| Chain sequence(s) |
A: MDLVLKRCLLHLAVIGALLAVGATKVPRNQDWLGVSRQLRTKAWNRQLYPEWTEAQRLDCWRGGQVSLKVSNDGPTLIGANASFSIALNFPGSQKVLPDGQVIWVNNTIINGSQVWGGQPVYPQETDDACIFPDGGPCPSGSWSQKRSFVYVWKTWGQYWQVLGGPVSGLSIGTGRAMLGTHTMEVTVYHRRGSRSYVPLAHSSSAFTITDQVPFSVSVSQLRALDGGNKHFLRNQPLTFALQLHDPSGYLAEADLSYTWDFGDSSGTLISRALVVTHTYLEPGPVTAQVVLQAAIPLTSCGSSPVPGTTDGHRPTAEAPNTTAGQVPTTEVVGTTPGQAPTAEPSGTTSVQVPTTEVISTAPVQMPTAESTGMTPEKVPVSEVMGTTLAEMSTPEATGMTPAEVSIVVLSGTTAAQVTTTEWVETTARELPIPEPEGPDASSIMSTESITGSLGPLLDGTATLRLVKRQVPLDCVLYRYGSFSVTLDIVQGIESAEILQAVPSGEGDAFELTVSCQGGLPKEACMEISSPGCQPPAQRLCQPVLPSPACQLVLHQILKGGSGTYCLNVSLADTNSLAVVSTQLIMPGQEAGLGQVPLIVGILLVLMAVVLASLIYRRRLMKQDFSVPQLPHSSSHWLRLPRIFCSCPIGENSPLLSGQQV
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 partially or entirely disordered. Average 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 (00:06:41)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/cd3ea4ffc7c1a6f/tmp/folded.pdb (00:06:41)
[INFO] Main: Simulation completed successfully. (00:11:08)
|
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 | 0.9068 | |
| 2 | D | A | -0.4650 | |
| 3 | L | A | 0.7466 | |
| 4 | V | A | 1.8326 | |
| 5 | L | A | 1.2632 | |
| 6 | K | A | -0.4985 | |
| 7 | R | A | -0.6033 | |
| 8 | C | A | 1.1149 | |
| 9 | L | A | 1.5760 | |
| 10 | L | A | 1.8089 | |
| 11 | H | A | 1.0226 | |
| 12 | L | A | 2.1875 | |
| 13 | A | A | 2.2445 | |
| 14 | V | A | 2.9881 | |
| 15 | I | A | 3.4325 | |
| 16 | G | A | 2.3685 | |
| 17 | A | A | 2.5050 | |
| 18 | L | A | 3.6824 | |
| 19 | L | A | 3.1650 | |
| 20 | A | A | 2.2520 | |
| 21 | V | A | 2.5503 | |
| 22 | G | A | 1.3782 | |
| 23 | A | A | 0.8353 | |
| 24 | T | A | 0.1288 | |
| 25 | K | A | -1.1330 | |
| 26 | V | A | 0.0871 | |
| 27 | P | A | -1.6505 | |
| 28 | R | A | -3.0102 | |
| 29 | N | A | -2.7526 | |
| 30 | Q | A | -2.7429 | |
| 31 | D | A | -2.4644 | |
| 32 | W | A | -0.5894 | |
| 33 | L | A | 0.8718 | |
| 34 | G | A | 1.0218 | |
| 35 | V | A | 1.7876 | |
| 36 | S | A | 0.3531 | |
| 37 | R | A | -1.0422 | |
| 38 | Q | A | -1.9862 | |
| 39 | L | A | -1.8618 | |
| 40 | R | A | -2.5619 | |
| 41 | T | A | -1.8533 | |
| 42 | K | A | -2.1670 | |
| 43 | A | A | -1.4705 | |
| 44 | W | A | -1.4275 | |
| 45 | N | A | -2.2931 | |
| 46 | R | A | -3.1424 | |
| 47 | Q | A | -2.7765 | |
| 48 | L | A | 0.0000 | |
| 49 | Y | A | 0.0000 | |
| 50 | P | A | -1.9816 | |
| 51 | E | A | -2.3178 | |
| 52 | W | A | -1.4080 | |
| 53 | T | A | -1.6663 | |
| 54 | E | A | -2.0868 | |
| 55 | A | A | -1.2635 | |
| 56 | Q | A | -1.5231 | |
| 57 | R | A | -1.9909 | |
| 58 | L | A | -0.6988 | |
| 59 | D | A | -1.8513 | |
| 60 | C | A | -1.0608 | |
| 61 | W | A | 0.0000 | |
| 62 | R | A | -1.3183 | |
| 63 | G | A | -0.7977 | |
| 64 | G | A | -1.1684 | |
| 65 | Q | A | -1.6472 | |
| 66 | V | A | 0.0000 | |
