| Chain sequence(s) |
A: MCGVAGWVSFRQDLSHEENILAGMTNSMTCRGPDASGQWLSRHAALGHRRLSIIDLPGGTQPMTVDTPGGPVTMSYSGETYNFVELRDELRKRGHTFRTRSDTEVVLRGYLEWGAAIAERMVGMCAIAIWDSRYERLTLIRDRMGTKPMHYYRTKDGLLFGSEPKAILAHPDVKPVVDMEGMRQLFSFFTSSENAVWADMKVMTPGTVIEFDRNGLREHTYWQLSAEEHTDDLDTTVARVRQMVEDNVRHELVADVPLGLLLSGGLDSSALAGIASRHLTAKGERARTFSVDFPGQSENFQPHEMADSADAPYAKEMAAHIGSEHHDIVLDHRRLSDPDLRRSVVAAWDLPWGMGDINGSMYLLFKAVREHVTVALSGEAADEIFAGHVWHQSKAARYGGTFPWHTTWLKRVDCSAYLTGEFNAALDSETYTADRFQEATARVPYLDGEDEEQRMYRRSLHLGLNHFMRVLEDRVDRMAMAVGLETRVPFCDYRLAQYLYNVPWTMQTFDGREKSLLRASVTDVVTPSVVARRKSPYPSTQDTLYVGALQEQVKILLKEPSSPVFDLFDRSKLAEAAELSPQQIAGAPRAAFEKALDLAVWFEIRNPELRY
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] (00:00:01)
[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-Info: The input structure is globular. Max score is recommended for pH analysis. (00:00:02)
[INFO] FoldX: Starting FoldX energy minimization (00:00:03)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:08:26)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/89d16f69c68d462/tmp/folded.pdb (00:08:26)
[INFO] Main: Simulation completed successfully. (00:11:28)
|
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 |
|---|---|---|---|---|
| 1 | M | A | 0.0000 | |
| 2 | C | A | 0.0000 | |
| 3 | G | A | 0.0000 | |
| 4 | V | A | 0.0000 | |
| 5 | A | A | 0.0000 | |
| 6 | G | A | 0.0000 | |
| 7 | W | A | 0.0000 | |
| 8 | V | A | 0.0000 | |
| 9 | S | A | 0.0000 | |
| 10 | F | A | 0.0000 | |
| 11 | R | A | -3.1487 | |
| 12 | Q | A | -2.7286 | |
| 13 | D | A | -2.7295 | |
| 14 | L | A | 0.0000 | |
| 15 | S | A | -1.8263 | |
| 16 | H | A | -2.1936 | |
| 17 | E | A | -2.2494 | |
| 18 | E | A | -2.6348 | |
| 19 | N | A | -2.2076 | |
| 20 | I | A | -1.2537 | |
| 21 | L | A | 0.0000 | |
| 22 | A | A | -1.4711 | |
| 23 | G | A | -1.1166 | |
| 24 | M | A | 0.0000 | |
| 25 | T | A | 0.0000 | |
| 26 | N | A | -1.3928 | |
| 27 | S | A | -0.6937 | |
| 28 | M | A | 0.0000 | |
| 29 | T | A | -0.7507 | |
| 30 | C | A | -0.2265 | |
| 31 | R | A | 0.0000 | |
| 32 | G | A | 0.0000 | |
| 33 | P | A | -1.1850 | |
| 34 | D | A | -1.8399 | |
| 35 | A | A | -1.0618 | |
| 36 | S | A | -0.9624 | |
| 37 | G | A | -0.4538 | |
| 38 | Q | A | -0.8313 | |
| 39 | W | A | -0.2321 | |
| 40 | L | A | -0.8356 | |
| 41 | S | A | -1.1671 | |
| 42 | R | A | -2.8625 | |
| 43 | H | A | -1.9467 | |
| 44 | A | A | 0.0000 | |
| 45 | A | A | 0.0000 | |
| 46 | L | A | 0.0000 | |
| 47 | G | A | 0.0000 | |
| 48 | H | A | 0.0000 | |
| 49 | R | A | -0.9387 | |
| 50 | R | A | 0.0000 | |
| 51 | L | A | 0.0000 | |
| 52 | S | A | -0.3735 | |
| 53 | I | A | 0.0000 | |
| 54 | I | A | -0.1057 | |
| 55 | D | A | 0.0000 | |
