| Chain sequence(s) |
A: DDWSKPLPPSERLEQELFSGGNTGINFEKYDDIPVEATGNNCPPHIESFSDVEMGEIIMGNIELTRYTRPTPVQKHAIPIIKEKRDLMACAQTGSGKTAAFLLPILSQIYSDGPGEALRAMKENGRYGRRKQYPISLVLAPTRELAVQIYEEARKFSYRSRVRPCVVYGGADIGQQIRDLERGCHLLVATPGRLVDMMERGKIGLDFCKYLVLDEADRMLDMGFEPQIRRIVEQDTMPPKGVRHTMMFSATFPKEIQMLARDFLDEYIFLAVGSENITQKVVWVEESDKRSFLLDLLNATGKDSLTLVFVETKKGADSLEDFLYHEGYACTSIHGDRSQRDREEALHQFRSGKSPILVATAVAARGLSNVKHVINFDLPSDIEEYVHRIGRTGLGLATSFFNERNINITKDLLDLLVEAKQEVPSWLENMAYEHHY
B: DDWSKPLPPSERLEQELFSGGNTGINFEKYDDIPVEATGNNCPPHIESFSDVEMGEIIMGNIELTRYTRPTPVQKHAIPIIKEKRDLMACAQTGSGKTAAFLLPILSQIYSDGPGEALRAMKENGRYGRRKQYPISLVLAPTRELAVQIYEEARKFSYRSRVRPCVVYGGADIGQQIRDLERGCHLLVATPGRLVDMMERGKIGLDFCKYLVLDEADRMLDMGFEPQIRRIVEQDTMPPKGVRHTMMFSATFPKEIQMLARDFLDEYIFLAVGSENITQKVVWVEESDKRSFLLDLLNATGKDSLTLVFVETKKGADSLEDFLYHEGYACTSIHGDRSQRDREEALHQFRSGKSPILVATAVAARGLDNVKHVINFDLPSDIEEYVHRIGRTGLGLATSFFNERNINITKDLLDLLVEAKQEVPSWLENMAYEHHY input PDB |
| Selected Chain(s) | A,B |
| Distance of aggregation | 10 Å |
| FoldX usage | Yes |
| pH calculations | Yes |
| alphaCutter usage | No |
| Dynamic mode | No |
| Automated mutations | No |
| Downloads | Download all the data |
| Simulation log |
[INFO] Logger: Verbosity set to: 2 - [INFO] (00:00:01)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:01)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with all chain(s) selected (00:00:01)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:01)
[INFO] PDB-Info: The input structure is globular. Max score is recommended for pH analysis. (00:00:03)
[INFO] FoldX: Starting FoldX energy minimization (00:00:03)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:13:15)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/a20bc743f51f4c6/tmp/folded.pdb (00:13:15)
[INFO] Main: Simulation completed successfully. (00:17:42)
|
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 |
|---|---|---|---|---|
| 134 | D | A | -3.2673 | |
| 135 | D | A | -3.5811 | |
| 136 | W | A | 0.0000 | |
| 137 | S | A | -2.5769 | |
| 138 | K | A | -3.0359 | |
| 139 | P | A | -1.8020 | |
| 140 | L | A | -0.7412 | |
| 141 | P | A | -0.5574 | |
| 142 | P | A | -1.0700 | |
| 143 | S | A | -1.7274 | |
| 144 | E | A | -3.2087 | |
| 145 | R | A | -3.3146 | |
| 146 | L | A | -2.0312 | |
| 147 | E | A | -2.3669 | |
| 148 | Q | A | -3.0920 | |
| 149 | E | A | -3.0488 | |
| 150 | L | A | -1.9551 | |
| 151 | F | A | 0.0000 | |
| 152 | S | A | -1.4150 | |
| 153 | G | A | -1.4466 | |
| 154 | G | A | -1.7039 | |
| 155 | N | A | -1.7913 | |
| 156 | T | A | -0.9272 | |
| 157 | G | A | -0.4815 | |
| 158 | I | A | 0.6623 | |
| 159 | N | A | -1.2954 | |
| 160 | F | A | -1.6534 | |
| 161 | E | A | -3.1658 | |
| 162 | K | A | -3.2377 | |
| 163 | Y | A | -1.9449 | |
| 164 | D | A | -2.9527 | |
| 165 | D | A | -2.9509 | |
| 166 | I | A | -0.9756 | |
| 167 | P | A | -0.9260 | |
| 168 | V | A | -0.7782 | |
| 169 | E | A | -1.6002 | |
| 170 | A | A | -0.7861 | |
| 171 | T | A | -0.7960 | |
| 172 | G | A | -1.2640 | |
| 173 | N | A | -2.2190 | |
| 174 | N | A | -2.1278 | |
| 175 | C | A | -1.2350 | |
| 176 | P | A | 0.0000 | |
| 177 | P | A | -0.7295 | |
| 178 | H | A | -1.4398 | |
| 179 | I | A | 0.0000 | |
| 180 | E | A | -2.5947 | |
| 181 | S | A | -1.8636 | |
| 182 | F | A | 0.0000 | |
| 183 | S | A | -1.7733 | |
| 184 | D | A | -2.6533 | |
| 185 | V | A | -1.5958 | |