| 67 | S | A | -1.3472 | |
| 68 | L | A | -1.1731 | |
| 69 | K | A | -1.9358 | |
| 70 | V | A | 0.0000 | |
| 71 | S | A | -0.9017 | |
| 72 | N | A | -0.7346 | |
| 73 | D | A | -0.9442 | |
| 74 | G | A | -0.7351 | |
| 75 | P | A | -0.6585 | |
| 76 | T | A | 0.0000 | |
| 77 | L | A | 0.0000 | |
| 78 | I | A | -0.4733 | |
| 79 | G | A | -1.0237 | |
| 80 | A | A | 0.0000 | |
| 81 | N | A | -1.1009 | |
| 82 | A | A | 0.0000 | |
| 83 | S | A | -0.7068 | |
| 84 | F | A | 0.0000 | |
| 85 | S | A | -0.4285 | |
| 86 | I | A | 0.0000 | |
| 87 | A | A | -0.6277 | |
| 88 | L | A | 0.0000 | |
| 89 | N | A | -1.6578 | |
| 90 | F | A | -0.9310 | |
| 91 | P | A | -1.0985 | |
| 92 | G | A | -0.7308 | |
| 93 | S | A | -0.6829 | |
| 94 | Q | A | 0.0000 | |
| 95 | K | A | -0.8878 | |
| 96 | V | A | 0.2400 | |
| 97 | L | A | 0.0869 | |
| 98 | P | A | -0.2972 | |
| 99 | D | A | -0.6106 | |
| 100 | G | A | 0.0000 | |
| 101 | Q | A | -0.5900 | |
| 102 | V | A | 0.0000 | |
| 103 | I | A | -0.1717 | |
| 104 | W | A | 0.0000 | |
| 105 | V | A | -0.1228 | |
| 106 | N | A | -1.2685 | |
| 107 | N | A | -1.3168 | |
| 108 | T | A | -0.1619 | |
| 109 | I | A | 0.8895 | |
| 110 | I | A | -0.2147 | |
| 111 | N | A | -1.2300 | |
| 112 | G | A | -0.7335 | |
| 113 | S | A | -0.5659 | |
| 114 | Q | A | -0.6837 | |
| 115 | V | A | 0.0000 | |
| 116 | W | A | -0.2036 | |
| 117 | G | A | -0.9581 | |
| 118 | G | A | -0.8489 | |
| 119 | Q | A | -0.8132 | |
| 120 | P | A | -0.3889 | |
| 121 | V | A | 0.0000 | |
| 122 | Y | A | -0.4469 | |
| 123 | P | A | -0.8472 | |
| 124 | Q | A | -1.6943 | |
| 125 | E | A | -2.0483 | |
| 126 | T | A | -1.6290 | |
| 127 | D | A | -2.1918 | |
| 128 | D | A | -2.4410 | |
| 129 | A | A | -1.4209 | |
| 130 | C | A | 0.0000 | |
| 131 | I | A | -0.4742 | |
| 132 | F | A | 0.0000 | |
| 133 | P | A | 0.0000 | |
| 134 | D | A | -1.3417 | |
| 135 | G | A | -0.7286 | |
| 136 | G | A | -0.4699 | |
| 137 | P | A | -0.4498 | |
| 138 | C | A | -0.1509 | |
| 139 | P | A | 0.1160 | |
| 140 | S | A | -0.6929 | |
| 141 | G | A | -0.7313 | |
| 142 | S | A | -0.5622 | |
| 143 | W | A | -0.6861 | |
| 144 | S | A | -1.0735 | |
| 145 | Q | A | -2.2342 | |
| 146 | K | A | -1.9502 | |
| 147 | R | A | 0.0000 | |
| 148 | S | A | -0.7733 | |
| 149 | F | A | 0.0000 | |
| 150 | V | A | 0.0000 | |
| 151 | Y | A | 0.0000 | |
| 152 | V | A | 0.0000 | |
| 153 | W | A | 0.0000 | |
| 154 | K | A | -0.9686 | |
| 155 | T | A | 0.0000 | |
| 156 | W | A | -0.0110 | |
| 157 | G | A | -0.6469 | |
| 158 | Q | A | -1.1854 | |
| 159 | Y | A | -1.1343 | |
| 160 | W | A | 0.0000 | |
| 161 | Q | A | 0.0000 | |
| 162 | V | A | 0.0000 | |
| 163 | L | A | 0.0000 | |
| 164 | G | A | 0.0000 | |
| 165 | G | A | 0.0000 | |
| 166 | P | A | 0.0000 | |
| 167 | V | A | 0.3465 | |
| 168 | S | A | 0.0000 | |
