| Chain sequence(s) |
A: MASHIVGYPRMGPKRELKFALESFWDGKSTAEDLQKVSADLRSSIWKQMSAAGTKFIPSNTFAHYDQVLDTTAMLGAVPPRYGYTGGEIGLDVYFSMARGNASVPAMEMTKWFDTNYHYIVPELGPEVNFSYASHKAVNEYKEAKALGVDTVPVLVGPVSYLLLSKAAKGVDKSFELLSLLPKILPIYKEVITELKAAGATWIQLDEPVLVMDLEGQKLQAFTGAYAELESTLSGLNVLVETYFADIPAEAYKTLTSLKGVTAFGFDLVRGTKTLDLVKAGFPEGKYLFAGVVDGRNIWANDFAASLSTLQALEGIVGKDKLVVSTSCSLLHTAVDLINETKLDDEIKSWLAFAAQKVVEVNALAKALAGQKDEALFSANAAALASRRSSPRVTNEGVQKAAAALKGSDHRRATNVSARLDAQQKKLNLPILPTTTIGSFPQTVELRRVRREYKAKKVSEEDYVKAIKEEIKKVVDLQEELDIDVLVHGEPERNDMVEYFGEQLSGFAFTANGWVQSYGSRCVKPPVIYGDVSRPKAMTVFWSAMAQSMTSRPMKGMLTGPVTILNWSFVRNDQPRHETCYQIALAIKDEVEDLEKGGIGVIQIDEAALREGLPLRKSEHAFYLDWAVHSFRITNCGVQDSTQIHTHMCYSHFNDIIHSIIDMDADVITIENSRSDEKLLSVFREGVKYGAGIGPGVYDIHSPRIPSSEEIADRVNKMLAVLEQNILWVNPDCGLKTRKYTEVKPALKNMVDAAKLIRSQLASAK
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. (00:00:04)
[INFO] FoldX: Starting FoldX energy minimization (00:00:04)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:12:00)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/4b861b8f1401d7b/tmp/folded.pdb (00:12:00)
[INFO] Main: Simulation completed successfully. (00:16:45)
|
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 | -1.3298 | |
| 2 | A | A | -1.1707 | |
| 3 | S | A | 0.0000 | |
| 4 | H | A | 0.0000 | |
| 5 | I | A | 0.0000 | |
| 6 | V | A | 0.0000 | |
| 7 | G | A | 0.0000 | |
| 8 | Y | A | 0.0000 | |
| 9 | P | A | 0.0000 | |
| 10 | R | A | 0.0000 | |
| 11 | M | A | 0.0000 | |
| 12 | G | A | 0.0000 | |
| 13 | P | A | -0.7741 | |
| 14 | K | A | -1.6328 | |
| 15 | R | A | -1.1643 | |
| 16 | E | A | -0.6964 | |
| 17 | L | A | 0.0000 | |
| 18 | K | A | -0.5258 | |
| 19 | F | A | 0.8514 | |
| 20 | A | A | -0.5075 | |
| 21 | L | A | 0.0000 | |
| 22 | E | A | -0.8696 | |
| 23 | S | A | -1.2579 | |
| 24 | F | A | -1.2261 | |
| 25 | W | A | -1.2415 | |
| 26 | D | A | -2.5495 | |
| 27 | G | A | -2.0765 | |
| 28 | K | A | -2.6245 | |
| 29 | S | A | -1.8954 | |
| 30 | T | A | -1.7549 | |
| 31 | A | A | -1.9686 | |
| 32 | E | A | -3.2138 | |
| 33 | D | A | -3.1112 | |
| 34 | L | A | 0.0000 | |
| 35 | Q | A | -3.0563 | |
| 36 | K | A | -3.2719 | |
| 37 | V | A | -1.6066 | |
| 38 | S | A | 0.0000 | |
| 39 | A | A | -1.4609 | |
| 40 | D | A | -1.7485 | |
| 41 | L | A | 0.0000 | |
| 42 | R | A | -0.7689 | |
| 43 | S | A | -0.8109 | |
| 44 | S | A | -0.9302 | |
| 45 | I | A | -0.6009 | |
| 46 | W | A | 0.0000 | |
| 47 | K | A | -1.2492 | |
| 48 | Q | A | -0.8784 | |
| 49 | M | A | 0.0000 | |
| 50 | S | A | -1.3085 | |
| 51 | A | A | -0.4128 | |
| 52 | A | A | -0.3665 | |
| 53 | G | A | -1.0354 | |
| 54 | T | A | 0.0000 | |
| 55 | K | A | -2.0494 | |
| 56 | F | A | 0.0000 | |
| 57 | I | A | 0.0000 | |
| 58 | P | A | 0.0000 | |
| 59 | S | A | 0.0000 | |
| 60 | N | A | -0.4583 | |
| 61 | T | A | -0.1523 | |
| 62 | F | A | 0.0000 | |
| 63 | A | A | 0.0000 | |
