| Chain sequence(s) |
A: NPMMLRLKELWFAEFRDLRFVRTAEILAGKLPLQPQEFWDVIQKHCLEAHQTLLNKWIPTCAQLFTSRKEHWIHFAPKSNYDSSRNIEEYFASVASFMSLQLRELVIKSLEDLVSLFMIHKDGNDFKEPYQEMKFFIPQLIMIKLEVSEPIIVFNPSFDGCWELIRDSFLEIIKNSNGIPKLKYINLLLGTVNAEEKLVSDFLIQTFKVFQKNQVGPCKYLNVYKKYVDLLDNTAEQNIAAFLKENHDIDDFVTKINAIKKRRNEIASMNITVPLAMFCLDATALNHDLCERAQNLKDHLIQFQVDVNRDTNTSICNQYSHIADKVSEVPANTKELVSLIEFLKKSSAVTVFKLRRQLRDASERLEFLMDYADLPYQIEDIFDNSRNLLLHKRDQAEMDLIKRCSEFELRLEGYHRELESFRKREVMTTEEMKHNVEKLNELSKNLNRAFAEFELINKEEELLEKEKSTYPLLQAMLKNKVPYEQLWSTAYEFSIKSEEWMNGPLFLLNAEQIAEEIGNMWRTTYKLIKTLSDVPAPRRLAENVKIKIDKFKQYIPILSISCNPGMKDRHWQQISEIVGYEIKPTETTCLSNMLEFGFGKFVEKLEPIGAAASKEYSLEKNLDRMKLDWVNVTFSFVKYRDTDTNILCAIDDIQMLLDDHVIKTQTMCGSPFIKPIEAECRKWEEKLIRIQDNLDAWLKCQATWLYLEPIFSSEDIIAQMPEEGRKFGIVDSYWKSLMSQAVKDNRILVAADQPRMAEKLQEANFLLEDIQKGLNDYLEKKRLFFPRFFFLSNDELLE
input PDB |
| Selected Chain(s) | A |
| 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] (00:00:00)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:00)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with A chain(s) selected (00:00:00)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:00)
[INFO] PDB-Info: The input structure is globular. Max score is recommended for pH analysis. (00:00:03)
[INFO] FoldX: Starting FoldX energy minimization (00:00:03)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:17:41)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/29a988737e35cd/tmp/folded.pdb (00:17:41)
[INFO] Main: Simulation completed successfully. (00:21:21)
|
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 |
|---|---|---|---|---|
| 148 | N | A | -0.8103 | |
| 149 | P | A | -0.4623 | |
| 150 | M | A | 0.0000 | |
| 151 | M | A | -0.1016 | |
| 152 | L | A | 0.2383 | |
| 153 | R | A | -0.9524 | |
| 154 | L | A | 0.0000 | |
| 155 | K | A | -1.0165 | |
| 156 | E | A | -1.8454 | |
| 157 | L | A | -1.1330 | |
| 158 | W | A | 0.0000 | |
| 159 | F | A | -0.6107 | |
| 160 | A | A | -1.1800 | |
| 161 | E | A | -2.4203 | |
| 162 | F | A | 0.0000 | |
| 163 | R | A | -2.6102 | |
| 164 | D | A | -2.8496 | |
| 165 | L | A | -2.1065 | |
| 166 | R | A | -1.8468 | |
| 167 | F | A | 0.0000 | |
| 168 | V | A | 0.0000 | |
| 169 | R | A | -2.4036 | |
| 170 | T | A | 0.0000 | |
| 171 | A | A | -0.9213 | |
| 172 | E | A | -1.7311 | |
| 173 | I | A | 0.0000 | |
| 174 | L | A | -0.1579 | |
| 175 | A | A | -0.4639 | |
| 176 | G | A | -1.1621 | |
| 177 | K | A | -1.7640 | |
| 178 | L | A | -0.7374 | |
| 179 | P | A | -0.6598 | |
| 180 | L | A | 0.0000 | |
| 181 | Q | A | -1.8554 | |
| 182 | P | A | -1.5501 | |
| 183 | Q | A | -2.0363 | |
| 184 | E | A | -1.8192 | |
| 185 | F | A | 0.0000 | |
| 186 | W | A | -1.5115 | |
| 187 | D | A | -2.4488 | |
| 188 | V | A | -1.5500 | |
| 189 | I | A | 0.0000 | |
| 190 | Q | A | -1.8047 | |
| 191 | K | A | -2.4451 | |
| 192 | H | A | 0.0000 | |
| 193 | C | A | 0.0000 | |
| 194 | L | A | -1.3178 | |
| 195 | E | A | -2.3016 | |
| 196 | A | A | 0.0000 | |
| 197 | H | A | -1.7694 | |
| 198 | Q | A | -1.9362 | |
| 199 | T | A | -1.6429 | |