| 169 | G | A | 0.2606 | |
| 170 | L | A | 0.0000 | |
| 171 | S | A | -0.3684 | |
| 172 | I | A | 0.0000 | |
| 173 | G | A | -1.2363 | |
| 174 | T | A | 0.0000 | |
| 175 | G | A | -1.4548 | |
| 176 | R | A | -1.7919 | |
| 177 | A | A | 0.0000 | |
| 178 | M | A | 0.9753 | |
| 179 | L | A | 1.0450 | |
| 180 | G | A | 0.3278 | |
| 181 | T | A | 0.0978 | |
| 182 | H | A | 0.0486 | |
| 183 | T | A | -0.3452 | |
| 184 | M | A | 0.0000 | |
| 185 | E | A | -0.9215 | |
| 186 | V | A | 0.0000 | |
| 187 | T | A | -0.6072 | |
| 188 | V | A | 0.0000 | |
| 189 | Y | A | 0.0000 | |
| 190 | H | A | 0.0000 | |
| 191 | R | A | 0.0000 | |
| 192 | R | A | -0.9047 | |
| 193 | G | A | -1.4722 | |
| 194 | S | A | -1.6565 | |
| 195 | R | A | -2.0732 | |
| 196 | S | A | -1.1929 | |
| 197 | Y | A | 0.0000 | |
| 198 | V | A | 0.1417 | |
| 199 | P | A | 0.0000 | |
| 200 | L | A | 0.0000 | |
| 201 | A | A | 0.0000 | |
| 202 | H | A | -1.2591 | |
| 203 | S | A | -0.7384 | |
| 204 | S | A | -0.8021 | |
| 205 | S | A | -0.5561 | |
| 206 | A | A | -0.2356 | |
| 207 | F | A | 0.0000 | |
| 208 | T | A | 0.0327 | |
| 209 | I | A | 0.0000 | |
| 210 | T | A | -0.3992 | |
| 211 | D | A | -1.0838 | |
| 212 | Q | A | -1.5812 | |
| 213 | V | A | 0.0000 | |
| 214 | P | A | -0.6160 | |
| 215 | F | A | -0.3595 | |
| 216 | S | A | -0.3857 | |
| 217 | V | A | 0.0000 | |
| 218 | S | A | -0.2048 | |
| 219 | V | A | -0.1163 | |
| 220 | S | A | -0.5758 | |
| 221 | Q | A | 0.0000 | |
| 222 | L | A | 0.7773 | |
| 223 | R | A | -0.8869 | |
| 224 | A | A | -0.7881 | |
| 225 | L | A | 0.1120 | |
| 226 | D | A | -2.2742 | |
| 227 | G | A | -1.9074 | |
| 228 | G | A | -1.9775 | |
| 229 | N | A | -2.4581 | |
| 230 | K | A | -2.5735 | |
| 231 | H | A | -1.9627 | |
| 232 | F | A | 0.0000 | |
| 233 | L | A | 0.0000 | |
| 234 | R | A | -0.9255 | |
| 235 | N | A | -0.7232 | |
| 236 | Q | A | -0.5434 | |
| 237 | P | A | -0.4639 | |
| 238 | L | A | 0.0000 | |
| 239 | T | A | 0.3763 | |
| 240 | F | A | 0.0000 | |
| 241 | A | A | 0.5684 | |
| 242 | L | A | 0.0000 | |
| 243 | Q | A | -0.7998 | |
| 244 | L | A | -0.2685 | |
| 245 | H | A | -0.8041 | |
| 246 | D | A | -0.8952 | |
| 247 | P | A | -0.7792 | |
| 248 | S | A | -0.7694 | |
| 249 | G | A | -0.8021 | |
| 250 | Y | A | -0.5288 | |
| 251 | L | A | 0.0000 | |
| 252 | A | A | -1.1485 | |
| 253 | E | A | -2.2095 | |
| 254 | A | A | -1.5270 | |
| 255 | D | A | -2.3265 | |
| 256 | L | A | -1.2576 | |
| 257 | S | A | -0.4835 | |
| 258 | Y | A | 0.0000 | |
| 259 | T | A | 0.6033 | |
| 260 | W | A | 0.0000 | |
| 261 | D | A | -0.6363 | |
| 262 | F | A | 0.0000 | |
| 263 | G | A | -1.1695 | |
| 264 | D | A | -1.2100 | |
| 265 | S | A | -0.9362 | |
| 266 | S | A | -0.6135 | |
| 267 | G | A | -0.5186 | |
| 268 | T | A | 0.1540 | |
| 269 | L | A | 1.2641 | |
| 270 | I | A | 1.8479 | |