| 64 | H | A | -0.2846 | |
| 65 | Y | A | 0.0000 | |
| 66 | D | A | 0.0000 | |
| 67 | Q | A | -0.2468 | |
| 68 | V | A | 0.0000 | |
| 69 | L | A | 0.0000 | |
| 70 | D | A | 0.0000 | |
| 71 | T | A | 0.0000 | |
| 72 | T | A | 0.0000 | |
| 73 | A | A | 0.0000 | |
| 74 | M | A | 0.0000 | |
| 75 | L | A | 0.0000 | |
| 76 | G | A | 0.0000 | |
| 77 | A | A | 0.0000 | |
| 78 | V | A | -0.0903 | |
| 79 | P | A | 0.0000 | |
| 80 | P | A | -0.7393 | |
| 81 | R | A | -0.7618 | |
| 82 | Y | A | -0.6437 | |
| 83 | G | A | -0.5135 | |
| 84 | Y | A | -0.1511 | |
| 85 | T | A | -0.3425 | |
| 86 | G | A | -1.1544 | |
| 87 | G | A | -1.5187 | |
| 88 | E | A | -2.1413 | |
| 89 | I | A | -1.1985 | |
| 90 | G | A | -1.0886 | |
| 91 | L | A | -0.9731 | |
| 92 | D | A | -1.7248 | |
| 93 | V | A | -0.8465 | |
| 94 | Y | A | 0.0000 | |
| 95 | F | A | 0.0000 | |
| 96 | S | A | -1.2775 | |
| 97 | M | A | 0.0000 | |
| 98 | A | A | 0.0000 | |
| 99 | R | A | -1.8770 | |
| 100 | G | A | -1.3785 | |
| 101 | N | A | -1.8153 | |
| 102 | A | A | -0.6452 | |
| 103 | S | A | -0.5727 | |
| 104 | V | A | -0.7171 | |
| 105 | P | A | -1.0195 | |
| 106 | A | A | -1.1971 | |
| 107 | M | A | 0.0000 | |
| 108 | E | A | -1.5026 | |
| 109 | M | A | -0.5486 | |
| 110 | T | A | -0.4116 | |
| 111 | K | A | -0.5064 | |
| 112 | W | A | 0.0000 | |
| 113 | F | A | -0.0625 | |
| 114 | D | A | -0.4138 | |
| 115 | T | A | 0.0000 | |
| 116 | N | A | -0.5329 | |
| 117 | Y | A | 0.0000 | |
| 118 | H | A | -0.3605 | |
| 119 | Y | A | 0.0000 | |
| 120 | I | A | 0.0000 | |
| 121 | V | A | 0.0000 | |
| 122 | P | A | 0.0000 | |
| 123 | E | A | -0.9427 | |
| 124 | L | A | 0.0000 | |
| 125 | G | A | 0.0000 | |
| 126 | P | A | -1.6188 | |
| 127 | E | A | -2.1238 | |
| 128 | V | A | -1.4562 | |
| 129 | N | A | -1.7936 | |
| 130 | F | A | -0.8915 | |
| 131 | S | A | -0.9093 | |
| 132 | Y | A | -0.6218 | |
| 133 | A | A | 0.0000 | |
| 134 | S | A | 0.0000 | |
| 135 | H | A | -1.1327 | |
| 136 | K | A | -1.2772 | |
| 137 | A | A | 0.0000 | |
| 138 | V | A | 0.0000 | |
| 139 | N | A | -2.2920 | |
| 140 | E | A | 0.0000 | |
| 141 | Y | A | 0.0000 | |
| 142 | K | A | -2.7845 | |
| 143 | E | A | -2.0386 | |
| 144 | A | A | 0.0000 | |
| 145 | K | A | -2.7558 | |
| 146 | A | A | -1.2555 | |
| 147 | L | A | -0.8002 | |
| 148 | G | A | -1.4316 | |
| 149 | V | A | 0.0000 | |
| 150 | D | A | -2.7871 | |
| 151 | T | A | 0.0000 | |
| 152 | V | A | 0.0000 | |
| 153 | P | A | 0.0000 | |
| 154 | V | A | 0.0000 | |
| 155 | L | A | 0.0000 | |
| 156 | V | A | 0.0000 | |
| 157 | G | A | 0.0000 | |
| 158 | P | A | 0.0000 | |
| 159 | V | A | 0.0000 | |
| 160 | S | A | 0.0000 | |
| 161 | Y | A | 0.0000 | |
| 162 | L | A | 0.0000 | |
| 163 | L | A | -0.0101 | |
| 164 | L | A | 0.0000 | |
| 165 | S | A | -0.4039 | |
| 166 | K | A | -1.4591 | |
| 167 | A | A | -1.6112 | |
