| Chain sequence(s) |
A: MMRARFPLLLLGVVFLASVSVSFGIAYWEKQNPSHNKCLRSCNSEKDSYRNQACHARCNLLKVEEEEECEEGQIPRPRPQHPERERQQHGEKEEDEGEQPRPFPFPRPRQPHQEEEHEQKEEHEWHRKEEKHGGKGSEEEQDEREHPRPHQPHQKEEEKHEWQHKQEKHQGKESEEEEEDQDEDEEQDKESQESEGSESQREPRRHKNKNPFHFNSKRFQTLFKNQYGHVRVLQRFNKRSQQLQNLRDYRILEFNSKPNTLLLPHHADADYLIVILNGTAILTLVNNDDRDSYNLQSGDALRVPAGTTYYVVNPDNDENLRMITLAIPVNKPGRFESFFLSSTQAQQSYLQGFSKNILEASYDTKFEEINKVLFGREEGQQQGEERLQESVIVEISKKQIRELSKHAKSSSRKTISSEDKPFNLRSRDPIYSNKLGKLFEITPEKNPQLRDLDVFLSVVDMNEGALFLPHFNSKAIVVLVINEGEANIELVGIKEQQQRQQQEEQPLEVRKYRAELSEQDIFVIPAGYPVVVNATSDLNFFAFGINAENNQRNFLAGSKDNVISQIPSQVQELAFPGSAKDIENLIKSQSESYFVDAQPQQKEEGNKGRKGPLSSILRAFY
input PDB |
| Selected Chain(s) | A |
| Distance of aggregation | 10 Å |
| FoldX usage | Yes |
| pH calculations | Yes |
| alphaCutter usage |
A: MMRARFPLLLLGVVFLASVSVSFGIAY WEKQNPSHNKCLRSCNSEKDSYRNQACHARCNLLKVEEEEECEEGQIPRPRPQHPERERQQHGEKEEDEGEQPRPFPFPRPRQPHQEEEHEQKEEHEWHRKEEKHGGKGSEEEQDEREHPRPH QPHQKEEEKHEWQHKQEKHQGKESEEEEEDQDEDEEQDKESQESEGSESQREPRRHKNKNPFHFNSKRFQTLFKNQYGHVRVLQRFNKRSQQLQNLRDYRILEFNSKPNTLLLPHHADADYLIVILNGTAILTLVNNDDRDSYNLQSGDALRVPAGTTYYVVNPDNDENLRMITLAIPVNKPGRFESFFLSSTQAQQSYLQGFSKNILEASYDTKFEEINKVLFGREEGQQQGEERLQESVIVEISKKQIRELSKHAKSSSRKTISSEDKPFNLRSRDPIYSNKLGKLFEITPEKNPQLRDLDVFLSVVDMNEGALFLPHFNSKAIVVLVINEGEANIELVGIKEQQQRQQQEEQPLEVRKYRAELSEQDIFVIPAGYPVVVNATSDLNFFAFGINAENNQRNFLAGSKDNVISQIPSQVQELAFPGSAKDIENLIKSQSESYFVDAQPQQKEEGNKGRKGPLSSILRAFY(Red indicates removed residues) |
| 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 A chain(s) selected (00:00:01)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:01)
[INFO] PDB: Running AlphaCutter (00:00:01)
[INFO] PDB-Info: The input structure is globular. Max score is recommended for pH analysis. (00:00:12)
[INFO] FoldX: Starting FoldX energy minimization (00:00:12)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:13:27)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/69ab1b385e53ad2/tmp/folded.pdb (00:13:27)
[INFO] Main: Simulation completed successfully. (00:16:59)
|
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 |
|---|---|---|---|---|
| 28 | W | A | -0.6977 | |
| 29 | E | A | -2.5135 | |
| 30 | K | A | -2.8549 | |
| 31 | Q | A | -2.2917 | |
| 32 | N | A | 0.0000 | |
| 33 | P | A | -1.8122 | |
| 34 | S | A | -1.1337 | |
| 35 | H | A | 0.0000 | |
| 36 | N | A | -2.1861 | |
| 37 | K | A | -2.4115 | |
| 38 | C | A | -1.7925 | |
| 39 | L | A | -1.8325 | |