| 56 | L | A | 0.1175 | |
| 57 | P | A | -0.1012 | |
| 58 | G | A | -0.6923 | |
| 59 | G | A | 0.0000 | |
| 60 | T | A | -0.0781 | |
| 61 | Q | A | 0.0000 | |
| 62 | P | A | -0.1968 | |
| 63 | M | A | 0.0000 | |
| 64 | T | A | -0.4685 | |
| 65 | V | A | 0.0000 | |
| 66 | D | A | -1.9870 | |
| 67 | T | A | -1.2690 | |
| 68 | P | A | -0.9902 | |
| 69 | G | A | -0.9596 | |
| 70 | G | A | -1.0120 | |
| 71 | P | A | -1.1578 | |
| 72 | V | A | 0.0000 | |
| 73 | T | A | 0.0000 | |
| 74 | M | A | 0.0000 | |
| 75 | S | A | 0.0000 | |
| 76 | Y | A | 0.0000 | |
| 77 | S | A | 0.0000 | |
| 78 | G | A | -0.0852 | |
| 79 | E | A | 0.0000 | |
| 80 | T | A | 0.0000 | |
| 81 | Y | A | 0.0939 | |
| 82 | N | A | -0.1925 | |
| 83 | F | A | -0.1995 | |
| 84 | V | A | 0.1481 | |
| 85 | E | A | -1.8954 | |
| 86 | L | A | 0.0000 | |
| 87 | R | A | -2.3027 | |
| 88 | D | A | -3.5663 | |
| 89 | E | A | -3.0669 | |
| 90 | L | A | 0.0000 | |
| 91 | R | A | -4.4008 | |
| 92 | K | A | -4.1080 | |
| 93 | R | A | -3.6986 | |
| 94 | G | A | -2.7685 | |
| 95 | H | A | -2.2302 | |
| 96 | T | A | -1.4502 | |
| 97 | F | A | -1.4160 | |
| 98 | R | A | -2.1177 | |
| 99 | T | A | -1.6742 | |
| 100 | R | A | -1.8083 | |
| 101 | S | A | 0.0000 | |
| 102 | D | A | 0.0000 | |
| 103 | T | A | 0.0000 | |
| 104 | E | A | 0.0000 | |
| 105 | V | A | 0.0000 | |
| 106 | V | A | 0.0000 | |
| 107 | L | A | 0.0000 | |
| 108 | R | A | -0.5823 | |
| 109 | G | A | 0.0000 | |
| 110 | Y | A | 0.0000 | |
| 111 | L | A | -0.1363 | |
| 112 | E | A | -0.8145 | |
| 113 | W | A | -0.3484 | |
| 114 | G | A | -0.1507 | |
| 115 | A | A | -0.3316 | |
| 116 | A | A | -0.5350 | |
| 117 | I | A | 0.0000 | |
| 118 | A | A | 0.0000 | |
| 119 | E | A | -1.4312 | |
| 120 | R | A | -1.3395 | |
| 121 | M | A | 0.0000 | |
| 122 | V | A | -0.3658 | |
| 123 | G | A | -0.1627 | |
| 124 | M | A | 0.0000 | |
| 125 | C | A | 0.0000 | |
| 126 | A | A | 0.0000 | |
| 127 | I | A | 0.0000 | |
| 128 | A | A | 0.0000 | |
| 129 | I | A | 0.0000 | |
| 130 | W | A | 0.0000 | |
| 131 | D | A | 0.0000 | |
| 132 | S | A | -0.7350 | |
| 133 | R | A | -0.4202 | |
| 134 | Y | A | 0.3419 | |
| 135 | E | A | -0.8526 | |
| 136 | R | A | -0.7988 | |
| 137 | L | A | 0.0000 | |
| 138 | T | A | 0.0000 | |
| 139 | L | A | 0.0000 | |
| 140 | I | A | 0.0000 | |
| 141 | R | A | 0.0000 | |
| 142 | D | A | 0.0000 | |
| 143 | R | A | 0.0000 | |
| 144 | M | A | 0.0000 | |
| 145 | G | A | -0.1390 | |
| 146 | T | A | 0.0000 | |
| 147 | K | A | 0.0000 | |
| 148 | P | A | 0.0000 | |
| 149 | M | A | 0.0000 | |
| 150 | H | A | 0.0000 | |
| 151 | Y | A | 0.0000 | |
| 152 | Y | A | -1.0043 | |