| 168 | A | A | -1.6194 | |
| 169 | K | A | -2.2355 | |
| 170 | G | A | -1.8135 | |
| 171 | V | A | -2.0848 | |
| 172 | D | A | -2.9878 | |
| 173 | K | A | -2.7761 | |
| 174 | S | A | -1.7350 | |
| 175 | F | A | -1.5073 | |
| 176 | E | A | -1.7806 | |
| 177 | L | A | -0.5696 | |
| 178 | L | A | -0.3827 | |
| 179 | S | A | -0.6491 | |
| 180 | L | A | 0.0000 | |
| 181 | L | A | 0.0000 | |
| 182 | P | A | -1.0124 | |
| 183 | K | A | -1.3632 | |
| 184 | I | A | 0.0000 | |
| 185 | L | A | 0.0000 | |
| 186 | P | A | -1.2303 | |
| 187 | I | A | 0.0000 | |
| 188 | Y | A | 0.0000 | |
| 189 | K | A | -1.7502 | |
| 190 | E | A | -2.1821 | |
| 191 | V | A | 0.0000 | |
| 192 | I | A | 0.0000 | |
| 193 | T | A | -1.2835 | |
| 194 | E | A | -1.5219 | |
| 195 | L | A | 0.0000 | |
| 196 | K | A | -0.9159 | |
| 197 | A | A | -0.5571 | |
| 198 | A | A | 0.0000 | |
| 199 | G | A | -1.1951 | |
| 200 | A | A | 0.0000 | |
| 201 | T | A | -0.5914 | |
| 202 | W | A | -0.3831 | |
| 203 | I | A | 0.0000 | |
| 204 | Q | A | 0.0000 | |
| 205 | L | A | 0.0000 | |
| 206 | D | A | 0.0000 | |
| 207 | E | A | 0.0000 | |
| 208 | P | A | 0.0000 | |
| 209 | V | A | 0.0000 | |
| 210 | L | A | 0.0000 | |
| 211 | V | A | 0.0000 | |
| 212 | M | A | -0.6772 | |
| 213 | D | A | -1.8626 | |
| 214 | L | A | -1.6099 | |
| 215 | E | A | -2.4354 | |
| 216 | G | A | -2.4421 | |
| 217 | Q | A | -2.3700 | |
| 218 | K | A | -1.8989 | |
| 219 | L | A | 0.0000 | |
| 220 | Q | A | -2.1031 | |
| 221 | A | A | -1.1519 | |
| 222 | F | A | 0.0000 | |
| 223 | T | A | -1.1096 | |
| 224 | G | A | -1.2141 | |
| 225 | A | A | 0.0000 | |
| 226 | Y | A | 0.0000 | |
| 227 | A | A | -1.7821 | |
| 228 | E | A | -2.5535 | |
| 229 | L | A | 0.0000 | |
| 230 | E | A | -2.3846 | |
| 231 | S | A | -1.4966 | |
| 232 | T | A | -1.3717 | |
| 233 | L | A | 0.0000 | |
| 234 | S | A | -1.0765 | |
| 235 | G | A | -0.8803 | |
| 236 | L | A | 0.0000 | |
| 237 | N | A | -0.4462 | |
| 238 | V | A | 0.0000 | |
| 239 | L | A | 0.0000 | |
| 240 | V | A | 0.0000 | |
| 241 | E | A | 0.0000 | |
| 242 | T | A | 0.0000 | |
| 243 | Y | A | 0.0000 | |
| 244 | F | A | 0.0000 | |
| 245 | A | A | -0.7419 | |
| 246 | D | A | -1.0266 | |
| 247 | I | A | 0.0000 | |
| 248 | P | A | -1.2445 | |
| 249 | A | A | -1.4281 | |
| 250 | E | A | -2.7013 | |
| 251 | A | A | 0.0000 | |
| 252 | Y | A | 0.0000 | |
| 253 | K | A | -2.3743 | |
| 254 | T | A | -1.6359 | |
| 255 | L | A | 0.0000 | |
| 256 | T | A | -0.8491 | |
| 257 | S | A | -0.9005 | |
| 258 | L | A | 0.0000 | |
| 259 | K | A | -1.8112 | |
| 260 | G | A | -1.5147 | |
| 261 | V | A | 0.0000 | |
| 262 | T | A | -0.6392 | |
| 263 | A | A | 0.0000 | |
| 264 | F | A | 0.0000 | |
| 265 | G | A | 0.0000 | |
| 266 | F | A | 0.0000 | |
| 267 | D | A | 0.0000 | |
| 268 | L | A | 0.0000 | |
| 269 | V | A | -0.1732 | |
| 270 | R | A | -1.2482 | |