| 40 | R | A | -2.8591 | |
| 41 | S | A | -2.2537 | |
| 42 | C | A | 0.0000 | |
| 43 | N | A | -2.5183 | |
| 44 | S | A | -2.1442 | |
| 45 | E | A | -2.8363 | |
| 46 | K | A | -2.9162 | |
| 47 | D | A | -2.2979 | |
| 48 | S | A | -1.2423 | |
| 49 | Y | A | -0.2132 | |
| 50 | R | A | -1.3272 | |
| 51 | N | A | -2.2076 | |
| 52 | Q | A | -1.6605 | |
| 53 | A | A | -1.1310 | |
| 54 | C | A | -1.4189 | |
| 55 | H | A | -1.3172 | |
| 56 | A | A | -1.1785 | |
| 57 | R | A | -1.6750 | |
| 58 | C | A | 0.0000 | |
| 59 | N | A | -0.6086 | |
| 60 | L | A | 0.1771 | |
| 61 | L | A | -0.2943 | |
| 62 | K | A | -1.1765 | |
| 63 | V | A | -0.9180 | |
| 64 | E | A | -2.6306 | |
| 65 | E | A | -3.0436 | |
| 66 | E | A | -3.9233 | |
| 67 | E | A | -4.9091 | |
| 68 | E | A | -4.7179 | |
| 69 | C | A | -3.3829 | |
| 70 | E | A | -4.5130 | |
| 71 | E | A | -4.3352 | |
| 72 | G | A | -2.9865 | |
| 73 | Q | A | -2.6109 | |
| 152 | P | A | -1.9947 | |
| 153 | H | A | -3.4245 | |
| 154 | Q | A | -4.4667 | |
| 155 | K | A | -5.2972 | |
| 156 | E | A | -5.5191 | |
| 157 | E | A | -5.7349 | |
| 158 | E | A | -5.6574 | |
| 159 | K | A | -5.3037 | |
| 160 | H | A | -4.8899 | |
| 161 | E | A | -4.8855 | |
| 162 | W | A | -3.0331 | |
| 163 | Q | A | -3.8266 | |
| 164 | H | A | -4.3869 | |
| 165 | K | A | -4.2242 | |
| 166 | Q | A | -4.2926 | |
| 167 | E | A | -5.1037 | |
| 168 | K | A | -4.8445 | |
| 169 | H | A | -4.6283 | |
| 170 | Q | A | -4.5324 | |
| 171 | G | A | -4.0022 | |
| 172 | K | A | -4.6464 | |
| 173 | E | A | -4.1842 | |
| 174 | S | A | -3.9265 | |
| 175 | E | A | -5.1599 | |
| 176 | E | A | -4.8837 | |
| 177 | E | A | -5.2390 | |
| 178 | E | A | -5.7884 | |
| 179 | E | A | -5.8316 | |
| 180 | D | A | -5.2711 | |
| 181 | Q | A | -5.4154 | |
| 182 | D | A | -5.8937 | |
| 183 | E | A | -5.5225 | |
| 184 | D | A | -5.0681 | |
| 185 | E | A | -5.8840 | |
| 186 | E | A | -5.9253 | |
| 187 | Q | A | -5.1156 | |
| 188 | D | A | -5.6001 | |
| 189 | K | A | -5.5813 | |
| 190 | E | A | -5.2756 | |
| 191 | S | A | -4.3891 | |
| 192 | Q | A | -4.5495 | |
| 193 | E | A | -4.2664 | |
| 194 | S | A | -3.1708 | |
| 195 | E | A | -3.5871 | |
| 196 | G | A | -2.5160 | |
| 197 | S | A | -1.8846 | |
| 198 | E | A | -2.6093 | |
| 199 | S | A | -2.3782 | |
| 200 | Q | A | -3.0025 | |
| 201 | R | A | -3.7295 | |
| 202 | E | A | -3.8855 | |
| 203 | P | A | -3.2822 | |
| 204 | R | A | -4.2080 | |
| 205 | R | A | -4.1545 | |