| 153 | R | A | -2.1771 | |
| 154 | T | A | -2.2309 | |
| 155 | K | A | -2.8569 | |
| 156 | D | A | -2.7917 | |
| 157 | G | A | 0.0000 | |
| 158 | L | A | 0.0000 | |
| 159 | L | A | 0.0000 | |
| 160 | F | A | 0.0000 | |
| 161 | G | A | 0.0000 | |
| 162 | S | A | 0.0000 | |
| 163 | E | A | 0.0000 | |
| 164 | P | A | 0.0000 | |
| 165 | K | A | 0.0000 | |
| 166 | A | A | 0.0000 | |
| 167 | I | A | 0.0000 | |
| 168 | L | A | -0.5855 | |
| 169 | A | A | -0.6047 | |
| 170 | H | A | 0.0000 | |
| 171 | P | A | -1.3589 | |
| 172 | D | A | -2.4709 | |
| 173 | V | A | 0.0000 | |
| 174 | K | A | -2.5838 | |
| 175 | P | A | -1.2901 | |
| 176 | V | A | 0.0000 | |
| 177 | V | A | 0.0000 | |
| 178 | D | A | -1.2811 | |
| 179 | M | A | -0.4717 | |
| 180 | E | A | -0.6479 | |
| 181 | G | A | 0.0000 | |
| 182 | M | A | 0.0000 | |
| 183 | R | A | -0.7583 | |
| 184 | Q | A | 0.0000 | |
| 185 | L | A | 0.0000 | |
| 186 | F | A | -0.1252 | |
| 187 | S | A | 0.0000 | |
| 188 | F | A | 0.0000 | |
| 189 | F | A | 0.0000 | |
| 190 | T | A | -0.4788 | |
| 191 | S | A | 0.0000 | |
| 192 | S | A | -1.1024 | |
| 193 | E | A | -2.0348 | |
| 194 | N | A | -1.6194 | |
| 195 | A | A | 0.0000 | |
| 196 | V | A | 0.0000 | |
| 197 | W | A | 0.0000 | |
| 198 | A | A | -1.6651 | |
| 199 | D | A | -2.4187 | |
| 200 | M | A | 0.0000 | |
| 201 | K | A | -1.6744 | |
| 202 | V | A | -0.7488 | |
| 203 | M | A | 0.0000 | |
| 204 | T | A | -0.9568 | |
| 205 | P | A | 0.0000 | |
| 206 | G | A | 0.0000 | |
| 207 | T | A | 0.0000 | |
| 208 | V | A | 0.0000 | |
| 209 | I | A | 0.0000 | |
| 210 | E | A | -1.6699 | |
| 211 | F | A | 0.0000 | |
| 212 | D | A | -1.8450 | |
| 213 | R | A | -2.4829 | |
| 214 | N | A | -2.4330 | |
| 215 | G | A | -1.7717 | |
| 216 | L | A | -1.8646 | |
| 217 | R | A | -2.9862 | |
| 218 | E | A | -3.1151 | |
| 219 | H | A | -2.2660 | |
| 220 | T | A | -1.0733 | |
| 221 | Y | A | -0.7705 | |
| 222 | W | A | -0.6816 | |
| 223 | Q | A | -1.1138 | |
| 224 | L | A | 0.0000 | |
| 225 | S | A | -0.8708 | |
| 226 | A | A | -1.3098 | |
| 227 | E | A | -2.5314 | |
| 228 | E | A | -2.7778 | |
| 229 | H | A | -1.7178 | |
| 230 | T | A | -1.2717 | |
| 231 | D | A | -1.7128 | |
| 232 | D | A | -2.1746 | |
| 233 | L | A | -1.2328 | |
| 234 | D | A | -2.2395 | |
| 235 | T | A | -1.7596 | |
| 236 | T | A | 0.0000 | |
| 237 | V | A | -1.2383 | |
| 238 | A | A | -1.3489 | |
| 239 | R | A | -2.1545 | |
| 240 | V | A | 0.0000 | |
| 241 | R | A | -1.4830 | |
| 242 | Q | A | -2.0927 | |
| 243 | M | A | -1.6139 | |
| 244 | V | A | 0.0000 | |
| 245 | E | A | -1.9980 | |
| 246 | D | A | -1.9311 | |
| 247 | N | A | 0.0000 | |
| 248 | V | A | 0.0000 | |