| 271 | G | A | 0.0000 | |
| 272 | T | A | -1.2855 | |
| 273 | K | A | -2.3295 | |
| 274 | T | A | 0.0000 | |
| 275 | L | A | -1.6820 | |
| 276 | D | A | -2.6812 | |
| 277 | L | A | -1.6638 | |
| 278 | V | A | 0.0000 | |
| 279 | K | A | -2.0881 | |
| 280 | A | A | -1.1694 | |
| 281 | G | A | -1.2679 | |
| 282 | F | A | -0.8241 | |
| 283 | P | A | -1.0210 | |
| 284 | E | A | -2.0539 | |
| 285 | G | A | -1.7284 | |
| 286 | K | A | -1.3224 | |
| 287 | Y | A | -0.7850 | |
| 288 | L | A | 0.0000 | |
| 289 | F | A | 0.0000 | |
| 290 | A | A | 0.0000 | |
| 291 | G | A | 0.0000 | |
| 292 | V | A | 0.0000 | |
| 293 | V | A | 0.0000 | |
| 294 | D | A | -0.3569 | |
| 295 | G | A | 0.0000 | |
| 296 | R | A | -0.4913 | |
| 297 | N | A | -0.5461 | |
| 298 | I | A | 0.0000 | |
| 299 | W | A | 0.0000 | |
| 300 | A | A | -0.3826 | |
| 301 | N | A | -0.5845 | |
| 302 | D | A | -0.7712 | |
| 303 | F | A | 0.0000 | |
| 304 | A | A | -0.1312 | |
| 305 | A | A | -0.2149 | |
| 306 | S | A | 0.0000 | |
| 307 | L | A | -0.2229 | |
| 308 | S | A | -0.4445 | |
| 309 | T | A | -0.3483 | |
| 310 | L | A | 0.0000 | |
| 311 | Q | A | -1.3921 | |
| 312 | A | A | -0.7034 | |
| 313 | L | A | 0.0000 | |
| 314 | E | A | -1.3550 | |
| 315 | G | A | -0.8113 | |
| 316 | I | A | -0.2192 | |
| 317 | V | A | -0.7506 | |
| 318 | G | A | -1.5506 | |
| 319 | K | A | -2.6959 | |
| 320 | D | A | -2.7686 | |
| 321 | K | A | -1.8776 | |
| 322 | L | A | 0.0000 | |
| 323 | V | A | 0.0000 | |
| 324 | V | A | 0.0000 | |
| 325 | S | A | 0.0000 | |
| 326 | T | A | 0.0000 | |
| 327 | S | A | 0.0000 | |
| 328 | C | A | 0.0000 | |
| 329 | S | A | -0.1004 | |
| 330 | L | A | 0.0000 | |
| 331 | L | A | 0.0000 | |
| 332 | H | A | 0.0000 | |
| 333 | T | A | 0.0000 | |
| 334 | A | A | 0.0000 | |
| 335 | V | A | 0.0070 | |
| 336 | D | A | 0.1862 | |
| 337 | L | A | 0.0000 | |
| 338 | I | A | 1.7952 | |
| 339 | N | A | 0.0000 | |
| 340 | E | A | 0.0000 | |
| 341 | T | A | -0.8603 | |
| 342 | K | A | -2.1149 | |
| 343 | L | A | -1.6353 | |
| 344 | D | A | -2.3132 | |
| 345 | D | A | -2.7890 | |
| 346 | E | A | -1.7559 | |
| 347 | I | A | 0.0000 | |
| 348 | K | A | -1.4427 | |
| 349 | S | A | -1.0175 | |
| 350 | W | A | 0.0000 | |
| 351 | L | A | 0.0000 | |
| 352 | A | A | 0.0000 | |
| 353 | F | A | 0.0000 | |
| 354 | A | A | 0.0000 | |
| 355 | A | A | 0.3060 | |
| 356 | Q | A | 0.3820 | |
| 357 | K | A | 0.0000 | |
| 358 | V | A | 0.0000 | |
| 359 | V | A | 1.0365 | |
| 360 | E | A | 0.0000 | |
| 361 | V | A | 0.0000 | |
| 362 | N | A | 0.0000 | |
| 363 | A | A | 0.0000 | |
| 364 | L | A | 0.0000 | |
| 365 | A | A | 0.0000 | |
| 366 | K | A | -2.3869 | |
| 367 | A | A | -2.0790 | |
| 368 | L | A | 0.0000 | |
| 369 | A | A | -1.5901 | |
| 370 | G | A | -1.7438 | |
| 371 | Q | A | -2.9021 | |
| 372 | K | A | -3.0937 | |
| 373 | D | A | -3.1337 | |
| 374 | E | A | -2.7253 | |