| 206 | H | A | -3.8207 | |
| 207 | K | A | -4.0426 | |
| 208 | N | A | -3.2040 | |
| 209 | K | A | -2.6878 | |
| 210 | N | A | -1.8021 | |
| 211 | P | A | -1.0064 | |
| 212 | F | A | 0.0000 | |
| 213 | H | A | -0.9326 | |
| 214 | F | A | 0.0000 | |
| 215 | N | A | -1.3589 | |
| 216 | S | A | -1.3991 | |
| 217 | K | A | -2.2502 | |
| 218 | R | A | -1.8660 | |
| 219 | F | A | 0.0000 | |
| 220 | Q | A | -1.1437 | |
| 221 | T | A | -0.3492 | |
| 222 | L | A | 0.2371 | |
| 223 | F | A | -0.3125 | |
| 224 | K | A | -1.8156 | |
| 225 | N | A | -1.7759 | |
| 226 | Q | A | -2.1336 | |
| 227 | Y | A | -1.6521 | |
| 228 | G | A | -1.5175 | |
| 229 | H | A | -1.1010 | |
| 230 | V | A | -0.2713 | |
| 231 | R | A | -0.3812 | |
| 232 | V | A | 0.0000 | |
| 233 | L | A | 0.0000 | |
| 234 | Q | A | -1.1250 | |
| 235 | R | A | -1.6835 | |
| 236 | F | A | 0.0000 | |
| 237 | N | A | -2.7383 | |
| 238 | K | A | -2.8153 | |
| 239 | R | A | -2.0433 | |
| 240 | S | A | -1.9849 | |
| 241 | Q | A | -2.7680 | |
| 242 | Q | A | -2.2219 | |
| 243 | L | A | 0.0000 | |
| 244 | Q | A | -2.9944 | |
| 245 | N | A | -2.4117 | |
| 246 | L | A | 0.0000 | |
| 247 | R | A | -2.6856 | |
| 248 | D | A | -1.8487 | |
| 249 | Y | A | -0.8403 | |
| 250 | R | A | -0.5900 | |
| 251 | I | A | 0.0000 | |
| 252 | L | A | 0.0000 | |
| 253 | E | A | 0.0000 | |
| 254 | F | A | 0.0000 | |
| 255 | N | A | -0.9116 | |
| 256 | S | A | 0.0000 | |
| 257 | K | A | -2.8833 | |
| 258 | P | A | -2.7361 | |
| 259 | N | A | 0.0000 | |
| 260 | T | A | 0.0000 | |
| 261 | L | A | -0.5404 | |
| 262 | L | A | 0.0000 | |
| 263 | L | A | 0.0000 | |
| 264 | P | A | 0.2431 | |
| 265 | H | A | 0.0000 | |
| 266 | H | A | -0.2849 | |
| 267 | A | A | 0.0000 | |
| 268 | D | A | -1.1902 | |
| 269 | A | A | 0.0000 | |
| 270 | D | A | -0.0766 | |
| 271 | Y | A | 0.0000 | |
| 272 | L | A | 0.0000 | |
| 273 | I | A | 0.0000 | |
| 274 | V | A | 0.0000 | |
| 275 | I | A | 0.0000 | |
| 276 | L | A | 0.0000 | |
| 277 | N | A | -1.1641 | |
| 278 | G | A | -1.7121 | |
| 279 | T | A | -1.1925 | |
| 280 | A | A | 0.0000 | |
| 281 | I | A | 0.0000 | |
| 282 | L | A | 0.0000 | |
| 283 | T | A | 0.0000 | |
| 284 | L | A | 0.0000 | |
| 285 | V | A | -1.9771 | |
| 286 | N | A | -3.3820 | |
| 287 | N | A | -3.3465 | |
| 288 | D | A | -3.8267 | |
| 289 | D | A | -4.1959 | |
| 290 | R | A | -3.6112 | |
| 291 | D | A | -2.7460 | |
| 292 | S | A | 0.0000 | |