| 186 | E | A | -1.5847 | |
| 187 | M | A | 0.0000 | |
| 188 | G | A | -1.6262 | |
| 189 | E | A | -2.5704 | |
| 190 | I | A | 0.0000 | |
| 191 | I | A | 0.0000 | |
| 192 | M | A | -1.2706 | |
| 193 | G | A | -1.4943 | |
| 194 | N | A | 0.0000 | |
| 195 | I | A | 0.0000 | |
| 196 | E | A | -2.0574 | |
| 197 | L | A | -1.1118 | |
| 198 | T | A | 0.0000 | |
| 199 | R | A | -1.6904 | |
| 200 | Y | A | -0.9304 | |
| 201 | T | A | -1.0226 | |
| 202 | R | A | -1.5715 | |
| 203 | P | A | 0.0000 | |
| 204 | T | A | -0.7638 | |
| 205 | P | A | 0.0000 | |
| 206 | V | A | 0.0000 | |
| 207 | Q | A | 0.0000 | |
| 208 | K | A | -1.2699 | |
| 209 | H | A | -0.9311 | |
| 210 | A | A | 0.0000 | |
| 211 | I | A | 0.0000 | |
| 212 | P | A | 0.0000 | |
| 213 | I | A | 0.0000 | |
| 214 | I | A | 0.0000 | |
| 215 | K | A | -1.4595 | |
| 216 | E | A | -2.4378 | |
| 217 | K | A | -2.0267 | |
| 218 | R | A | -1.9738 | |
| 219 | D | A | 0.0000 | |
| 220 | L | A | 0.0000 | |
| 221 | M | A | 0.0000 | |
| 222 | A | A | 0.0000 | |
| 223 | C | A | 0.0818 | |
| 224 | A | A | 0.0000 | |
| 225 | Q | A | -1.0130 | |
| 226 | T | A | -0.7561 | |
| 227 | G | A | -0.5187 | |
| 228 | S | A | 0.0000 | |
| 229 | G | A | -0.1374 | |
| 230 | K | A | 0.0000 | |
| 231 | T | A | -0.2614 | |
| 232 | A | A | 0.0000 | |
| 233 | A | A | 0.0000 | |
| 234 | F | A | 0.0000 | |
| 235 | L | A | 0.0000 | |
| 236 | L | A | 0.0000 | |
| 237 | P | A | 0.0000 | |
| 238 | I | A | 0.0000 | |
| 239 | L | A | 0.0000 | |
| 240 | S | A | 0.0000 | |
| 241 | Q | A | 0.0000 | |
| 242 | I | A | 0.0000 | |
| 243 | Y | A | 0.0000 | |
| 244 | S | A | -1.6284 | |
| 245 | D | A | -2.2092 | |
| 246 | G | A | -2.3545 | |
| 247 | P | A | -1.8790 | |
| 248 | G | A | -1.8178 | |
| 249 | E | A | -2.3787 | |
| 250 | A | A | -1.3636 | |
| 251 | L | A | -1.6459 | |
| 252 | R | A | -3.0984 | |
| 253 | A | A | -1.7315 | |
| 254 | M | A | -1.7898 | |
| 255 | K | A | -2.9749 | |
| 256 | E | A | -3.4951 | |
| 257 | N | A | -3.0405 | |
| 258 | G | A | -2.3199 | |
| 259 | R | A | -2.1936 | |
| 260 | Y | A | -0.7646 | |
| 261 | G | A | -2.6980 | |
| 262 | R | A | -2.8240 | |
| 263 | R | A | -3.1317 | |
| 264 | K | A | -2.5802 | |
| 265 | Q | A | 0.0000 | |
| 266 | Y | A | -0.3269 | |
| 267 | P | A | 0.0000 | |
| 268 | I | A | 0.0000 | |
| 269 | S | A | 0.0000 | |
| 270 | L | A | 0.0000 | |
| 271 | V | A | 0.0000 | |
| 272 | L | A | 0.0000 | |
| 273 | A | A | 0.0000 | |
| 274 | P | A | 0.0000 | |
| 275 | T | A | -1.4678 | |
| 276 | R | A | -2.3311 | |
| 277 | E | A | -2.5008 | |
| 278 | L | A | -1.4663 | |
| 279 | A | A | 0.0000 | |
| 280 | V | A | -1.4318 | |
| 281 | Q | A | -2.1988 | |
| 282 | I | A | 0.0000 | |
| 283 | Y | A | -1.3554 | |
| 284 | E | A | -2.4358 | |
| 285 | E | A | -1.8365 | |
| 286 | A | A | 0.0000 | |
| 287 | R | A | -1.9943 | |
| 288 | K | A | -1.3339 | |
| 289 | F | A | 0.0000 | |
| 290 | S | A | 0.0000 | |
| 291 | Y | A | 0.0000 | |
| 292 | R | A | -1.3302 | |
| 293 | S | A | -1.4854 | |
| 294 | R | A | -2.2724 | |
| 295 | V | A | 0.0000 | |
| 296 | R | A | -1.5086 | |
| 297 | P | A | -0.9916 | |
| 298 | C | A | 0.0000 | |
| 299 | V | A | -0.1893 | |
| 300 | V | A | 0.0000 | |
| 301 | Y | A | -0.8623 | |
| 302 | G | A | -1.0449 | |
| 303 | G | A | -1.0795 | |
| 304 | A | A | -1.3169 | |
| 305 | D | A | -1.8868 | |