| 249 | R | A | -2.3191 | |
| 250 | H | A | -1.0809 | |
| 251 | E | A | 0.0000 | |
| 252 | L | A | 0.0000 | |
| 253 | V | A | 0.5335 | |
| 254 | A | A | 0.0828 | |
| 255 | D | A | -0.6417 | |
| 256 | V | A | -0.0572 | |
| 257 | P | A | -0.3652 | |
| 258 | L | A | -0.0375 | |
| 259 | G | A | 0.0000 | |
| 260 | L | A | 0.0000 | |
| 261 | L | A | -0.0184 | |
| 262 | L | A | 0.0000 | |
| 263 | S | A | -0.2808 | |
| 264 | G | A | 0.0000 | |
| 265 | G | A | -0.4879 | |
| 266 | L | A | 0.0000 | |
| 267 | D | A | -0.4171 | |
| 268 | S | A | 0.0000 | |
| 269 | S | A | 0.0000 | |
| 270 | A | A | 0.0000 | |
| 271 | L | A | 0.0000 | |
| 272 | A | A | 0.0000 | |
| 273 | G | A | 0.0000 | |
| 274 | I | A | 0.0000 | |
| 275 | A | A | 0.0000 | |
| 276 | S | A | 0.0000 | |
| 277 | R | A | -2.7476 | |
| 278 | H | A | -2.3787 | |
| 279 | L | A | 0.0000 | |
| 280 | T | A | -2.6018 | |
| 281 | A | A | -2.0271 | |
| 282 | K | A | -3.0234 | |
| 283 | G | A | -2.7812 | |
| 284 | E | A | -3.7965 | |
| 285 | R | A | -3.6965 | |
| 286 | A | A | 0.0000 | |
| 287 | R | A | -1.8402 | |
| 288 | T | A | 0.0000 | |
| 289 | F | A | 0.0000 | |
| 290 | S | A | 0.0000 | |
| 291 | V | A | 0.0000 | |
| 292 | D | A | -0.0867 | |
| 293 | F | A | 0.0000 | |
| 294 | P | A | -0.9150 | |
| 295 | G | A | -1.4340 | |
| 296 | Q | A | -1.5538 | |
| 297 | S | A | -1.6728 | |
| 298 | E | A | -2.6748 | |
| 299 | N | A | -2.6112 | |
| 300 | F | A | -2.0200 | |
| 301 | Q | A | -2.3463 | |
| 302 | P | A | -2.4039 | |
| 303 | H | A | -2.6561 | |
| 304 | E | A | -2.5127 | |
| 305 | M | A | -1.5353 | |
| 306 | A | A | -2.2389 | |
| 307 | D | A | -3.0689 | |
| 308 | S | A | -1.5883 | |
| 309 | A | A | 0.0000 | |
| 310 | D | A | -0.5986 | |
| 311 | A | A | 0.0000 | |
| 312 | P | A | -0.9923 | |
| 313 | Y | A | -0.8908 | |
| 314 | A | A | 0.0000 | |
| 315 | K | A | -2.3471 | |
| 316 | E | A | -2.2983 | |
| 317 | M | A | 0.0000 | |
| 318 | A | A | 0.0000 | |
| 319 | A | A | -1.4301 | |
| 320 | H | A | -1.4885 | |
| 321 | I | A | -1.1565 | |
| 322 | G | A | -1.2482 | |
| 323 | S | A | 0.0000 | |
| 324 | E | A | -1.8452 | |
| 325 | H | A | -1.4074 | |
| 326 | H | A | -0.9590 | |
| 327 | D | A | -0.6367 | |
| 328 | I | A | 0.3571 | |
| 329 | V | A | 0.9419 | |
| 330 | L | A | 0.0000 | |
| 331 | D | A | -1.8191 | |
| 332 | H | A | -2.0390 | |
| 333 | R | A | -3.1550 | |
| 334 | R | A | -3.6173 | |
| 335 | L | A | 0.0000 | |
| 336 | S | A | 0.0000 | |
| 337 | D | A | -3.0729 | |
| 338 | P | A | -2.4334 | |
| 339 | D | A | -2.9942 | |
| 340 | L | A | 0.0000 | |
| 341 | R | A | -1.7224 | |
| 342 | R | A | -2.3711 | |
| 343 | S | A | -1.3242 | |
| 344 | V | A | 0.0000 | |