| 293 | Y | A | 0.0000 | |
| 294 | N | A | -1.1435 | |
| 295 | L | A | 0.0000 | |
| 296 | Q | A | -1.4659 | |
| 297 | S | A | -0.9655 | |
| 298 | G | A | 0.0000 | |
| 299 | D | A | 0.0000 | |
| 300 | A | A | 0.0000 | |
| 301 | L | A | 0.0000 | |
| 302 | R | A | -1.0831 | |
| 303 | V | A | 0.0000 | |
| 304 | P | A | -0.4971 | |
| 305 | A | A | 0.0000 | |
| 306 | G | A | -0.5703 | |
| 307 | T | A | 0.0000 | |
| 308 | T | A | -0.4431 | |
| 309 | Y | A | 0.0000 | |
| 310 | Y | A | 0.0000 | |
| 311 | V | A | 0.0000 | |
| 312 | V | A | 0.0000 | |
| 313 | N | A | 0.0000 | |
| 314 | P | A | -1.8348 | |
| 315 | D | A | -2.5803 | |
| 316 | N | A | -3.2779 | |
| 317 | D | A | -3.6287 | |
| 318 | E | A | -3.5020 | |
| 319 | N | A | -2.8063 | |
| 320 | L | A | 0.0000 | |
| 321 | R | A | -0.9005 | |
| 322 | M | A | 0.0000 | |
| 323 | I | A | 0.0000 | |
| 324 | T | A | 0.0000 | |
| 325 | L | A | 0.0000 | |
| 326 | A | A | 0.0000 | |
| 327 | I | A | -0.3728 | |
| 328 | P | A | 0.0000 | |
| 329 | V | A | -0.9601 | |
| 330 | N | A | -2.1970 | |
| 331 | K | A | -2.7204 | |
| 332 | P | A | -1.8838 | |
| 333 | G | A | 0.0000 | |
| 334 | R | A | -2.4123 | |
| 335 | F | A | -1.7411 | |
| 336 | E | A | -2.0864 | |
| 337 | S | A | -0.5858 | |
| 338 | F | A | 0.0284 | |
| 339 | F | A | 0.0000 | |
| 340 | L | A | 0.7268 | |
| 341 | S | A | 0.2157 | |
| 342 | S | A | -0.6620 | |
| 343 | T | A | 0.0000 | |
| 344 | Q | A | -2.6480 | |
| 345 | A | A | -1.3517 | |
| 346 | Q | A | -1.0248 | |
| 347 | Q | A | -1.2824 | |
| 348 | S | A | 0.0000 | |
| 349 | Y | A | 0.5341 | |
| 350 | L | A | 0.5440 | |
| 351 | Q | A | -0.3418 | |
| 352 | G | A | -0.1861 | |
| 353 | F | A | 0.8036 | |
| 354 | S | A | -0.4173 | |
| 355 | K | A | -2.1575 | |
| 356 | N | A | -1.5636 | |
| 357 | I | A | 0.4559 | |
| 358 | L | A | 0.0000 | |
| 359 | E | A | -2.2039 | |
| 360 | A | A | -1.0162 | |
| 361 | S | A | -0.5169 | |
| 362 | Y | A | -0.6678 | |
| 363 | D | A | -1.9080 | |
| 364 | T | A | -2.2429 | |
| 365 | K | A | -3.4355 | |
| 366 | F | A | -2.8872 | |
| 367 | E | A | -3.8337 | |
| 368 | E | A | -2.7979 | |
| 369 | I | A | 0.0000 | |
| 370 | N | A | -2.0406 | |
| 371 | K | A | -1.9052 | |
| 372 | V | A | 0.7452 | |
| 373 | L | A | 0.8748 | |
| 374 | F | A | 0.0000 | |
| 375 | G | A | -1.7671 | |
| 376 | R | A | -3.4308 | |
| 377 | E | A | -3.3166 | |
| 378 | E | A | -3.5234 | |
| 379 | G | A | -2.2730 | |
| 380 | Q | A | -2.7407 | |