| 306 | I | A | -1.0114 | |
| 307 | G | A | -1.3777 | |
| 308 | Q | A | -2.2525 | |
| 309 | Q | A | 0.0000 | |
| 310 | I | A | -2.2121 | |
| 311 | R | A | -3.0768 | |
| 312 | D | A | -2.3734 | |
| 313 | L | A | 0.0000 | |
| 314 | E | A | -3.2679 | |
| 315 | R | A | -3.2881 | |
| 316 | G | A | 0.0000 | |
| 317 | C | A | 0.0000 | |
| 318 | H | A | -0.4393 | |
| 319 | L | A | 0.0000 | |
| 320 | L | A | 0.0000 | |
| 321 | V | A | 0.0000 | |
| 322 | A | A | 0.0000 | |
| 323 | T | A | 0.0000 | |
| 324 | P | A | 0.0000 | |
| 325 | G | A | -0.5062 | |
| 326 | R | A | -0.4917 | |
| 327 | L | A | 0.0000 | |
| 328 | V | A | -1.2594 | |
| 329 | D | A | -1.7232 | |
| 330 | M | A | 0.0000 | |
| 331 | M | A | -2.0028 | |
| 332 | E | A | -2.8456 | |
| 333 | R | A | -2.8255 | |
| 334 | G | A | -2.5343 | |
| 335 | K | A | -2.5581 | |
| 336 | I | A | 0.0000 | |
| 337 | G | A | -1.1131 | |
| 338 | L | A | 0.0000 | |
| 339 | D | A | -1.4556 | |
| 340 | F | A | -0.5820 | |
| 341 | C | A | 0.0000 | |
| 342 | K | A | -0.6949 | |
| 343 | Y | A | 0.0000 | |
| 344 | L | A | 0.0000 | |
| 345 | V | A | 0.0000 | |
| 346 | L | A | 0.0000 | |
| 347 | D | A | 0.0000 | |
| 348 | E | A | -0.8215 | |
| 349 | A | A | 0.0000 | |
| 350 | D | A | -1.6339 | |
| 351 | R | A | -2.2099 | |
| 352 | M | A | 0.0000 | |
| 353 | L | A | -1.7984 | |
| 354 | D | A | -2.4725 | |
| 355 | M | A | -1.0071 | |
| 356 | G | A | -1.1180 | |
| 357 | F | A | -1.1010 | |
| 358 | E | A | -1.5630 | |
| 359 | P | A | -1.4187 | |
| 360 | Q | A | -1.7292 | |
| 361 | I | A | 0.0000 | |
| 362 | R | A | -2.6718 | |
| 363 | R | A | -3.2927 | |
| 364 | I | A | 0.0000 | |
| 365 | V | A | 0.0000 | |
| 366 | E | A | -3.3652 | |
| 367 | Q | A | -3.3666 | |
| 368 | D | A | -3.1668 | |
| 369 | T | A | -1.7483 | |
| 370 | M | A | 0.0000 | |
| 371 | P | A | -0.8521 | |
| 372 | P | A | -0.9456 | |
| 373 | K | A | -1.5751 | |
| 374 | G | A | -1.0412 | |
| 375 | V | A | 0.3151 | |
| 376 | R | A | 0.0000 | |
| 377 | H | A | -0.7247 | |
| 378 | T | A | 0.0000 | |
| 379 | M | A | 0.0000 | |
| 380 | M | A | 0.0000 | |
| 381 | F | A | 0.0000 | |
| 382 | S | A | 0.0000 | |
| 383 | A | A | -0.5444 | |
| 384 | T | A | -0.3493 | |
| 385 | F | A | -0.1381 | |
| 386 | P | A | -1.2015 | |
| 387 | K | A | -2.3848 | |
| 388 | E | A | -2.6398 | |
| 389 | I | A | 0.0000 | |
| 390 | Q | A | -1.5792 | |
| 391 | M | A | -1.5723 | |
| 392 | L | A | 0.0000 | |
| 393 | A | A | 0.0000 | |
| 394 | R | A | -2.7570 | |
| 395 | D | A | -2.8224 | |
| 396 | F | A | 0.0000 | |
| 397 | L | A | 0.0000 | |
| 398 | D | A | -2.3726 | |
| 399 | E | A | -2.8424 | |
| 400 | Y | A | -1.4959 | |
| 401 | I | A | 0.0000 | |
| 402 | F | A | -0.0186 | |
| 403 | L | A | 0.0000 | |
| 404 | A | A | -0.3820 | |
| 405 | V | A | -0.3679 | |
| 406 | G | A | -0.5864 | |
| 412 | S | A | -1.8272 | |
| 413 | E | A | -3.1949 | |
| 414 | N | A | -2.0471 | |
| 415 | I | A | 0.0000 | |
| 416 | T | A | -1.1507 | |
| 417 | Q | A | 0.0000 | |
| 418 | K | A | -1.3948 | |
| 419 | V | A | 0.0000 | |
| 420 | V | A | 0.1634 | |
| 421 | W | A | -0.3883 | |
| 422 | V | A | 0.0000 | |
| 423 | E | A | -3.4186 | |
| 424 | E | A | -3.2282 | |
| 425 | S | A | -2.2842 | |
| 426 | D | A | -2.8492 | |
| 427 | K | A | 0.0000 | |
| 428 | R | A | -1.9435 | |
| 429 | S | A | -1.2629 | |
| 430 | F | A | -0.8745 | |
