6964 | |
| 561 | E | D | -0.3275 | |
| 562 | Q | D | -0.5304 | |
| 563 | Y | D | 0.0000 | |
| 564 | A | D | 0.0000 | |
| 565 | N | D | 0.0000 | |
| 566 | M | D | 0.0000 | |
| 567 | E | D | 0.0000 | |
| 568 | S | D | 0.0000 | |
| 569 | R | D | -0.5132 | |
| 570 | T | D | 0.0000 | |
| 571 | D | D | 0.0000 | |
| 572 | P | D | 0.1125 | |
| 573 | A | D | 0.2420 | |
| 574 | T | D | 0.6170 | |
| 575 | L | D | 1.2383 | |
| 576 | T | D | 0.4405 | |
| 577 | A | D | 0.4944 | |
| 578 | Y | D | 0.7721 | |
| 579 | D | D | -0.9592 |
Calculations for various pH values
This page contains details and comparisons for all models calculated at different pH points.
Please find suggestions on interpreting the results below. More details can be found in the Tutorial.
The input structure is partially or entirely disordered. Average score is recommended for pH analysis.
pH |
Average A4D Score |
Max A4D Score |
|||
| 4.0 | -0.4024 | 3.1617 | View | CSV | PDB |
| 4.5 | -0.4555 | 3.0112 | View | CSV | PDB |
| 5.0 | -0.5205 | 2.8474 | View | CSV | PDB |
| 5.5 | -0.5883 | 2.7728 | View | CSV | PDB |
| 6.0 | -0.6521 | 2.6946 | View | CSV | PDB |
| 6.5 | -0.7073 | 2.6181 | View | CSV | PDB |
| 7.0 | -0.7531 | 2.5454 | View | CSV | PDB |
| 7.5 | -0.7916 | 2.4746 | View | CSV | PDB |
| 8.0 | -0.825 | 2.4053 | View | CSV | PDB |
| 8.5 | -0.8525 | 2.3381 | View | CSV | PDB |
| 9.0 | -0.8707 | 2.2757 | 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