| 381 | Q | A | -3.0886 | |
| 382 | Q | A | -3.3616 | |
| 383 | G | A | 0.0000 | |
| 384 | E | A | -4.0214 | |
| 385 | E | A | -4.2132 | |
| 386 | R | A | -3.8986 | |
| 387 | L | A | -2.7250 | |
| 388 | Q | A | -2.6742 | |
| 389 | E | A | -2.8984 | |
| 390 | S | A | 0.0000 | |
| 391 | V | A | 0.0000 | |
| 392 | I | A | 0.0000 | |
| 393 | V | A | 0.0000 | |
| 394 | E | A | -2.3272 | |
| 395 | I | A | 0.0000 | |
| 396 | S | A | -2.4672 | |
| 397 | K | A | -3.9287 | |
| 398 | K | A | -4.0148 | |
| 399 | Q | A | -3.3696 | |
| 400 | I | A | 0.0000 | |
| 401 | R | A | -4.4992 | |
| 402 | E | A | -4.2073 | |
| 403 | L | A | -2.5273 | |
| 404 | S | A | -2.7621 | |
| 405 | K | A | -3.2730 | |
| 406 | H | A | -2.8678 | |
| 407 | A | A | -1.9796 | |
| 408 | K | A | -1.9883 | |
| 409 | S | A | -1.2348 | |
| 410 | S | A | -1.4620 | |
| 411 | S | A | -1.8735 | |
| 412 | R | A | -3.2396 | |
| 413 | K | A | -2.7323 | |
| 414 | T | A | 0.0000 | |
| 415 | I | A | 0.0000 | |
| 416 | S | A | -1.8765 | |
| 417 | S | A | -1.9429 | |
| 418 | E | A | -3.0811 | |
| 419 | D | A | -2.6669 | |
| 420 | K | A | -2.1220 | |
| 421 | P | A | 0.0000 | |
| 422 | F | A | 0.0000 | |
| 423 | N | A | -1.3398 | |
| 424 | L | A | 0.0000 | |
| 425 | R | A | -2.0603 | |
| 426 | S | A | -2.5447 | |
| 427 | R | A | -3.2502 | |
| 428 | D | A | -2.7388 | |
| 429 | P | A | -1.2829 | |
| 430 | I | A | 0.1927 | |
| 431 | Y | A | -0.0007 | |
| 432 | S | A | -0.9499 | |
| 433 | N | A | -1.4390 | |
| 434 | K | A | -2.2023 | |
| 435 | L | A | -1.8163 | |
| 436 | G | A | -1.6596 | |
| 437 | K | A | -1.3947 | |
| 438 | L | A | 0.0000 | |
| 439 | F | A | 0.0000 | |
| 440 | E | A | -0.6604 | |
| 441 | I | A | 0.0000 | |
| 442 | T | A | -1.5750 | |
| 443 | P | A | 0.0000 | |
| 444 | E | A | -2.9558 | |
| 445 | K | A | -1.8378 | |
| 446 | N | A | 0.0000 | |
| 447 | P | A | -2.4634 | |
| 448 | Q | A | 0.0000 | |
| 449 | L | A | 0.0000 | |
| 450 | R | A | -3.5212 | |
| 451 | D | A | -2.8910 | |
| 452 | L | A | -1.6399 | |
| 453 | D | A | -2.2606 | |
| 454 | V | A | 0.0000 | |
| 455 | F | A | 0.0000 | |
| 456 | L | A | 0.0000 | |
| 457 | S | A | 0.0000 | |
| 458 | V | A | 0.0000 | |
| 459 | V | A | 0.0000 | |
| 460 | D | A | -1.3732 | |
| 461 | M | A | 0.0000 | |
| 462 | N | A | -3.0793 | |
| 463 | E | A | -3.3535 | |
| 464 | G | A | -1.9247 | |
| 465 | A | A | 0.0000 | |
| 466 | L | A | -0.4256 | |
| 467 | F | A | 0.0000 | |