| 431 | L | A | 0.0000 | |
| 432 | L | A | -1.2104 | |
| 433 | D | A | -1.9780 | |
| 434 | L | A | -0.8206 | |
| 435 | L | A | 0.0000 | |
| 436 | N | A | -1.9635 | |
| 437 | A | A | -1.2108 | |
| 438 | T | A | -1.5033 | |
| 439 | G | A | -2.0065 | |
| 440 | K | A | -2.9163 | |
| 441 | D | A | -3.0328 | |
| 442 | S | A | -1.8432 | |
| 443 | L | A | -1.4662 | |
| 444 | T | A | 0.0000 | |
| 445 | L | A | 0.0000 | |
| 446 | V | A | 0.0000 | |
| 447 | F | A | 0.0000 | |
| 448 | V | A | 0.0000 | |
| 449 | E | A | -1.7351 | |
| 450 | T | A | -1.7648 | |
| 451 | K | A | -2.4916 | |
| 452 | K | A | -2.5798 | |
| 453 | G | A | -1.8022 | |
| 454 | A | A | 0.0000 | |
| 455 | D | A | -1.9016 | |
| 456 | S | A | -1.4522 | |
| 457 | L | A | 0.0000 | |
| 458 | E | A | -1.3708 | |
| 459 | D | A | -1.8872 | |
| 460 | F | A | -1.2123 | |
| 461 | L | A | 0.0000 | |
| 462 | Y | A | -0.3291 | |
| 463 | H | A | -1.5705 | |
| 464 | E | A | -1.8404 | |
| 465 | G | A | -1.0499 | |
| 466 | Y | A | -0.4396 | |
| 467 | A | A | -0.3627 | |
| 468 | C | A | -0.2551 | |
| 469 | T | A | 0.0000 | |
| 470 | S | A | 0.0000 | |
| 471 | I | A | 0.0000 | |
| 472 | H | A | 0.0000 | |
| 473 | G | A | -1.6882 | |
| 474 | D | A | -2.5553 | |
| 475 | R | A | -2.5410 | |
| 476 | S | A | -2.7191 | |
| 477 | Q | A | -3.5412 | |
| 478 | R | A | -4.0001 | |
| 479 | D | A | -3.6621 | |
| 480 | R | A | -3.6327 | |
| 481 | E | A | -4.3406 | |
| 482 | E | A | -4.0954 | |
| 483 | A | A | 0.0000 | |
| 484 | L | A | -2.3925 | |
| 485 | H | A | -3.3276 | |
| 486 | Q | A | -2.8698 | |
| 487 | F | A | 0.0000 | |
| 488 | R | A | -2.9492 | |
| 489 | S | A | -2.1574 | |
| 490 | G | A | -2.5694 | |
| 491 | K | A | -2.6962 | |
| 492 | S | A | 0.0000 | |
| 493 | P | A | -1.5134 | |
| 494 | I | A | 0.0000 | |
| 495 | L | A | 0.0000 | |
| 496 | V | A | 0.0000 | |
| 497 | A | A | 0.0000 | |
| 498 | T | A | 0.0000 | |
| 499 | A | A | -0.7236 | |
| 500 | V | A | -0.4145 | |
| 501 | A | A | 0.0000 | |
| 502 | A | A | 0.0000 | |
| 503 | R | A | -1.7652 | |
| 504 | G | A | -0.6197 | |
| 505 | L | A | 0.9250 | |
| 508 | S | A | -1.1815 | |
| 509 | N | A | -2.0641 | |
| 510 | V | A | 0.0000 | |
| 511 | K | A | -1.1097 | |
| 512 | H | A | 0.0000 | |
| 513 | V | A | 0.0000 | |
| 514 | I | A | 0.0000 | |
| 515 | N | A | 0.0000 | |
| 516 | F | A | -0.2248 | |
| 517 | D | A | 0.0000 | |
| 518 | L | A | 0.0000 | |
| 519 | P | A | 0.0000 | |
| 520 | S | A | -1.9053 | |
| 521 | D | A | -2.7473 | |
| 522 | I | A | 0.0000 | |
| 523 | E | A | -2.5825 | |
| 524 | E | A | -1.8105 | |
| 525 | Y | A | 0.0000 | |
| 526 | V | A | -0.3862 | |
| 527 | H | A | -1.2824 | |
| 528 | R | A | 0.0000 | |
| 529 | I | A | 0.0000 | |
| 530 | G | A | -0.9737 | |
| 531 | R | A | -1.2169 | |
| 532 | T | A | -1.0493 | |
| 533 | G | A | -1.0609 | |
| 538 | L | A | 1.1107 | |
| 539 | G | A | 0.0000 | |
| 540 | L | A | -0.0699 | |
| 541 | A | A | 0.0000 | |
| 542 | T | A | 0.0000 | |
| 543 | S | A | 0.0000 | |
| 544 | F | A | 0.0000 | |
| 545 | F | A | 0.0000 | |
| 546 | N | A | 0.0000 | |
| 547 | E | A | -3.1299 | |
| 548 | R | A | -3.2563 | |
| 549 | N | A | 0.0000 | |
| 550 | I | A | -1.6856 | |
| 551 | N | A | -2.3088 | |
| 552 | I | A | 0.0000 | |
| 553 | T | A | 0.0000 | |
| 554 | K | A | -1.4593 | |
| 555 | D | A | -2.0352 | |
| 556 | L | A | 0.0000 | |
| 557 | L | A | 0.0000 | |