| 375 | A | A | -1.1392 | |
| 376 | L | A | -0.4370 | |
| 377 | F | A | -0.8443 | |
| 378 | S | A | -0.5677 | |
| 379 | A | A | 0.0048 | |
| 380 | N | A | 0.0000 | |
| 381 | A | A | 0.1061 | |
| 382 | A | A | 0.0278 | |
| 383 | A | A | -0.3256 | |
| 384 | L | A | -0.3843 | |
| 385 | A | A | -0.4698 | |
| 386 | S | A | -0.6880 | |
| 387 | R | A | 0.0000 | |
| 388 | R | A | -2.0597 | |
| 389 | S | A | -1.2666 | |
| 390 | S | A | 0.0000 | |
| 391 | P | A | -1.4317 | |
| 392 | R | A | -1.4432 | |
| 393 | V | A | 0.0000 | |
| 394 | T | A | -1.6609 | |
| 395 | N | A | -2.3762 | |
| 396 | E | A | -2.9917 | |
| 397 | G | A | -2.1629 | |
| 398 | V | A | -1.5203 | |
| 399 | Q | A | -2.1437 | |
| 400 | K | A | -2.5285 | |
| 401 | A | A | -1.3076 | |
| 402 | A | A | 0.0000 | |
| 403 | A | A | -1.2453 | |
| 404 | A | A | -1.0055 | |
| 405 | L | A | 0.0000 | |
| 406 | K | A | -2.2039 | |
| 407 | G | A | -1.7528 | |
| 408 | S | A | -1.8102 | |
| 409 | D | A | -2.4500 | |
| 410 | H | A | -1.5547 | |
| 411 | R | A | -1.6674 | |
| 412 | R | A | -1.2702 | |
| 413 | A | A | -0.6112 | |
| 414 | T | A | -0.9101 | |
| 415 | N | A | -1.4037 | |
| 416 | V | A | -0.8599 | |
| 417 | S | A | -0.8142 | |
| 418 | A | A | -0.9217 | |
| 419 | R | A | 0.0000 | |
| 420 | L | A | -1.3127 | |
| 421 | D | A | -2.4165 | |
| 422 | A | A | -2.1865 | |
| 423 | Q | A | 0.0000 | |
| 424 | Q | A | -3.0318 | |
| 425 | K | A | -3.5613 | |
| 426 | K | A | -3.1425 | |
| 427 | L | A | -2.2242 | |
| 428 | N | A | -2.5951 | |
| 429 | L | A | 0.0000 | |
| 430 | P | A | -0.3089 | |
| 431 | I | A | 0.2965 | |
| 432 | L | A | 0.0000 | |
| 433 | P | A | 0.0000 | |
| 434 | T | A | 0.0000 | |
| 435 | T | A | 0.0000 | |
| 436 | T | A | 0.0000 | |
| 437 | I | A | 0.0000 | |
| 438 | G | A | 0.0000 | |
| 439 | S | A | -0.1875 | |
| 440 | F | A | 0.0000 | |
| 441 | P | A | 0.0000 | |
| 442 | Q | A | 0.0000 | |
| 443 | T | A | -0.6389 | |
| 444 | V | A | 0.1554 | |
| 445 | E | A | -1.8454 | |
| 446 | L | A | 0.0000 | |
| 447 | R | A | -2.9864 | |
| 448 | R | A | -2.8513 | |
| 449 | V | A | 0.0000 | |
| 450 | R | A | 0.0000 | |
| 451 | R | A | -4.1076 | |
| 452 | E | A | -3.2221 | |
| 453 | Y | A | -2.9148 | |
| 454 | K | A | -3.3485 | |
| 455 | A | A | -2.6287 | |
| 456 | K | A | -3.4371 | |
| 457 | K | A | -3.1622 | |
| 458 | V | A | -2.5997 | |
| 459 | S | A | -2.7908 | |
| 460 | E | A | -3.8085 | |
| 461 | E | A | -3.7879 | |
| 462 | D | A | -3.5841 | |
| 463 | Y | A | 0.0000 | |
| 464 | V | A | -2.6430 | |
| 465 | K | A | -3.7578 | |
| 466 | A | A | -2.9527 | |
| 467 | I | A | 0.0000 | |
| 468 | K | A | -3.3084 | |
| 469 | E | A | -3.8567 | |
| 470 | E | A | -3.1545 | |
| 471 | I | A | 0.0000 | |
| 472 | K | A | -3.4108 | |
| 473 | K | A | -3.4774 | |
| 474 | V | A | 0.0000 | |
| 475 | V | A | 0.0000 | |
| 476 | D | A | -2.5823 | |