| 200 | L | A | 0.0000 | |
| 201 | L | A | -1.1278 | |
| 202 | N | A | -2.1211 | |
| 203 | K | A | -2.5196 | |
| 204 | W | A | 0.0000 | |
| 205 | I | A | -0.7033 | |
| 206 | P | A | -1.0211 | |
| 207 | T | A | -0.9270 | |
| 208 | C | A | 0.0000 | |
| 209 | A | A | -0.7402 | |
| 210 | Q | A | -1.2870 | |
| 211 | L | A | -0.9785 | |
| 212 | F | A | 0.0000 | |
| 213 | T | A | -1.4127 | |
| 214 | S | A | -1.6237 | |
| 215 | R | A | -2.5169 | |
| 216 | K | A | -2.6743 | |
| 217 | E | A | -2.8773 | |
| 218 | H | A | -1.9529 | |
| 219 | W | A | 0.0000 | |
| 220 | I | A | -0.8389 | |
| 221 | H | A | -1.3810 | |
| 222 | F | A | -1.1833 | |
| 223 | A | A | 0.0000 | |
| 224 | P | A | -1.8959 | |
| 225 | K | A | -2.1828 | |
| 226 | S | A | -1.5488 | |
| 227 | N | A | -1.4723 | |
| 228 | Y | A | -0.2429 | |
| 229 | D | A | -1.9177 | |
| 230 | S | A | -1.9691 | |
| 231 | S | A | -2.6541 | |
| 232 | R | A | -3.8307 | |
| 233 | N | A | -3.5397 | |
| 234 | I | A | 0.0000 | |
| 235 | E | A | -3.9225 | |
| 236 | E | A | -3.6136 | |
| 237 | Y | A | 0.0000 | |
| 238 | F | A | 0.0000 | |
| 239 | A | A | -1.6338 | |
| 240 | S | A | -0.8051 | |
| 241 | V | A | 0.0000 | |
| 242 | A | A | 0.0000 | |
| 243 | S | A | 0.1321 | |
| 244 | F | A | 0.4343 | |
| 245 | M | A | 0.0000 | |
| 246 | S | A | 0.2899 | |
| 247 | L | A | 1.1328 | |
| 248 | Q | A | 0.1349 | |
| 249 | L | A | 0.0000 | |
| 250 | R | A | -0.4199 | |
| 251 | E | A | -0.4924 | |
| 252 | L | A | 0.0000 | |
| 253 | V | A | 0.0000 | |
| 254 | I | A | -0.6996 | |
| 255 | K | A | -1.8241 | |
| 256 | S | A | 0.0000 | |
| 257 | L | A | 0.0000 | |
| 258 | E | A | -1.9262 | |
| 259 | D | A | -1.7673 | |
| 260 | L | A | 0.0000 | |
| 261 | V | A | 0.0000 | |
| 262 | S | A | -0.5944 | |
| 263 | L | A | 0.0000 | |
| 264 | F | A | 0.0000 | |
| 265 | M | A | -0.4934 | |
| 266 | I | A | 0.3745 | |
| 267 | H | A | 0.0000 | |
| 268 | K | A | -2.7409 | |
| 269 | D | A | -2.9054 | |
| 270 | G | A | -2.5343 | |
| 271 | N | A | 0.0000 | |
| 272 | D | A | -2.5630 | |
| 273 | F | A | 0.0000 | |
| 274 | K | A | -2.8556 | |
| 275 | E | A | -2.5523 | |
| 276 | P | A | -1.6963 | |
| 277 | Y | A | -1.7698 | |
| 278 | Q | A | -1.9682 | |
| 279 | E | A | -1.6032 | |
| 280 | M | A | -0.1449 | |
| 281 | K | A | -1.1764 | |
| 282 | F | A | 0.1816 | |
| 283 | F | A | 1.7507 | |
| 284 | I | A | 1.3108 | |
| 285 | P | A | 0.6260 | |
| 286 | Q | A | 0.4731 | |
| 287 | L | A | 0.0000 | |
| 288 | I | A | 0.0000 | |
| 289 | M | A | -0.5916 | |
| 290 | I | A | 0.0000 | |
| 291 | K | A | -1.1717 | |
| 292 | L | A | 0.0000 | |
| 293 | E | A | -0.6899 | |
| 294 | V | A | 0.0696 | |
| 295 | S | A | -0.2135 | |
| 296 | E | A | -1.5935 | |
| 297 | P | A | -0.6291 | |
| 298 | I | A | 1.4622 | |
| 299 | I | A | 1.0767 | |
| 300 | V | A | 0.5252 | |
| 301 | F | A | -0.2690 | |
| 302 | N | A | -1.2232 | |
| 303 | P | A | -1.1562 | |
| 304 | S | A | -1.0592 | |
| 305 | F | A | -1.1450 | |
| 306 | D | A | -2.0870 | |
| 307 | G | A | -1.6023 | |
| 308 | C | A | 0.0000 | |
| 309 | W | A | -1.3776 | |