| 558 | D | A | -1.0063 | |
| 559 | L | A | -0.4837 | |
| 560 | L | A | 0.0000 | |
| 561 | V | A | -0.1593 | |
| 562 | E | A | -1.8254 | |
| 563 | A | A | 0.0000 | |
| 564 | K | A | -2.5263 | |
| 565 | Q | A | -2.1577 | |
| 566 | E | A | -2.0459 | |
| 567 | V | A | -0.8442 | |
| 568 | P | A | -0.7529 | |
| 569 | S | A | -0.7569 | |
| 570 | W | A | -0.2407 | |
| 571 | L | A | 0.0000 | |
| 572 | E | A | -1.4222 | |
| 573 | N | A | -1.6022 | |
| 574 | M | A | -1.2490 | |
| 575 | A | A | 0.0000 | |
| 576 | Y | A | -0.4004 | |
| 577 | E | A | -1.9236 | |
| 578 | H | A | -1.8507 | |
| 579 | H | A | -0.7678 | |
| 580 | Y | A | 0.4726 | |
| 134 | D | B | -3.1619 | |
| 135 | D | B | -3.5063 | |
| 136 | W | B | 0.0000 | |
| 137 | S | B | -2.5023 | |
| 138 | K | B | -2.9413 | |
| 139 | P | B | -1.6118 | |
| 140 | L | B | -0.4647 | |
| 141 | P | B | -0.4923 | |
| 142 | P | B | -1.1319 | |
| 143 | S | B | -1.8993 | |
| 144 | E | B | -3.3423 | |
| 145 | R | B | -3.4563 | |
| 146 | L | B | -2.3353 | |
| 147 | E | B | -2.6392 | |
| 148 | Q | B | -3.2230 | |
| 149 | E | B | -3.2030 | |
| 150 | L | B | 0.0000 | |
| 151 | F | B | 0.0000 | |
| 152 | S | B | -1.6259 | |
| 153 | G | B | -1.3907 | |
| 154 | G | B | -1.4342 | |
| 155 | N | B | -1.2504 | |
| 156 | T | B | -0.5320 | |
| 157 | G | B | -0.3015 | |
| 158 | I | B | 0.7312 | |
| 159 | N | B | -1.1868 | |
| 160 | F | B | 0.0000 | |
| 161 | E | B | -2.7990 | |
| 162 | K | B | -2.7469 | |
| 163 | Y | B | -1.0629 | |
| 164 | D | B | -1.9523 | |
| 165 | D | B | -2.0720 | |
| 166 | I | B | -0.6065 | |
| 167 | P | B | -0.6663 | |
| 168 | V | B | -0.6540 | |
| 169 | E | B | -1.6568 | |
| 170 | A | B | -0.7903 | |
| 171 | T | B | -0.8078 | |
| 172 | G | B | -1.4506 | |
| 173 | N | B | -2.2245 | |
| 174 | N | B | -2.1002 | |
| 175 | C | B | -1.2441 | |
| 176 | P | B | 0.0000 | |
| 177 | P | B | -0.9194 | |
| 178 | H | B | -1.6760 | |
| 179 | I | B | 0.0000 | |
| 180 | E | B | -2.5939 | |
| 181 | S | B | -1.8367 | |
| 182 | F | B | 0.0000 | |
| 183 | S | B | -1.8020 | |
| 184 | D | B | -2.5589 | |
| 185 | V | B | -1.5257 | |
| 186 | E | B | -1.8488 | |
| 187 | M | B | 0.0000 | |
| 188 | G | B | -1.6609 | |
| 189 | E | B | -2.5847 | |
| 190 | I | B | 0.0000 | |
| 191 | I | B | 0.0000 | |
| 192 | M | B | -1.3066 | |
| 193 | G | B | -1.5546 | |
| 194 | N | B | 0.0000 | |
| 195 | I | B | 0.0000 | |
| 196 | E | B | -2.2445 | |
| 197 | L | B | -1.1575 | |
| 198 | T | B | 0.0000 | |
| 199 | R | B | -1.6190 | |
| 200 | Y | B | -0.8327 | |
| 201 | T | B | -0.9141 | |
| 202 | R | B | -1.3624 | |
| 203 | P | B | 0.0000 | |
| 204 | T | B | -0.5637 | |
| 205 | P | B | -0.4061 | |
| 206 | V | B | 0.0000 | |
| 207 | Q | B | 0.0000 | |
| 208 | K | B | -1.2306 | |
| 209 | H | B | -0.9338 | |
| 210 | A | B | 0.0000 | |
| 211 | I | B | 0.0000 | |
| 212 | P | B | 0.0000 | |
| 213 | I | B | 0.0000 | |
| 214 | I | B | 0.0000 | |
| 215 | K | B | -1.6188 | |
| 216 | E | B | -2.5886 | |
| 217 | K | B | -2.2588 | |
| 218 | R | B | -2.0787 | |
| 219 | D | B | 0.0000 | |
| 220 | L | B | 0.0000 | |
| 221 | M | B | 0.0000 | |
| 222 | A | B | 0.0000 | |
| 223 | C | B | -0.0343 | |
| 224 | A | B | 0.0000 | |
| 225 | Q | B | -1.3116 | |
| 226 | T | B | -0.8897 | |
| 227 | G | B | -0.6290 | |
| 228 | S | B | -0.4750 | |
| 229 | G | B | -0.2738 | |