| 477 | L | A | 0.0000 | |
| 478 | Q | A | 0.0000 | |
| 479 | E | A | -2.3151 | |
| 480 | E | A | -2.7909 | |
| 481 | L | A | 0.0000 | |
| 482 | D | A | -1.9118 | |
| 483 | I | A | 0.0000 | |
| 484 | D | A | -0.6562 | |
| 485 | V | A | 0.0000 | |
| 486 | L | A | 0.0000 | |
| 487 | V | A | 0.0000 | |
| 488 | H | A | 0.0000 | |
| 489 | G | A | 0.0000 | |
| 490 | E | A | 0.0000 | |
| 491 | P | A | 0.0000 | |
| 492 | E | A | 0.0000 | |
| 493 | R | A | 0.0000 | |
| 494 | N | A | -2.0492 | |
| 495 | D | A | -1.0685 | |
| 496 | M | A | -0.3623 | |
| 497 | V | A | 0.0000 | |
| 498 | E | A | -1.0148 | |
| 499 | Y | A | -0.9599 | |
| 500 | F | A | 0.0000 | |
| 501 | G | A | 0.0000 | |
| 502 | E | A | -1.8362 | |
| 503 | Q | A | -1.4375 | |
| 504 | L | A | 0.0000 | |
| 505 | S | A | -0.6789 | |
| 506 | G | A | 0.0000 | |
| 507 | F | A | -0.2854 | |
| 508 | A | A | -0.1592 | |
| 509 | F | A | -0.3258 | |
| 510 | T | A | 0.0000 | |
| 511 | A | A | -0.4176 | |
| 512 | N | A | -0.5272 | |
| 513 | G | A | 0.0000 | |
| 514 | W | A | -0.1939 | |
| 515 | V | A | 0.0000 | |
| 516 | Q | A | 0.0000 | |
| 517 | S | A | -0.4608 | |
| 518 | Y | A | -0.3448 | |
| 519 | G | A | 0.0000 | |
| 520 | S | A | -0.8370 | |
| 521 | R | A | -1.6502 | |
| 522 | C | A | -0.6092 | |
| 523 | V | A | 0.0944 | |
| 524 | K | A | 0.0602 | |
| 525 | P | A | 0.0000 | |
| 526 | P | A | 0.0000 | |
| 527 | V | A | 0.0000 | |
| 528 | I | A | 0.0000 | |
| 529 | Y | A | -0.2010 | |
| 530 | G | A | 0.0000 | |
| 531 | D | A | 0.0000 | |
| 532 | V | A | 0.0000 | |
| 533 | S | A | -0.7081 | |
| 534 | R | A | -1.2503 | |
| 535 | P | A | -1.3818 | |
| 536 | K | A | -2.0203 | |
| 537 | A | A | -0.8363 | |
| 538 | M | A | 0.0000 | |
| 539 | T | A | 0.0000 | |
| 540 | V | A | 0.4751 | |
| 541 | F | A | 1.9552 | |
| 542 | W | A | 0.0000 | |
| 543 | S | A | 0.0000 | |
| 544 | A | A | 0.2235 | |
| 545 | M | A | 0.2139 | |
| 546 | A | A | 0.0000 | |
| 547 | Q | A | -0.4149 | |
| 548 | S | A | -0.2759 | |
| 549 | M | A | -0.3481 | |
| 550 | T | A | -0.5946 | |
| 551 | S | A | -0.4926 | |
| 552 | R | A | -0.8218 | |
| 553 | P | A | -0.6855 | |
| 554 | M | A | 0.0000 | |
| 555 | K | A | 0.0000 | |
| 556 | G | A | 0.0000 | |
| 557 | M | A | 0.0000 | |
| 558 | L | A | 0.0000 | |
| 559 | T | A | 0.0000 | |
| 560 | G | A | 0.0000 | |
| 561 | P | A | 0.0000 | |
| 562 | V | A | 0.0000 | |
| 563 | T | A | 0.0000 | |
| 564 | I | A | 0.0000 | |
| 565 | L | A | 0.0000 | |
| 566 | N | A | -0.2714 | |
| 567 | W | A | 0.1614 | |
| 568 | S | A | 0.0000 | |
| 569 | F | A | 0.0000 | |
| 570 | V | A | 0.0000 | |
| 571 | R | A | 0.0000 | |
| 572 | N | A | -1.6492 | |
| 573 | D | A | -1.4478 | |
| 574 | Q | A | -1.1108 | |
| 575 | P | A | -1.0761 | |
| 576 | R | A | -1.2226 | |
| 577 | H | A | -0.7432 | |
| 578 | E | A | -1.1174 | |
| 579 | T | A | 0.0000 | |
| 580 | C | A | 0.0000 | |