| 345 | V | A | 0.0000 | |
| 346 | A | A | -0.3036 | |
| 347 | A | A | 0.0000 | |
| 348 | W | A | 0.0000 | |
| 349 | D | A | 0.0000 | |
| 350 | L | A | 0.0000 | |
| 351 | P | A | 0.0000 | |
| 352 | W | A | 0.0000 | |
| 353 | G | A | 0.0000 | |
| 354 | M | A | 0.0000 | |
| 355 | G | A | -0.1474 | |
| 356 | D | A | 0.0000 | |
| 357 | I | A | 0.0000 | |
| 358 | N | A | 0.0000 | |
| 359 | G | A | 0.0000 | |
| 360 | S | A | 0.0000 | |
| 361 | M | A | 0.0000 | |
| 362 | Y | A | 0.0000 | |
| 363 | L | A | -0.2558 | |
| 364 | L | A | 0.0000 | |
| 365 | F | A | 0.0000 | |
| 366 | K | A | -1.4207 | |
| 367 | A | A | -1.2508 | |
| 368 | V | A | 0.0000 | |
| 369 | R | A | -1.7648 | |
| 370 | E | A | -2.4208 | |
| 371 | H | A | -1.6001 | |
| 372 | V | A | 0.0000 | |
| 373 | T | A | 0.0000 | |
| 374 | V | A | 0.0000 | |
| 375 | A | A | 0.0000 | |
| 376 | L | A | 0.0000 | |
| 377 | S | A | 0.0000 | |
| 378 | G | A | -0.2716 | |
| 379 | E | A | -0.3173 | |
| 380 | A | A | 0.0000 | |
| 381 | A | A | 0.0000 | |
| 382 | D | A | 0.0000 | |
| 383 | E | A | 0.0000 | |
| 384 | I | A | 0.0000 | |
| 385 | F | A | 0.0000 | |
| 386 | A | A | 0.0000 | |
| 387 | G | A | 0.0000 | |
| 388 | H | A | 0.0000 | |
| 389 | V | A | 0.2613 | |
| 390 | W | A | 0.0000 | |
| 391 | H | A | 0.0000 | |
| 392 | Q | A | -1.1923 | |
| 393 | S | A | -1.0653 | |
| 394 | K | A | -1.9528 | |
| 395 | A | A | -0.8694 | |
| 396 | A | A | 0.0000 | |
| 397 | R | A | 0.0000 | |
| 398 | Y | A | -0.6962 | |
| 399 | G | A | -0.4096 | |
| 400 | G | A | -0.5990 | |
| 401 | T | A | -0.8541 | |
| 402 | F | A | 0.0000 | |
| 403 | P | A | 0.0000 | |
| 404 | W | A | 0.0000 | |
| 405 | H | A | 0.0000 | |
| 406 | T | A | -0.2054 | |
| 407 | T | A | -0.6193 | |
| 408 | W | A | -0.5797 | |
| 409 | L | A | -1.0254 | |
| 410 | K | A | -2.3016 | |
| 411 | R | A | -2.0516 | |
| 412 | V | A | 0.0000 | |
| 413 | D | A | -1.5302 | |
| 414 | C | A | 0.0000 | |
| 415 | S | A | -0.3870 | |
| 416 | A | A | -0.4131 | |
| 417 | Y | A | -0.7394 | |
| 418 | L | A | 0.0000 | |
| 419 | T | A | -1.7622 | |
| 420 | G | A | -1.5787 | |
| 421 | E | A | -2.4614 | |
| 422 | F | A | 0.0000 | |
| 423 | N | A | -1.4824 | |
| 424 | A | A | -1.2764 | |
| 425 | A | A | -0.8052 | |
| 426 | L | A | 0.0000 | |
| 427 | D | A | -1.7661 | |
| 428 | S | A | -1.8127 | |
| 429 | E | A | -2.4410 | |
| 430 | T | A | -1.7779 | |
| 431 | Y | A | 0.0000 | |
| 432 | T | A | 0.0000 | |
| 433 | A | A | -2.0083 | |
| 434 | D | A | -2.9046 | |
| 435 | R | A | -1.9666 | |
| 436 | F | A | 0.0000 | |
| 437 | Q | A | -2.7037 | |
| 438 | E | A | -2.5666 | |
| 439 | A | A | 0.0000 | |
| 440 | T | A | -1.6583 | |