| 230 | K | B | 0.0000 | |
| 231 | T | B | -0.2533 | |
| 232 | A | B | 0.0000 | |
| 233 | A | B | 0.0000 | |
| 234 | F | B | 0.0000 | |
| 235 | L | B | 0.0000 | |
| 236 | L | B | 0.0000 | |
| 237 | P | B | 0.0000 | |
| 238 | I | B | 0.0000 | |
| 239 | L | B | 0.0000 | |
| 240 | S | B | 0.0000 | |
| 241 | Q | B | 0.0000 | |
| 242 | I | B | 0.0000 | |
| 243 | Y | B | 0.0000 | |
| 244 | S | B | -1.8927 | |
| 245 | D | B | -2.2316 | |
| 246 | G | B | -2.2970 | |
| 247 | P | B | -1.7831 | |
| 248 | G | B | -1.8594 | |
| 249 | E | B | -2.4488 | |
| 250 | A | B | -1.3469 | |
| 251 | L | B | -1.7898 | |
| 252 | R | B | -3.1569 | |
| 253 | A | B | -1.7629 | |
| 254 | M | B | -1.8807 | |
| 255 | K | B | -3.1301 | |
| 256 | E | B | -3.8027 | |
| 257 | N | B | -3.5743 | |
| 258 | G | B | -2.6055 | |
| 259 | R | B | -2.2947 | |
| 260 | Y | B | -0.7164 | |
| 261 | G | B | -2.7098 | |
| 262 | R | B | -3.1960 | |
| 263 | R | B | -3.2320 | |
| 264 | K | B | -2.2581 | |
| 265 | Q | B | 0.0000 | |
| 266 | Y | B | -0.0299 | |
| 267 | P | B | 0.0000 | |
| 268 | I | B | 0.0000 | |
| 269 | S | B | 0.0000 | |
| 270 | L | B | 0.0000 | |
| 271 | V | B | 0.0000 | |
| 272 | L | B | 0.0000 | |
| 273 | A | B | 0.0000 | |
| 274 | P | B | 0.0000 | |
| 275 | T | B | -1.5098 | |
| 276 | R | B | -2.6729 | |
| 277 | E | B | -2.6233 | |
| 278 | L | B | -1.4312 | |
| 279 | A | B | 0.0000 | |
| 280 | V | B | -1.2173 | |
| 281 | Q | B | -1.8953 | |
| 282 | I | B | 0.0000 | |
| 283 | Y | B | -0.7286 | |
| 284 | E | B | -1.5054 | |
| 285 | E | B | 0.0000 | |
| 286 | A | B | 0.0000 | |
| 287 | R | B | -0.9991 | |
| 288 | K | B | 0.0000 | |
| 289 | F | B | 0.0000 | |
| 290 | S | B | 0.0000 | |
| 291 | Y | B | 0.0000 | |
| 292 | R | B | -1.0477 | |
| 293 | S | B | -0.9702 | |
| 294 | R | B | -1.4145 | |
| 295 | V | B | 0.0000 | |
| 296 | R | B | -1.1674 | |
| 297 | P | B | -0.6105 | |
| 298 | C | B | 0.0000 | |
| 299 | V | B | -0.1360 | |
| 300 | V | B | 0.0000 | |
| 301 | Y | B | -0.9082 | |
| 302 | G | B | -1.1490 | |
| 303 | G | B | -1.1592 | |
| 304 | A | B | -1.4066 | |
| 305 | D | B | -1.9807 | |
| 306 | I | B | -1.2167 | |
| 307 | G | B | -1.4556 | |
| 308 | Q | B | -2.3207 | |
| 309 | Q | B | 0.0000 | |
| 310 | I | B | -2.1083 | |
| 311 | R | B | -3.1248 | |
| 312 | D | B | -2.2354 | |
| 313 | L | B | 0.0000 | |
| 314 | E | B | -3.5155 | |
| 315 | R | B | -3.5116 | |
| 316 | G | B | 0.0000 | |
| 317 | C | B | 0.0000 | |
| 318 | H | B | -0.3083 | |
| 319 | L | B | 0.0000 | |
| 320 | L | B | 0.0000 | |
| 321 | V | B | 0.0000 | |
| 322 | A | B | 0.0000 | |
| 323 | T | B | 0.0000 | |
| 324 | P | B | 0.0000 | |
| 325 | G | B | -0.5108 | |
| 326 | R | B | -0.5068 | |
| 327 | L | B | 0.0000 | |
| 328 | V | B | -1.1865 | |
| 329 | D | B | -1.6519 | |
| 330 | M | B | 0.0000 | |
| 331 | M | B | -1.6356 | |
| 332 | E | B | -2.5356 | |
| 333 | R | B | -2.3723 | |
| 334 | G | B | -1.8144 | |
| 335 | K | B | -1.8861 | |
| 336 | I | B | 0.0000 | |
| 337 | G | B | 0.0000 | |
| 338 | L | B | 0.0000 | |
| 339 | D | B | -1.2105 | |
| 340 | F | B | -0.2492 | |
| 341 | C | B | 0.0000 | |
| 342 | K | B | -0.6604 | |
| 343 | Y | B | 0.0000 | |
| 344 | L | B | 0.0000 | |
| 345 | V | B | 0.0000 | |
| 346 | L | B | 0.0000 | |
| 347 | D | B | 0.0000 | |
| 348 | E | B | -0.7763 | |
| 349 | A | B | 0.0000 | |
| 350 | D | B | -1.6669 | |