| 310 | E | A | -2.1907 | |
| 311 | L | A | -1.2393 | |
| 312 | I | A | 0.0000 | |
| 313 | R | A | -1.1714 | |
| 314 | D | A | -1.0998 | |
| 315 | S | A | 0.0000 | |
| 316 | F | A | 0.0000 | |
| 317 | L | A | -0.6507 | |
| 318 | E | A | 0.0000 | |
| 319 | I | A | 0.0000 | |
| 320 | I | A | 0.0000 | |
| 321 | K | A | -2.2161 | |
| 322 | N | A | -1.6058 | |
| 323 | S | A | 0.0000 | |
| 324 | N | A | -2.1460 | |
| 325 | G | A | -0.8795 | |
| 326 | I | A | 0.0000 | |
| 327 | P | A | -0.2495 | |
| 328 | K | A | -0.6737 | |
| 329 | L | A | 0.0000 | |
| 330 | K | A | -1.1567 | |
| 331 | Y | A | 0.3553 | |
| 332 | I | A | 1.7540 | |
| 372 | N | A | -0.5107 | |
| 373 | L | A | 0.6970 | |
| 374 | L | A | 0.2692 | |
| 375 | L | A | 0.0000 | |
| 376 | G | A | -0.6764 | |
| 377 | T | A | -0.9285 | |
| 378 | V | A | 0.0000 | |
| 379 | N | A | -2.6157 | |
| 380 | A | A | -1.9790 | |
| 381 | E | A | -2.7920 | |
| 382 | E | A | -2.5323 | |
| 383 | K | A | -2.5588 | |
| 384 | L | A | -1.0685 | |
| 385 | V | A | 0.0000 | |
| 386 | S | A | -0.9974 | |
| 387 | D | A | -0.7208 | |
| 388 | F | A | -0.1900 | |
| 389 | L | A | 0.3308 | |
| 390 | I | A | 1.0444 | |
| 391 | Q | A | -0.3096 | |
| 392 | T | A | 0.0000 | |
| 393 | F | A | -0.2371 | |
| 394 | K | A | -1.9305 | |
| 395 | V | A | 0.0000 | |
| 396 | F | A | 0.0000 | |
| 397 | Q | A | -1.8926 | |
| 398 | K | A | -2.9150 | |
| 399 | N | A | 0.0000 | |
| 400 | Q | A | -0.6435 | |
| 401 | V | A | -0.2298 | |
| 402 | G | A | 0.0000 | |
| 403 | P | A | 0.0000 | |
| 404 | C | A | 0.4513 | |
| 405 | K | A | -0.5765 | |
| 406 | Y | A | 0.0000 | |
| 407 | L | A | 0.1644 | |
| 408 | N | A | -1.2637 | |
| 409 | V | A | -0.7729 | |
| 410 | Y | A | 0.0000 | |
| 411 | K | A | -2.1088 | |
| 412 | K | A | -2.2297 | |
| 413 | Y | A | 0.0000 | |
| 414 | V | A | 0.0101 | |
| 415 | D | A | -1.2889 | |
| 416 | L | A | 0.0000 | |
| 417 | L | A | 0.0000 | |
| 418 | D | A | -1.9064 | |
| 419 | N | A | -2.2470 | |
| 420 | T | A | -1.7203 | |
| 421 | A | A | 0.0000 | |
| 422 | E | A | -2.6284 | |
| 423 | Q | A | -2.5344 | |
| 424 | N | A | -2.1708 | |
| 425 | I | A | 0.0000 | |
| 426 | A | A | -1.6096 | |
| 427 | A | A | -1.5951 | |
| 428 | F | A | -1.7563 | |
| 429 | L | A | -1.5595 | |
| 430 | K | A | -2.6974 | |
| 431 | E | A | -3.3792 | |
| 432 | N | A | -3.0642 | |
| 433 | H | A | -2.9129 | |
| 434 | D | A | -2.9987 | |
| 435 | I | A | -1.9720 | |
| 436 | D | A | -2.5750 | |
| 437 | D | A | -2.5125 | |
| 438 | F | A | 0.0000 | |
| 439 | V | A | -1.0422 | |
| 440 | T | A | -1.0399 | |
| 441 | K | A | -1.2710 | |
| 442 | I | A | 0.0000 | |
| 443 | N | A | -1.4020 | |
| 444 | A | A | -1.4666 | |
| 445 | I | A | 0.0000 | |
| 446 | K | A | -2.9570 | |
| 447 | K | A | -3.5401 | |
| 448 | R | A | -3.1816 | |
| 449 | R | A | -3.4422 | |
| 450 | N | A | -3.3842 | |
| 451 | E | A | -3.3015 | |
| 452 | I | A | 0.0000 | |
| 453 | A | A | -1.5502 | |
| 454 | S | A | -1.2176 | |
| 455 | M | A | -0.5745 | |
| 456 | N | A | -0.4406 | |
| 457 | I | A | 0.4944 | |