| 581 | Y | A | -0.3044 | |
| 582 | Q | A | 0.0000 | |
| 583 | I | A | 0.0000 | |
| 584 | A | A | 0.0000 | |
| 585 | L | A | -0.1955 | |
| 586 | A | A | 0.0000 | |
| 587 | I | A | 0.0000 | |
| 588 | K | A | -1.3674 | |
| 589 | D | A | -2.3666 | |
| 590 | E | A | 0.0000 | |
| 591 | V | A | 0.0000 | |
| 592 | E | A | -2.2510 | |
| 593 | D | A | -1.9249 | |
| 594 | L | A | 0.0000 | |
| 595 | E | A | -1.9443 | |
| 596 | K | A | -2.4029 | |
| 597 | G | A | -1.2400 | |
| 598 | G | A | -1.3439 | |
| 599 | I | A | 0.0000 | |
| 600 | G | A | -0.9292 | |
| 601 | V | A | 0.0000 | |
| 602 | I | A | 0.0000 | |
| 603 | Q | A | 0.0000 | |
| 604 | I | A | 0.0000 | |
| 605 | D | A | -0.1083 | |
| 606 | E | A | 0.0000 | |
| 607 | A | A | 0.0000 | |
| 608 | A | A | 0.0000 | |
| 609 | L | A | 0.0000 | |
| 610 | R | A | -0.6161 | |
| 611 | E | A | -0.6396 | |
| 612 | G | A | -0.4151 | |
| 613 | L | A | -0.4222 | |
| 614 | P | A | -0.6593 | |
| 615 | L | A | -0.8909 | |
| 616 | R | A | -1.9882 | |
| 617 | K | A | -2.6121 | |
| 618 | S | A | -1.6249 | |
| 619 | E | A | -1.3928 | |
| 620 | H | A | -1.2552 | |
| 621 | A | A | -0.1903 | |
| 622 | F | A | 0.9669 | |
| 623 | Y | A | 0.0000 | |
| 624 | L | A | -0.5798 | |
| 625 | D | A | -1.2183 | |
| 626 | W | A | 0.0000 | |
| 627 | A | A | 0.0000 | |
| 628 | V | A | 0.0000 | |
| 629 | H | A | 0.0000 | |
| 630 | S | A | 0.0000 | |
| 631 | F | A | 0.0000 | |
| 632 | R | A | 0.0000 | |
| 633 | I | A | 0.0000 | |
| 634 | T | A | 0.0000 | |
| 635 | N | A | 0.0000 | |
| 636 | C | A | -0.9547 | |
| 637 | G | A | -1.2516 | |
| 638 | V | A | 0.0000 | |
| 639 | Q | A | -1.6703 | |
| 640 | D | A | -1.3417 | |
| 641 | S | A | -1.6073 | |
| 642 | T | A | 0.0000 | |
| 643 | Q | A | 0.0000 | |
| 644 | I | A | 0.0000 | |
| 645 | H | A | 0.0000 | |
| 646 | T | A | 0.0000 | |
| 647 | H | A | 0.0000 | |
| 648 | M | A | 0.0000 | |
| 649 | C | A | 0.0458 | |
| 650 | Y | A | -0.2344 | |
| 651 | S | A | -1.0910 | |
| 652 | H | A | -1.5586 | |
| 653 | F | A | 0.0000 | |
| 654 | N | A | -2.4526 | |
| 655 | D | A | -2.7150 | |
| 656 | I | A | 0.0000 | |
| 657 | I | A | 0.0000 | |
| 658 | H | A | -1.5238 | |
| 659 | S | A | 0.0000 | |
| 660 | I | A | 0.0000 | |
| 661 | I | A | -0.6910 | |
| 662 | D | A | -1.4998 | |
| 663 | M | A | 0.0000 | |
| 664 | D | A | -0.8799 | |
| 665 | A | A | 0.0000 | |
| 666 | D | A | 0.0000 | |
| 667 | V | A | 0.0000 | |
| 668 | I | A | 0.0000 | |
| 669 | T | A | 0.0000 | |
| 670 | I | A | 0.0000 | |
| 671 | E | A | -0.8589 | |
| 672 | N | A | 0.0000 | |
| 673 | S | A | -1.5266 | |
| 674 | R | A | -2.3524 | |
| 675 | S | A | -2.0768 | |
| 676 | D | A | -2.5884 | |
| 677 | E | A | 0.0000 | |
| 678 | K | A | -2.2286 | |
| 679 | L | A | -1.3150 | |
| 680 | L | A | 0.0000 | |
| 681 | S | A | -1.3129 | |
| 682 | V | A | -1.7446 | |
| 683 | F | A | 0.0000 | |