| 351 | R | B | -2.2642 | |
| 352 | M | B | 0.0000 | |
| 353 | L | B | -1.8046 | |
| 354 | D | B | -2.4805 | |
| 355 | M | B | -1.0166 | |
| 356 | G | B | -1.2090 | |
| 357 | F | B | -1.2716 | |
| 358 | E | B | -1.8914 | |
| 359 | P | B | -1.6004 | |
| 360 | Q | B | -1.7930 | |
| 361 | I | B | 0.0000 | |
| 362 | R | B | -2.8661 | |
| 363 | R | B | -3.0804 | |
| 364 | I | B | 0.0000 | |
| 365 | V | B | 0.0000 | |
| 366 | E | B | -3.1153 | |
| 367 | Q | B | -3.1581 | |
| 368 | D | B | -2.9491 | |
| 369 | T | B | -1.5863 | |
| 370 | M | B | 0.0000 | |
| 371 | P | B | -0.7410 | |
| 372 | P | B | -0.9086 | |
| 373 | K | B | -1.5405 | |
| 374 | G | B | -1.0777 | |
| 375 | V | B | 0.3108 | |
| 376 | R | B | 0.0000 | |
| 377 | H | B | -0.7743 | |
| 378 | T | B | 0.0000 | |
| 379 | M | B | 0.0000 | |
| 380 | M | B | 0.0000 | |
| 381 | F | B | 0.0000 | |
| 382 | S | B | 0.0000 | |
| 383 | A | B | -0.7091 | |
| 384 | T | B | -0.5309 | |
| 385 | F | B | -0.3976 | |
| 386 | P | B | -1.2502 | |
| 387 | K | B | -2.2912 | |
| 388 | E | B | -2.3324 | |
| 389 | I | B | 0.0000 | |
| 390 | Q | B | -1.6495 | |
| 391 | M | B | -1.3668 | |
| 392 | L | B | 0.0000 | |
| 393 | A | B | 0.0000 | |
| 394 | R | B | -2.7390 | |
| 395 | D | B | -2.6484 | |
| 396 | F | B | 0.0000 | |
| 397 | L | B | 0.0000 | |
| 398 | D | B | -2.4552 | |
| 399 | E | B | -2.9052 | |
| 400 | Y | B | -1.6997 | |
| 401 | I | B | 0.0000 | |
| 402 | F | B | -0.0444 | |
| 403 | L | B | 0.0000 | |
| 404 | A | B | -0.4454 | |
| 405 | V | B | -0.4224 | |
| 406 | G | B | -0.4780 | |
| 412 | S | B | -1.8013 | |
| 413 | E | B | -3.1302 | |
| 414 | N | B | -2.1444 | |
| 415 | I | B | -1.0973 | |
| 416 | T | B | -1.0091 | |
| 417 | Q | B | 0.0000 | |
| 418 | K | B | -1.2769 | |
| 419 | V | B | 0.0000 | |
| 420 | V | B | 0.2164 | |
| 421 | W | B | -0.2718 | |
| 422 | V | B | 0.0000 | |
| 423 | E | B | -2.9791 | |
| 424 | E | B | -2.7801 | |
| 425 | S | B | -2.0516 | |
| 426 | D | B | -2.6802 | |
| 427 | K | B | 0.0000 | |
| 428 | R | B | -1.8273 | |
| 429 | S | B | -1.2472 | |
| 430 | F | B | -0.8099 | |
| 431 | L | B | 0.0000 | |
| 432 | L | B | -1.2470 | |
| 433 | D | B | -1.9893 | |
| 434 | L | B | -0.8657 | |
| 435 | L | B | 0.0000 | |
| 436 | N | B | -1.9867 | |
| 437 | A | B | -1.2435 | |
| 438 | T | B | -1.5422 | |
| 439 | G | B | -2.1145 | |
| 440 | K | B | -2.9563 | |
| 441 | D | B | -3.0735 | |
| 442 | S | B | -1.8871 | |
| 443 | L | B | -1.4466 | |
| 444 | T | B | 0.0000 | |
| 445 | L | B | 0.0000 | |
| 446 | V | B | 0.0000 | |
| 447 | F | B | 0.0000 | |
| 448 | V | B | 0.0000 | |
| 449 | E | B | -1.7104 | |
| 450 | T | B | -1.8153 | |
| 451 | K | B | -2.5940 | |
| 452 | K | B | -2.6408 | |
| 453 | G | B | -2.0318 | |
| 454 | A | B | 0.0000 | |
| 455 | D | B | -2.0046 | |
| 456 | S | B | -1.6457 | |
| 457 | L | B | 0.0000 | |
| 458 | E | B | -1.4745 | |
| 459 | D | B | -2.0648 | |
| 460 | F | B | -1.3528 | |
| 461 | L | B | 0.0000 | |
| 462 | Y | B | -0.4626 | |
| 463 | H | B | -1.7680 | |
| 464 | E | B | -2.2122 | |
| 465 | G | B | -1.2307 | |
| 466 | Y | B | -0.5275 | |
| 467 | A | B | -0.4022 | |
| 468 | C | B | -0.2553 | |
| 469 | T | B | 0.0000 | |
| 470 | S | B | 0.0000 | |
| 471 | I | B | 0.0000 | |
| 472 | H | B | 0.0000 | |
| 473 | G | B | -1.6647 | |
| 474 | D | B | -2.6517 | |
| 475 | R | B | -2.7424 | |