| 458 | T | A | -0.0681 | |
| 459 | V | A | 0.0000 | |
| 460 | P | A | -0.2461 | |
| 461 | L | A | 0.0000 | |
| 462 | A | A | 0.0000 | |
| 463 | M | A | 0.0000 | |
| 464 | F | A | 0.0000 | |
| 465 | C | A | 0.0000 | |
| 466 | L | A | 0.0000 | |
| 467 | D | A | -0.4291 | |
| 468 | A | A | 0.0000 | |
| 469 | T | A | -0.3407 | |
| 470 | A | A | -0.5955 | |
| 471 | L | A | 0.0000 | |
| 472 | N | A | 0.0000 | |
| 473 | H | A | -1.7575 | |
| 474 | D | A | -1.8951 | |
| 475 | L | A | 0.0000 | |
| 476 | C | A | 0.0000 | |
| 477 | E | A | -3.0949 | |
| 478 | R | A | -2.5064 | |
| 479 | A | A | 0.0000 | |
| 480 | Q | A | -2.7374 | |
| 481 | N | A | -2.7611 | |
| 482 | L | A | 0.0000 | |
| 483 | K | A | -2.2856 | |
| 484 | D | A | -2.3958 | |
| 485 | H | A | -1.9143 | |
| 486 | L | A | 0.0000 | |
| 487 | I | A | 0.0000 | |
| 488 | Q | A | -1.1424 | |
| 489 | F | A | -0.1218 | |
| 490 | Q | A | 0.0000 | |
| 491 | V | A | 0.0000 | |
| 492 | D | A | -1.4894 | |
| 493 | V | A | -0.8270 | |
| 494 | N | A | 0.0000 | |
| 495 | R | A | -2.5297 | |
| 496 | D | A | -2.6576 | |
| 497 | T | A | -1.7297 | |
| 498 | N | A | -1.5698 | |
| 499 | T | A | -1.4576 | |
| 500 | S | A | -1.3311 | |
| 501 | I | A | 0.0000 | |
| 502 | C | A | -0.2840 | |
| 503 | N | A | -1.3127 | |
| 504 | Q | A | -1.0070 | |
| 505 | Y | A | -0.3976 | |
| 506 | S | A | -1.1473 | |
| 507 | H | A | -1.7491 | |
| 508 | I | A | -0.6081 | |
| 509 | A | A | -1.2396 | |
| 510 | D | A | -2.6435 | |
| 511 | K | A | -1.5857 | |
| 512 | V | A | 0.0017 | |
| 513 | S | A | -1.1479 | |
| 514 | E | A | -1.4559 | |
| 515 | V | A | 0.7608 | |
| 516 | P | A | 0.0418 | |
| 517 | A | A | -0.6499 | |
| 518 | N | A | -1.3799 | |
| 519 | T | A | -0.9228 | |
| 520 | K | A | -1.4660 | |
| 521 | E | A | -0.9065 | |
| 522 | L | A | 0.8419 | |
| 523 | V | A | 1.4992 | |
| 524 | S | A | 0.4027 | |
| 525 | L | A | 0.7113 | |
| 526 | I | A | 1.2207 | |
| 527 | E | A | -0.8385 | |
| 528 | F | A | -0.1020 | |
| 529 | L | A | 0.4052 | |
| 530 | K | A | -1.7898 | |
| 531 | K | A | -1.6813 | |
| 532 | S | A | 0.0000 | |
| 533 | S | A | -0.1175 | |
| 534 | A | A | 0.2162 | |
| 535 | V | A | 1.2869 | |
| 536 | T | A | 0.0754 | |
| 537 | V | A | 0.1367 | |
| 538 | F | A | 0.4434 | |
| 539 | K | A | -1.7263 | |
| 540 | L | A | 0.0000 | |
| 541 | R | A | -3.1255 | |
| 542 | R | A | -3.7822 | |
| 543 | Q | A | -2.9645 | |
| 544 | L | A | -2.5472 | |
| 545 | R | A | -4.0956 | |
| 546 | D | A | -3.4565 | |
| 547 | A | A | 0.0000 | |
| 548 | S | A | -2.5787 | |
| 549 | E | A | -3.2344 | |
| 550 | R | A | -1.6504 | |
| 551 | L | A | -1.4833 | |
| 552 | E | A | -2.2797 | |
| 553 | F | A | 0.0000 | |
| 554 | L | A | 0.0000 | |
| 555 | M | A | -0.3225 | |
| 556 | D | A | -1.6869 | |
| 557 | Y | A | -0.8537 | |
| 558 | A | A | -0.8023 | |
| 559 | D | A | -1.2267 | |
| 560 | L | A | 0.6633 | |
| 561 | P | A | 0.1605 | |
| 562 | Y | A | 0.4722 | |
| 563 | Q | A | -0.5432 | |
| 564 | I | A | 0.1350 | |
| 565 | E | A | -1.8281 | |
| 566 | D | A | -2.1416 | |
| 567 | I | A | 0.3638 | |