| 684 | R | A | -2.4491 | |
| 685 | E | A | -2.6776 | |
| 686 | G | A | -1.8833 | |
| 687 | V | A | 0.0000 | |
| 688 | K | A | -2.4579 | |
| 689 | Y | A | 0.0000 | |
| 690 | G | A | -1.2797 | |
| 691 | A | A | 0.0000 | |
| 692 | G | A | 0.0000 | |
| 693 | I | A | 0.0000 | |
| 694 | G | A | 0.0000 | |
| 695 | P | A | 0.0000 | |
| 696 | G | A | 0.0000 | |
| 697 | V | A | 0.0000 | |
| 698 | Y | A | 0.0000 | |
| 699 | D | A | -1.2825 | |
| 700 | I | A | 0.0000 | |
| 701 | H | A | -1.4480 | |
| 702 | S | A | -1.2238 | |
| 703 | P | A | -1.4944 | |
| 704 | R | A | -1.6728 | |
| 705 | I | A | -0.2378 | |
| 706 | P | A | 0.0000 | |
| 707 | S | A | -1.3803 | |
| 708 | S | A | -1.6913 | |
| 709 | E | A | -2.7847 | |
| 710 | E | A | -2.4010 | |
| 711 | I | A | 0.0000 | |
| 712 | A | A | 0.0000 | |
| 713 | D | A | -3.4582 | |
| 714 | R | A | -2.6148 | |
| 715 | V | A | 0.0000 | |
| 716 | N | A | -2.5416 | |
| 717 | K | A | -2.9010 | |
| 718 | M | A | 0.0000 | |
| 719 | L | A | -1.2667 | |
| 720 | A | A | -0.9741 | |
| 721 | V | A | -0.9922 | |
| 722 | L | A | 0.0000 | |
| 723 | E | A | -1.4363 | |
| 724 | Q | A | -1.2561 | |
| 725 | N | A | -1.4997 | |
| 726 | I | A | 0.0000 | |
| 727 | L | A | 0.0000 | |
| 728 | W | A | 0.0000 | |
| 729 | V | A | 0.0000 | |
| 730 | N | A | 0.0000 | |
| 731 | P | A | 0.0000 | |
| 732 | D | A | 0.0000 | |
| 733 | C | A | -0.1973 | |
| 734 | G | A | -0.2730 | |
| 735 | L | A | 0.0000 | |
| 736 | K | A | -0.9785 | |
| 737 | T | A | -0.9798 | |
| 738 | R | A | -1.3553 | |
| 739 | K | A | -1.9440 | |
| 740 | Y | A | -0.9703 | |
| 741 | T | A | -0.7600 | |
| 742 | E | A | 0.0000 | |
| 743 | V | A | 0.0000 | |
| 744 | K | A | -1.8079 | |
| 745 | P | A | -0.8348 | |
| 746 | A | A | 0.0000 | |
| 747 | L | A | 0.0000 | |
| 748 | K | A | -1.9493 | |
| 749 | N | A | -1.5566 | |
| 750 | M | A | 0.0000 | |
| 751 | V | A | 0.0000 | |
| 752 | D | A | -1.4822 | |
| 753 | A | A | 0.0000 | |
| 754 | A | A | 0.0000 | |
| 755 | K | A | -0.8155 | |
| 756 | L | A | 0.0812 | |
| 757 | I | A | -0.4505 | |
| 758 | R | A | -0.3669 | |
| 759 | S | A | -0.6188 | |
| 760 | Q | A | -1.2636 | |
| 761 | L | A | -0.7043 | |
| 762 | A | A | -0.8108 | |
| 763 | S | A | -1.1063 | |
| 764 | A | A | -1.0997 | |
| 765 | K | A | -1.8216 |
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 | -0.7028 | 4.2193 | View | CSV | PDB |
| 4.5 | -0.7605 | 4.2081 | View | CSV | PDB |
| 5.0 | -0.8285 | 4.2081 | View | CSV | PDB |
| 5.5 | -0.893 | 4.2081 | View | CSV | PDB |
| 6.0 | -0.9391 | 4.2081 | View | CSV | PDB |
| 6.5 | -0.9566 | 4.2081 | View | CSV | PDB |
| 7.0 | -0.9466 | 4.2081 | View | CSV | PDB |
| 7.5 | -0.9182 | 4.2081 | View | CSV | PDB |
| 8.0 | -0.8792 | 4.2081 | View | CSV | PDB |
| 8.5 | -0.8319 | 4.2081 | View | CSV | PDB |
| 9.0 | -0.776 | 4.2081 | 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