| 441 | A | A | -1.5526 | |
| 442 | R | A | -2.1973 | |
| 443 | V | A | 0.0000 | |
| 444 | P | A | -0.9270 | |
| 445 | Y | A | -0.7786 | |
| 446 | L | A | -1.6193 | |
| 447 | D | A | -2.4242 | |
| 448 | G | A | -2.0895 | |
| 449 | E | A | -2.5706 | |
| 450 | D | A | -3.6547 | |
| 451 | E | A | -3.5567 | |
| 452 | E | A | -2.9778 | |
| 453 | Q | A | -2.1590 | |
| 454 | R | A | -2.2969 | |
| 455 | M | A | -1.6403 | |
| 456 | Y | A | 0.0000 | |
| 457 | R | A | 0.0000 | |
| 458 | R | A | -0.6392 | |
| 459 | S | A | 0.0000 | |
| 460 | L | A | 0.0000 | |
| 461 | H | A | 0.0000 | |
| 462 | L | A | 0.0000 | |
| 463 | G | A | 0.0000 | |
| 464 | L | A | 0.0000 | |
| 465 | N | A | -0.3347 | |
| 466 | H | A | 0.0000 | |
| 467 | F | A | 0.0000 | |
| 468 | M | A | 0.0000 | |
| 469 | R | A | -0.3579 | |
| 470 | V | A | 0.0000 | |
| 471 | L | A | -0.0627 | |
| 472 | E | A | 0.0000 | |
| 473 | D | A | -0.3953 | |
| 474 | R | A | 0.0000 | |
| 475 | V | A | 0.0000 | |
| 476 | D | A | 0.0000 | |
| 477 | R | A | 0.0000 | |
| 478 | M | A | 0.0000 | |
| 479 | A | A | 0.0000 | |
| 480 | M | A | 0.0000 | |
| 481 | A | A | 0.0261 | |
| 482 | V | A | -0.3239 | |
| 483 | G | A | 0.0000 | |
| 484 | L | A | 0.0000 | |
| 485 | E | A | 0.0000 | |
| 486 | T | A | 0.0000 | |
| 487 | R | A | 0.0000 | |
| 488 | V | A | 0.0000 | |
| 489 | P | A | 0.0000 | |
| 490 | F | A | 0.0000 | |
| 491 | C | A | 0.0000 | |
| 492 | D | A | -0.3427 | |
| 493 | Y | A | -0.4319 | |
| 494 | R | A | -0.7434 | |
| 495 | L | A | 0.0000 | |
| 496 | A | A | 0.0000 | |
| 497 | Q | A | -0.7038 | |
| 498 | Y | A | -0.6605 | |
| 499 | L | A | 0.0000 | |
| 500 | Y | A | 0.0000 | |
| 501 | N | A | 0.0000 | |
| 502 | V | A | 0.0000 | |
| 503 | P | A | -0.3755 | |
| 504 | W | A | 0.0000 | |
| 505 | T | A | 0.0712 | |
| 506 | M | A | 0.0669 | |
| 507 | Q | A | 0.0000 | |
| 508 | T | A | -0.0692 | |
| 509 | F | A | 0.5704 | |
| 510 | D | A | -0.5732 | |
| 511 | G | A | -0.7033 | |
| 512 | R | A | -0.9511 | |
| 513 | E | A | 0.0000 | |
| 514 | K | A | 0.0000 | |
| 515 | S | A | 0.0000 | |
| 516 | L | A | 0.0000 | |
| 517 | L | A | 0.0000 | |
| 518 | R | A | -0.6812 | |
| 519 | A | A | -0.5754 | |
| 520 | S | A | 0.0000 | |
| 521 | V | A | 0.0000 | |
| 522 | T | A | -1.0338 | |
| 523 | D | A | -1.8943 | |
| 524 | V | A | 0.0000 | |
| 525 | V | A | 0.0000 | |
| 526 | T | A | 0.0000 | |
| 527 | P | A | -0.4371 | |
| 528 | S | A | -0.5008 | |
| 529 | V | A | 0.0000 | |
| 530 | V | A | -0.2910 | |
| 531 | A | A | -0.4631 | |
| 532 | R | A | 0.0000 | |
| 533 | R | A | -2.3528 | |
| 534 | K | A | -1.4032 | |
| 535 | S | A | -1.2123 | |
| 536 | P | A | -0.0311 | |
| 537 | Y | A | 0.1257 | |