| 568 | F | A | -0.1753 | |
| 569 | D | A | -2.5275 | |
| 570 | N | A | -2.0407 | |
| 571 | S | A | -0.6738 | |
| 572 | R | A | -2.0608 | |
| 573 | N | A | -1.6246 | |
| 574 | L | A | 0.2264 | |
| 575 | L | A | 0.0410 | |
| 576 | L | A | -0.4642 | |
| 577 | H | A | -1.9646 | |
| 578 | K | A | -2.6368 | |
| 579 | R | A | -2.1646 | |
| 580 | D | A | -3.2465 | |
| 581 | Q | A | -3.1919 | |
| 582 | A | A | -2.1554 | |
| 583 | E | A | -1.7461 | |
| 584 | M | A | -1.1413 | |
| 585 | D | A | -2.0126 | |
| 586 | L | A | 0.0000 | |
| 587 | I | A | -0.0159 | |
| 588 | K | A | -2.4500 | |
| 589 | R | A | -3.2764 | |
| 590 | C | A | -1.8122 | |
| 591 | S | A | -2.1427 | |
| 592 | E | A | -3.1420 | |
| 593 | F | A | 0.0000 | |
| 594 | E | A | -2.8550 | |
| 595 | L | A | -1.3920 | |
| 596 | R | A | -2.7621 | |
| 597 | L | A | 0.0000 | |
| 598 | E | A | -2.9119 | |
| 599 | G | A | -2.3794 | |
| 600 | Y | A | -1.7736 | |
| 601 | H | A | -2.2443 | |
| 602 | R | A | -2.9484 | |
| 603 | E | A | -2.2717 | |
| 604 | L | A | 0.0000 | |
| 605 | E | A | -2.0865 | |
| 606 | S | A | -2.0100 | |
| 607 | F | A | 0.0000 | |
| 608 | R | A | -3.2357 | |
| 609 | K | A | -3.2100 | |
| 610 | R | A | -2.3423 | |
| 611 | E | A | -2.5528 | |
| 612 | V | A | -0.2612 | |
| 613 | M | A | 0.5093 | |
| 614 | T | A | -0.2461 | |
| 615 | T | A | -0.9914 | |
| 616 | E | A | -2.4509 | |
| 617 | E | A | -1.8487 | |
| 618 | M | A | -1.5790 | |
| 619 | K | A | -2.5897 | |
| 620 | H | A | -2.8319 | |
| 621 | N | A | 0.0000 | |
| 622 | V | A | -2.2226 | |
| 623 | E | A | -3.5182 | |
| 624 | K | A | -3.0691 | |
| 625 | L | A | 0.0000 | |
| 626 | N | A | -3.3289 | |
| 627 | E | A | -3.7267 | |
| 628 | L | A | 0.0000 | |
| 629 | S | A | -2.6732 | |
| 630 | K | A | -3.4947 | |
| 631 | N | A | -2.9571 | |
| 632 | L | A | 0.0000 | |
| 633 | N | A | -2.7946 | |
| 634 | R | A | -3.2064 | |
| 635 | A | A | 0.0000 | |
| 636 | F | A | -1.1293 | |
| 637 | A | A | -1.2484 | |
| 638 | E | A | -1.7377 | |
| 639 | F | A | -1.2207 | |
| 640 | E | A | -1.9866 | |
| 641 | L | A | -0.4412 | |
| 642 | I | A | 0.0000 | |
| 643 | N | A | -2.6469 | |
| 644 | K | A | -2.5588 | |
| 645 | E | A | -1.7969 | |
| 646 | E | A | 0.0000 | |
| 647 | E | A | -3.1244 | |
| 648 | L | A | -0.5400 | |
| 649 | L | A | -1.7971 | |
| 650 | E | A | -3.1690 | |
| 651 | K | A | -3.4256 | |
| 652 | E | A | -3.7632 | |
| 653 | K | A | -3.9267 | |
| 654 | S | A | -1.6640 | |
| 655 | T | A | -0.8456 | |
| 656 | Y | A | 0.0000 | |
| 657 | P | A | -0.4384 | |
| 658 | L | A | -0.7489 | |
| 659 | L | A | 0.0000 | |
| 660 | Q | A | -1.4660 | |
| 661 | A | A | -1.1387 | |
| 662 | M | A | 0.0000 | |
| 663 | L | A | -0.9757 | |
| 664 | K | A | -1.8209 | |
| 665 | N | A | -1.3152 | |
| 666 | K | A | 0.0000 | |
| 667 | V | A | -0.1038 | |
| 668 | P | A | -0.6222 | |
| 669 | Y | A | 0.0000 | |
| 670 | E | A | -1.1293 | |
| 671 | Q | A | -0.6424 | |
| 672 | L | A | 0.0000 | |
| 673 | W | A | 0.0000 | |
| 674 | S | A | -0.9632 | |
| 675 | T | A | -0.6627 | |
| 676 | A | A | 0.0000 | |