| 468 | L | A | 0.0000 | |
| 469 | P | A | 0.1547 | |
| 470 | H | A | 0.0000 | |
| 471 | F | A | 0.1389 | |
| 472 | N | A | 0.0000 | |
| 473 | S | A | -1.0977 | |
| 474 | K | A | -1.3330 | |
| 475 | A | A | 0.0000 | |
| 476 | I | A | -0.2380 | |
| 477 | V | A | 0.0000 | |
| 478 | V | A | 0.0000 | |
| 479 | L | A | 0.0000 | |
| 480 | V | A | 0.0000 | |
| 481 | I | A | 0.0000 | |
| 482 | N | A | 0.0000 | |
| 483 | E | A | -2.4094 | |
| 484 | G | A | -2.6476 | |
| 485 | E | A | -3.0385 | |
| 486 | A | A | 0.0000 | |
| 487 | N | A | -1.9180 | |
| 488 | I | A | 0.0000 | |
| 489 | E | A | -2.2464 | |
| 490 | L | A | 0.0000 | |
| 491 | V | A | -0.5900 | |
| 492 | G | A | 0.0000 | |
| 493 | I | A | -0.4543 | |
| 494 | K | A | -2.6396 | |
| 495 | E | A | -3.4715 | |
| 496 | Q | A | -3.7885 | |
| 497 | Q | A | -3.6582 | |
| 498 | Q | A | -3.8380 | |
| 499 | R | A | -4.7314 | |
| 500 | Q | A | -3.6697 | |
| 501 | Q | A | -3.8308 | |
| 502 | Q | A | -3.8288 | |
| 503 | E | A | -4.3741 | |
| 504 | E | A | -3.7696 | |
| 505 | Q | A | -2.9634 | |
| 506 | P | A | -1.3383 | |
| 507 | L | A | -0.3561 | |
| 508 | E | A | -1.7317 | |
| 509 | V | A | -0.2108 | |
| 510 | R | A | -2.1007 | |
| 511 | K | A | -2.6540 | |
| 512 | Y | A | -2.2254 | |
| 513 | R | A | -3.0475 | |
| 514 | A | A | 0.0000 | |
| 515 | E | A | -2.8366 | |
| 516 | L | A | 0.0000 | |
| 517 | S | A | -1.9277 | |
| 518 | E | A | -1.8754 | |
| 519 | Q | A | -1.2495 | |
| 520 | D | A | 0.0000 | |
| 521 | I | A | 0.0000 | |
| 522 | F | A | 0.0000 | |
| 523 | V | A | 0.0000 | |
| 524 | I | A | 0.0000 | |
| 525 | P | A | 0.0000 | |
| 526 | A | A | -0.2529 | |
| 527 | G | A | -0.2218 | |
| 528 | Y | A | 0.3608 | |
| 529 | P | A | 0.0275 | |
| 530 | V | A | 0.0000 | |
| 531 | V | A | -0.3102 | |
| 532 | V | A | 0.0000 | |
| 533 | N | A | -1.1959 | |
| 534 | A | A | 0.0000 | |
| 535 | T | A | -1.9984 | |
| 536 | S | A | -2.6674 | |
| 537 | D | A | -3.6251 | |
| 538 | L | A | 0.0000 | |
| 539 | N | A | -1.6638 | |
| 540 | F | A | 0.0000 | |
| 541 | F | A | 0.0000 | |
| 542 | A | A | 0.0000 | |
| 543 | F | A | 0.0000 | |
| 544 | G | A | 0.0000 | |
| 545 | I | A | 0.0000 | |
| 546 | N | A | -1.3971 | |
| 547 | A | A | 0.0000 | |
| 548 | E | A | -2.6645 | |
| 549 | N | A | -2.6055 | |
| 550 | N | A | -2.0057 | |
| 551 | Q | A | -1.8996 | |
| 552 | R | A | -1.0386 | |
| 553 | N | A | 0.0000 | |
| 554 | F | A | 0.0000 | |
| 555 | L | A | 0.2118 | |