| 538 | P | A | -0.0895 | |
| 539 | S | A | -0.2492 | |
| 540 | T | A | 0.0000 | |
| 541 | Q | A | -1.1446 | |
| 542 | D | A | -0.9156 | |
| 543 | T | A | -0.2122 | |
| 544 | L | A | 0.6332 | |
| 545 | Y | A | 0.0000 | |
| 546 | V | A | 0.0000 | |
| 547 | G | A | -0.2948 | |
| 548 | A | A | -0.9097 | |
| 549 | L | A | 0.0000 | |
| 550 | Q | A | -1.1870 | |
| 551 | E | A | -1.9904 | |
| 552 | Q | A | -0.8437 | |
| 553 | V | A | 0.0000 | |
| 554 | K | A | -1.4692 | |
| 555 | I | A | -0.0937 | |
| 556 | L | A | 0.0000 | |
| 557 | L | A | -1.5152 | |
| 558 | K | A | -2.2428 | |
| 559 | E | A | -2.5417 | |
| 560 | P | A | -2.0018 | |
| 561 | S | A | -1.3571 | |
| 562 | S | A | -1.4653 | |
| 563 | P | A | -1.2792 | |
| 564 | V | A | 0.0000 | |
| 565 | F | A | -1.4488 | |
| 566 | D | A | -2.2441 | |
| 567 | L | A | 0.0000 | |
| 568 | F | A | 0.0000 | |
| 569 | D | A | -1.8846 | |
| 570 | R | A | -2.1517 | |
| 571 | S | A | -1.8304 | |
| 572 | K | A | -2.2914 | |
| 573 | L | A | 0.0000 | |
| 574 | A | A | -2.1404 | |
| 575 | E | A | -2.8897 | |
| 576 | A | A | 0.0000 | |
| 577 | A | A | 0.0000 | |
| 578 | E | A | -2.6039 | |
| 579 | L | A | -1.3409 | |
| 580 | S | A | -1.1257 | |
| 581 | P | A | -1.0629 | |
| 582 | Q | A | -1.7051 | |
| 583 | Q | A | -1.9481 | |
| 584 | I | A | 0.0000 | |
| 585 | A | A | -0.9804 | |
| 586 | G | A | -1.3107 | |
| 587 | A | A | -0.9619 | |
| 588 | P | A | -0.9181 | |
| 589 | R | A | -0.8933 | |
| 590 | A | A | 0.0000 | |
| 591 | A | A | 0.0000 | |
| 592 | F | A | 0.0000 | |
| 593 | E | A | 0.0000 | |
| 594 | K | A | 0.0000 | |
| 595 | A | A | 0.0000 | |
| 596 | L | A | 0.0000 | |
| 597 | D | A | 0.0000 | |
| 598 | L | A | 0.0000 | |
| 599 | A | A | -0.5583 | |
| 600 | V | A | -1.0976 | |
| 601 | W | A | 0.0000 | |
| 602 | F | A | 0.0000 | |
| 603 | E | A | -2.0968 | |
| 604 | I | A | -0.9011 | |
| 605 | R | A | -1.1915 | |
| 606 | N | A | -2.1142 | |
| 607 | P | A | -1.7092 | |
| 608 | E | A | -1.5841 | |
| 609 | L | A | -0.9039 | |
| 610 | R | A | -1.4769 | |
| 611 | Y | A | 0.2112 |
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 | -0.6309 | 2.1431 | View | CSV | PDB |
| 4.5 | -0.6988 | 2.0574 | View | CSV | PDB |
| 5.0 | -0.7812 | 1.9712 | View | CSV | PDB |
| 5.5 | -0.8664 | 1.8854 | View | CSV | PDB |
| 6.0 | -0.9432 | 1.8291 | View | CSV | PDB |
| 6.5 | -1.0037 | 1.8291 | View | CSV | PDB |
| 7.0 | -1.0459 | 1.8291 | View | CSV | PDB |
| 7.5 | -1.0738 | 1.8291 | View | CSV | PDB |
| 8.0 | -1.0917 | 1.8291 | View | CSV | PDB |
| 8.5 | -1.1002 | 1.8291 | View | CSV | PDB |
| 9.0 | -1.0985 | 1.8291 | 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