| 677 | Y | A | -0.6330 | |
| 678 | E | A | -0.6749 | |
| 679 | F | A | 0.0000 | |
| 680 | S | A | -0.7916 | |
| 681 | I | A | -0.7348 | |
| 682 | K | A | -1.7187 | |
| 683 | S | A | -1.8726 | |
| 684 | E | A | -2.9264 | |
| 685 | E | A | -3.0512 | |
| 686 | W | A | 0.0000 | |
| 687 | M | A | -1.6931 | |
| 688 | N | A | -2.4249 | |
| 689 | G | A | -1.1060 | |
| 690 | P | A | -0.0056 | |
| 691 | L | A | 0.0000 | |
| 692 | F | A | 2.0874 | |
| 693 | L | A | 2.0909 | |
| 694 | L | A | 0.3762 | |
| 695 | N | A | -1.4520 | |
| 696 | A | A | 0.0000 | |
| 697 | E | A | -3.2263 | |
| 698 | Q | A | -3.1245 | |
| 699 | I | A | 0.0000 | |
| 700 | A | A | -2.3856 | |
| 701 | E | A | -3.3035 | |
| 702 | E | A | -2.4731 | |
| 703 | I | A | 0.0000 | |
| 704 | G | A | 0.0000 | |
| 705 | N | A | -2.3415 | |
| 706 | M | A | 0.0000 | |
| 707 | W | A | -1.5163 | |
| 708 | R | A | -2.3927 | |
| 709 | T | A | -1.6479 | |
| 710 | T | A | 0.0000 | |
| 711 | Y | A | -1.4081 | |
| 712 | K | A | -2.3501 | |
| 713 | L | A | 0.0000 | |
| 714 | I | A | 0.0000 | |
| 715 | K | A | -2.5294 | |
| 716 | T | A | -1.6726 | |
| 717 | L | A | 0.0000 | |
| 718 | S | A | -2.2156 | |
| 719 | D | A | -2.3970 | |
| 720 | V | A | -2.0595 | |
| 721 | P | A | -2.2068 | |
| 722 | A | A | -2.5873 | |
| 723 | P | A | 0.0000 | |
| 724 | R | A | -3.1793 | |
| 725 | R | A | -3.3115 | |
| 726 | L | A | 0.0000 | |
| 727 | A | A | 0.0000 | |
| 728 | E | A | -2.3733 | |
| 729 | N | A | -2.1821 | |
| 730 | V | A | 0.0000 | |
| 731 | K | A | -1.2812 | |
| 732 | I | A | -0.4868 | |
| 733 | K | A | -1.7331 | |
| 734 | I | A | 0.0000 | |
| 735 | D | A | -1.8399 | |
| 736 | K | A | -2.5944 | |
| 737 | F | A | 0.0000 | |
| 738 | K | A | -2.0443 | |
| 739 | Q | A | -2.0680 | |
| 740 | Y | A | -0.7136 | |
| 741 | I | A | -0.5096 | |
| 742 | P | A | -0.7614 | |
| 743 | I | A | 0.0000 | |
| 744 | L | A | 0.0000 | |
| 745 | S | A | -0.9592 | |
| 746 | I | A | 0.0000 | |
| 747 | S | A | 0.0000 | |
| 748 | C | A | 0.1940 | |
| 749 | N | A | -0.4298 | |
| 750 | P | A | -0.2236 | |
| 751 | G | A | -0.5326 | |
| 752 | M | A | -0.8600 | |
| 753 | K | A | -2.0088 | |
| 754 | D | A | -2.8516 | |
| 755 | R | A | -2.5079 | |
| 756 | H | A | 0.0000 | |
| 757 | W | A | -2.4542 | |
| 758 | Q | A | -3.0509 | |
| 759 | Q | A | -2.1387 | |
| 760 | I | A | 0.0000 | |
| 761 | S | A | -2.0368 | |
| 762 | E | A | -2.2712 | |
| 763 | I | A | -1.0967 | |
| 764 | V | A | 0.0000 | |
| 765 | G | A | -0.7647 | |
| 766 | Y | A | -0.3108 | |
| 767 | E | A | -2.2636 | |
| 768 | I | A | 0.0000 | |
| 769 | K | A | -2.4118 | |
| 770 | P | A | -1.3196 | |
| 771 | T | A | -1.1742 | |
| 772 | E | A | -1.3144 | |
| 773 | T | A | -0.9281 | |
| 774 | T | A | -0.8280 | |
| 775 | C | A | -0.4838 | |
| 776 | L | A | 0.0000 | |
| 777 | S | A | -0.7908 | |
| 778 | N | A | -1.0366 | |
| 779 | M | A | 0.0000 | |
| 780 | L | A | -0.7123 | |
| 781 | E | A | -1.5325 | |
| 782 | F | A | -0.1107 | |
| 783 | G | A | -0.8321 | |
| 784 | F | A | 0.0000 | |
| 785 | G | A | -1.4819 | |
| 786 | K | A | -2.0794 | |