| 556 | A | A | -0.4078 | |
| 557 | G | A | 0.0000 | |
| 558 | S | A | -2.0054 | |
| 559 | K | A | -2.6318 | |
| 560 | D | A | -2.4216 | |
| 561 | N | A | 0.0000 | |
| 562 | V | A | -0.1885 | |
| 563 | I | A | 0.1061 | |
| 564 | S | A | -1.1753 | |
| 565 | Q | A | -0.9686 | |
| 566 | I | A | -0.0070 | |
| 567 | P | A | -0.4942 | |
| 568 | S | A | -1.2787 | |
| 569 | Q | A | -0.9257 | |
| 570 | V | A | 0.6203 | |
| 571 | Q | A | 0.0000 | |
| 572 | E | A | -1.2307 | |
| 573 | L | A | 0.9710 | |
| 574 | A | A | 0.7508 | |
| 575 | F | A | 0.6529 | |
| 576 | P | A | -0.2435 | |
| 577 | G | A | -1.2133 | |
| 578 | S | A | -2.0214 | |
| 579 | A | A | -2.2016 | |
| 580 | K | A | -3.3250 | |
| 581 | D | A | -3.1485 | |
| 582 | I | A | 0.0000 | |
| 583 | E | A | -3.2336 | |
| 584 | N | A | -2.5989 | |
| 585 | L | A | -0.6194 | |
| 586 | I | A | -1.1403 | |
| 587 | K | A | -2.4387 | |
| 588 | S | A | -1.2623 | |
| 589 | Q | A | -1.3772 | |
| 590 | S | A | -1.5363 | |
| 591 | E | A | -1.8694 | |
| 592 | S | A | -1.3611 | |
| 593 | Y | A | -0.6670 | |
| 594 | F | A | 0.0000 | |
| 595 | V | A | 0.0000 | |
| 596 | D | A | -1.7152 | |
| 597 | A | A | -1.3148 | |
| 598 | Q | A | -2.6370 | |
| 599 | P | A | -2.9125 | |
| 600 | Q | A | -3.8744 | |
| 601 | Q | A | -4.4162 | |
| 602 | K | A | -5.1199 | |
| 603 | E | A | -5.5431 | |
| 604 | E | A | -5.4354 | |
| 605 | G | A | -4.5186 | |
| 606 | N | A | -5.0222 | |
| 607 | K | A | -4.9253 | |
| 608 | G | A | -3.9913 | |
| 609 | R | A | -4.2765 | |
| 610 | K | A | -3.3443 | |
| 611 | G | A | -1.7123 | |
| 612 | P | A | -0.4566 | |
| 613 | L | A | 1.2632 | |
| 614 | S | A | 0.9999 | |
| 615 | S | A | 1.0239 | |
| 616 | I | A | 2.4478 | |
| 617 | L | A | 2.0453 | |
| 618 | R | A | 0.1175 | |
| 619 | A | A | 1.0811 | |
| 620 | F | A | 2.3877 | |
| 621 | Y | A | 2.0948 |
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 | -1.5899 | 4.4166 | View | CSV | PDB |
| 4.5 | -1.7068 | 4.4166 | View | CSV | PDB |
| 5.0 | -1.8617 | 4.4166 | View | CSV | PDB |
| 5.5 | -2.0236 | 4.4166 | View | CSV | PDB |
| 6.0 | -2.1586 | 4.4166 | View | CSV | PDB |
| 6.5 | -2.2404 | 4.4166 | View | CSV | PDB |
| 7.0 | -2.2603 | 4.4166 | View | CSV | PDB |
| 7.5 | -2.2324 | 4.4166 | View | CSV | PDB |
| 8.0 | -2.1778 | 4.4164 | View | CSV | PDB |
| 8.5 | -2.1091 | 4.4158 | View | CSV | PDB |
| 9.0 | -2.0302 | 4.4139 | 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