| 476 | S | B | -2.9017 | |
| 477 | Q | B | -3.5945 | |
| 478 | R | B | -4.0833 | |
| 479 | D | B | -4.1734 | |
| 480 | R | B | -3.4381 | |
| 481 | E | B | -3.6080 | |
| 482 | E | B | -3.4971 | |
| 483 | A | B | 0.0000 | |
| 484 | L | B | -2.4026 | |
| 485 | H | B | -2.9767 | |
| 486 | Q | B | -2.5675 | |
| 487 | F | B | 0.0000 | |
| 488 | R | B | -3.0944 | |
| 489 | S | B | -2.1120 | |
| 490 | G | B | -2.5198 | |
| 491 | K | B | -2.6613 | |
| 492 | S | B | 0.0000 | |
| 493 | P | B | -1.4908 | |
| 494 | I | B | 0.0000 | |
| 495 | L | B | 0.0000 | |
| 496 | V | B | 0.0000 | |
| 497 | A | B | 0.0000 | |
| 498 | T | B | 0.0000 | |
| 499 | A | B | -0.7847 | |
| 500 | V | B | -0.5183 | |
| 501 | A | B | 0.0000 | |
| 502 | A | B | 0.0000 | |
| 503 | R | B | -2.2387 | |
| 504 | G | B | -1.6663 | |
| 505 | L | B | -0.8082 | |
| 506 | D | B | -2.2169 | |
| 509 | N | B | -2.2274 | |
| 510 | V | B | 0.0000 | |
| 511 | K | B | -1.0683 | |
| 512 | H | B | 0.0000 | |
| 513 | V | B | 0.0000 | |
| 514 | I | B | 0.0000 | |
| 515 | N | B | 0.0000 | |
| 516 | F | B | -0.2701 | |
| 517 | D | B | -0.8812 | |
| 518 | L | B | 0.0000 | |
| 519 | P | B | 0.0000 | |
| 520 | S | B | -1.9334 | |
| 521 | D | B | -2.6859 | |
| 522 | I | B | 0.0000 | |
| 523 | E | B | -2.5393 | |
| 524 | E | B | -1.8918 | |
| 525 | Y | B | 0.0000 | |
| 526 | V | B | -0.4278 | |
| 527 | H | B | -1.2932 | |
| 528 | R | B | 0.0000 | |
| 529 | I | B | 0.0000 | |
| 530 | G | B | -0.8554 | |
| 531 | R | B | -1.4855 | |
| 532 | T | B | -0.9198 | |
| 533 | G | B | -1.0704 | |
| 538 | L | B | 1.1527 | |
| 539 | G | B | 0.0000 | |
| 540 | L | B | -0.0087 | |
| 541 | A | B | 0.0000 | |
| 542 | T | B | 0.0000 | |
| 543 | S | B | 0.0000 | |
| 544 | F | B | 0.0000 | |
| 545 | F | B | 0.0000 | |
| 546 | N | B | 0.0000 | |
| 547 | E | B | -3.0577 | |
| 548 | R | B | -3.2468 | |
| 549 | N | B | -2.1024 | |
| 550 | I | B | -1.7071 | |
| 551 | N | B | -2.3226 | |
| 552 | I | B | 0.0000 | |
| 553 | T | B | 0.0000 | |
| 554 | K | B | -1.5028 | |
| 555 | D | B | -2.1979 | |
| 556 | L | B | 0.0000 | |
| 557 | L | B | 0.0000 | |
| 558 | D | B | -0.9454 | |
| 559 | L | B | 0.0000 | |
| 560 | L | B | 0.0000 | |
| 561 | V | B | -0.1517 | |
| 562 | E | B | -1.9014 | |
| 563 | A | B | 0.0000 | |
| 564 | K | B | -2.7126 | |
| 565 | Q | B | -2.3086 | |
| 566 | E | B | -2.0257 | |
| 567 | V | B | -0.8505 | |
| 568 | P | B | -0.7374 | |
| 569 | S | B | -0.7887 | |
| 570 | W | B | -0.2348 | |
| 571 | L | B | 0.0000 | |
| 572 | E | B | -1.4798 | |
| 573 | N | B | -1.6117 | |
| 574 | M | B | -1.2897 | |
| 575 | A | B | 0.0000 | |
| 576 | Y | B | -0.2971 | |
| 577 | E | B | -1.8983 | |
| 578 | H | B | -1.8420 | |
| 579 | H | B | -0.7531 | |
| 580 | Y | B | 0.5349 |
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 | -0.9115 | 2.4264 | View | CSV | PDB |
| 4.5 | -1.0067 | 2.2437 | View | CSV | PDB |
| 5.0 | -1.1266 | 2.1931 | View | CSV | PDB |
| 5.5 | -1.2524 | 2.2193 | View | CSV | PDB |
| 6.0 | -1.3659 | 2.26 | View | CSV | PDB |
| 6.5 | -1.4531 | 2.3097 | View | CSV | PDB |
| 7.0 | -1.5085 | 2.3632 | View | CSV | PDB |
| 7.5 | -1.5389 | 2.4179 | View | CSV | PDB |
| 8.0 | -1.5539 | 2.4728 | View | CSV | PDB |
| 8.5 | -1.557 | 2.5271 | View | CSV | PDB |
| 9.0 | -1.5476 | 2.5789 | 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