| 787 | F | A | -1.7319 | |
| 788 | V | A | -2.1124 | |
| 789 | E | A | -3.2866 | |
| 790 | K | A | -3.0463 | |
| 791 | L | A | 0.0000 | |
| 792 | E | A | -2.6849 | |
| 793 | P | A | -1.7205 | |
| 794 | I | A | 0.0000 | |
| 795 | G | A | 0.0000 | |
| 796 | A | A | -0.6859 | |
| 797 | A | A | -0.4366 | |
| 798 | A | A | 0.0000 | |
| 799 | S | A | -0.5112 | |
| 800 | K | A | -0.8951 | |
| 801 | E | A | 0.0000 | |
| 802 | Y | A | -0.7523 | |
| 803 | S | A | -1.2076 | |
| 804 | L | A | -1.4909 | |
| 805 | E | A | -2.6976 | |
| 806 | K | A | -3.2278 | |
| 807 | N | A | -2.7457 | |
| 808 | L | A | 0.0000 | |
| 809 | D | A | -3.6897 | |
| 810 | R | A | -3.6315 | |
| 811 | M | A | 0.0000 | |
| 812 | K | A | -1.9414 | |
| 813 | L | A | -0.8081 | |
| 814 | D | A | -1.5069 | |
| 815 | W | A | 0.0000 | |
| 816 | V | A | 0.8746 | |
| 817 | N | A | -0.6685 | |
| 818 | V | A | -0.2713 | |
| 819 | T | A | -0.2583 | |
| 820 | F | A | 0.2023 | |
| 821 | S | A | 0.9471 | |
| 822 | F | A | 1.8720 | |
| 823 | V | A | 1.1854 | |
| 824 | K | A | -1.8981 | |
| 825 | Y | A | 0.0000 | |
| 826 | R | A | -3.3155 | |
| 827 | D | A | -3.4989 | |
| 828 | T | A | -2.6191 | |
| 829 | D | A | -3.2520 | |
| 830 | T | A | 0.0000 | |
| 831 | N | A | -0.7079 | |
| 832 | I | A | 0.6854 | |
| 833 | L | A | 0.0000 | |
| 834 | C | A | 0.8976 | |
| 835 | A | A | -0.3405 | |
| 836 | I | A | 0.0000 | |
| 837 | D | A | -2.5235 | |
| 838 | D | A | -2.4034 | |
| 839 | I | A | 0.0000 | |
| 840 | Q | A | -2.2470 | |
| 841 | M | A | -1.2766 | |
| 842 | L | A | -1.3980 | |
| 843 | L | A | 0.0000 | |
| 844 | D | A | -2.0188 | |
| 845 | D | A | -2.0462 | |
| 846 | H | A | -1.3384 | |
| 847 | V | A | 0.0000 | |
| 848 | I | A | 0.1063 | |
| 849 | K | A | -1.2116 | |
| 850 | T | A | 0.0000 | |
| 851 | Q | A | -0.9560 | |
| 852 | T | A | -0.5174 | |
| 853 | M | A | 0.0000 | |
| 854 | C | A | -1.3402 | |
| 855 | G | A | -0.9634 | |
| 856 | S | A | -0.7444 | |
| 857 | P | A | -0.6153 | |
| 858 | F | A | -0.3099 | |
| 859 | I | A | 0.0000 | |
| 860 | K | A | -2.2038 | |
| 861 | P | A | -1.4517 | |
| 862 | I | A | 0.0000 | |
| 863 | E | A | -2.9210 | |
| 864 | A | A | -2.4296 | |
| 865 | E | A | -3.3130 | |
| 866 | C | A | 0.0000 | |
| 867 | R | A | -3.4261 | |
| 868 | K | A | -3.5560 | |
| 869 | W | A | 0.0000 | |
| 870 | E | A | 0.0000 | |
| 871 | E | A | -2.5962 | |
| 872 | K | A | -2.2397 | |
| 873 | L | A | 0.0000 | |
| 874 | I | A | -1.3334 | |
| 875 | R | A | -2.5873 | |
| 876 | I | A | 0.0000 | |
| 877 | Q | A | -2.3692 | |
| 878 | D | A | -2.9608 | |
| 879 | N | A | 0.0000 | |
| 880 | L | A | 0.0000 | |
| 881 | D | A | -2.7269 | |
| 882 | A | A | -2.0138 | |
| 883 | W | A | 0.0000 | |
| 884 | L | A | -0.6903 | |
| 885 | K | A | -1.6858 | |
| 886 | C | A | 0.0000 | |
| 887 | Q | A | 0.0000 | |
| 888 | A | A | 0.0417 | |
| 889 | T | A | -0.3174 | |
| 890 | W | A | 0.0000 | |
| 891 | L | A | 0.6436 | |
| 892 | Y | A | 0.4782 | |
| 893 | L | A | 0.0000 | |
| 894 | E | A | -0.1046 | |
| 895 | P | A | -0.2059 | |
| 896 | I | A | -0.5924 | |
| 897 | F | A | 0.0000 | |
| 898 | S | A | -0.8681 | |
| 899 | S | A | -1.4176 | |
| 900 | E | A | -2.6436 | |
| 901 | D | A | -2.6745 | |
| 902 | I | A | -1.3258 | |
| 903 | I | A | -1.6093 | |
| 904 | A | A | -1.5882 | |
| 905 | Q | A | -1.8773 | |
| 906 | M | A | 0.0000 | |
| 907 | P | A | -1.9458 | |
| 908 | E | A | -2.8851 | |
| 909 | E | A | -2.3434 | |
| 910 | G | A | -1.9654 | |
| 911 | R | A | -2.6859 | |
| 912 | K | A | -1.8457 | |
| 913 | F | A | 0.0000 | |
| 914 | G | A | -1.0765 | |
| 915 | I | A | -0.1438 | |
| 916 | V | A | 0.0000 | |
| 917 | D | A | -0.7601 | |
| 918 | S | A | -0.4206 | |
| 919 | Y | A | -0.4286 | |
| 920 | W | A | 0.0000 | |
| 921 | K | A | -1.7996 | |
| 922 | S | A | -1.0913 | |
| 923 | L | A | 0.0000 | |
| 924 | M | A | 0.0000 | |
| 925 | S | A | -1.5658 | |
| 926 | Q | A | -1.7563 | |
| 927 | A | A | 0.0000 | |
| 928 | V | A | -0.9006 | |
| 929 | K | A | -2.1685 | |
| 930 | D | A | -1.5074 | |
| 931 | N | A | -1.0744 | |
| 932 | R | A | -1.2172 | |
| 933 | I | A | 0.0000 | |
| 934 | L | A | -0.0693 | |
| 935 | V | A | -0.0110 | |
| 936 | A | A | 0.0000 | |
| 937 | A | A | 0.0000 | |
| 938 | D | A | -1.7996 | |
| 939 | Q | A | -1.2281 | |
| 940 | P | A | -1.6609 | |
| 941 | R | A | -2.8387 | |
| 942 | M | A | 0.0000 | |
| 943 | A | A | -2.7597 | |
| 944 | E | A | -3.1763 | |
| 945 | K | A | -2.1631 | |
| 946 | L | A | 0.0000 | |
| 947 | Q | A | -2.2250 | |
| 948 | E | A | -1.5398 | |
| 949 | A | A | 0.0000 | |
| 950 | N | A | 0.0000 | |
| 951 | F | A | 0.3528 | |
| 952 | L | A | -0.5488 | |
| 953 | L | A | 0.0000 | |
| 954 | E | A | -2.1440 | |
| 955 | D | A | -2.1182 | |
| 956 | I | A | 0.0000 | |
| 957 | Q | A | -2.3519 | |
| 958 | K | A | -3.3139 | |
| 959 | G | A | -2.5467 | |
| 960 | L | A | 0.0000 | |
| 961 | N | A | -2.9674 | |
| 962 | D | A | -2.8296 | |
| 963 | Y | A | -2.0668 | |
| 964 | L | A | 0.0000 | |
| 965 | E | A | -1.9242 | |
| 966 | K | A | -1.7496 | |
| 967 | K | A | -0.4104 | |
| 968 | R | A | 0.7298 | |
| 969 | L | A | 1.6798 | |
| 970 | F | A | 2.2622 | |
| 971 | F | A | 1.9225 | |
| 972 | P | A | 0.9456 | |
| 973 | R | A | 0.2223 | |
| 974 | F | A | 1.3272 | |
| 975 | F | A | 2.1756 | |
| 976 | F | A | 2.1771 | |
| 977 | L | A | 0.7580 | |
| 978 | S | A | -0.6235 | |
| 979 | N | A | -1.7660 | |
| 980 | D | A | -2.9923 | |
| 981 | E | A | -2.9378 | |
| 982 | L | A | 0.0000 | |
| 983 | L | A | -1.8301 | |
| 984 | E | A | -2.8409 |
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 | -0.8494 | 5.4697 | View | CSV | PDB |
| 4.5 | -0.9578 | 5.4021 | View | CSV | PDB |
| 5.0 | -1.0951 | 5.3135 | View | CSV | PDB |
| 5.5 | -1.2358 | 5.2186 | View | CSV | PDB |
| 6.0 | -1.3528 | 5.1697 | View | CSV | PDB |
| 6.5 | -1.425 | 5.1874 | View | CSV | PDB |
| 7.0 | -1.447 | 5.3201 | View | CSV | PDB |
| 7.5 | -1.4315 | 5.4777 | View | CSV | PDB |
| 8.0 | -1.3945 | 5.6461 | View | CSV | PDB |
| 8.5 | -1.3432 | 5.8176 | View | CSV | PDB |
| 9.0 | -1.2775 | 5.988 | 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