| 271 | S | A | 0.5477 | |
| 272 | R | A | -1.2442 | |
| 273 | A | A | 0.2986 | |
| 274 | L | A | 0.9680 | |
| 275 | V | A | 1.5116 | |
| 276 | V | A | 0.0000 | |
| 277 | T | A | 0.1145 | |
| 278 | H | A | -0.1185 | |
| 279 | T | A | -0.3445 | |
| 280 | Y | A | 0.0000 | |
| 281 | L | A | 0.2108 | |
| 282 | E | A | -1.4733 | |
| 283 | P | A | -1.1278 | |
| 284 | G | A | -0.9812 | |
| 285 | P | A | -0.9423 | |
| 286 | V | A | -0.6665 | |
| 287 | T | A | -0.5450 | |
| 288 | A | A | 0.0000 | |
| 289 | Q | A | -0.7407 | |
| 290 | V | A | 0.0000 | |
| 291 | V | A | 0.4533 | |
| 292 | L | A | 0.0000 | |
| 293 | Q | A | -0.5227 | |
| 294 | A | A | 0.0000 | |
| 295 | A | A | -0.4647 | |
| 296 | I | A | 0.0000 | |
| 297 | P | A | -0.3611 | |
| 298 | L | A | 0.5185 | |
| 299 | T | A | 0.1995 | |
| 300 | S | A | 0.0180 | |
| 301 | C | A | 0.0201 | |
| 302 | G | A | -0.4211 | |
| 303 | S | A | -0.2659 | |
| 304 | S | A | -0.0523 | |
| 305 | P | A | 0.2362 | |
| 306 | V | A | 1.2950 | |
| 307 | P | A | 0.2439 | |
| 308 | G | A | -0.3600 | |
| 309 | T | A | -0.5398 | |
| 310 | T | A | -1.2105 | |
| 311 | D | A | -2.5596 | |
| 312 | G | A | -2.3103 | |
| 313 | H | A | -2.5615 | |
| 314 | R | A | -2.7441 | |
| 315 | P | A | -1.3893 | |
| 316 | T | A | -0.9443 | |
| 317 | A | A | -0.9653 | |
| 318 | E | A | -1.8291 | |
| 319 | A | A | -1.1990 | |
| 320 | P | A | -1.2309 | |
| 321 | N | A | -1.4351 | |
| 322 | T | A | -0.7925 | |
| 323 | T | A | -0.4333 | |
| 324 | A | A | -0.4452 | |
| 325 | G | A | -0.6794 | |
| 326 | Q | A | -0.6036 | |
| 327 | V | A | 0.9156 | |
| 328 | P | A | 0.3773 | |
| 329 | T | A | -0.3337 | |
| 330 | T | A | -0.4620 | |
| 331 | E | A | -0.6153 | |
| 332 | V | A | 1.6322 | |
| 333 | V | A | 1.9733 | |
| 334 | G | A | 0.6935 | |
| 335 | T | A | -0.0411 | |
| 336 | T | A | -0.5866 | |
| 337 | P | A | -0.8451 | |
| 338 | G | A | -1.2775 | |
| 339 | Q | A | -1.5539 | |
| 340 | A | A | -0.7462 | |
| 341 | P | A | -0.7059 | |
| 342 | T | A | -0.5341 | |
| 343 | A | A | -1.0154 | |
| 344 | E | A | -2.0681 | |
| 345 | P | A | -1.3453 | |
| 346 | S | A | -1.0584 | |
| 347 | G | A | -0.9249 | |
| 348 | T | A | -0.2464 | |
| 349 | T | A | -0.0005 | |
| 350 | S | A | 0.4528 | |
| 351 | V | A | 1.5122 | |
| 352 | Q | A | 0.3874 | |
| 353 | V | A | 1.5024 | |
| 354 | P | A | 0.2507 | |
| 355 | T | A | -0.1271 | |
| 356 | T | A | -0.1373 | |
| 357 | E | A | -0.4632 | |
| 358 | V | A | 1.7868 | |
| 359 | I | A | 2.3095 | |
| 360 | S | A | 0.9834 | |
| 361 | T | A | 0.6556 | |
| 362 | A | A | 0.3272 | |
| 363 | P | A | 0.4049 | |
| 364 | V | A | 1.3146 | |
| 365 | Q | A | 0.0462 | |
| 366 | M | A | 0.7657 | |
| 367 | P | A | -0.0680 | |
| 368 | T | A | -0.5218 | |
| 369 | A | A | -0.8494 | |
| 370 | E | A | -2.0040 | |
| 371 | S | A | -1.2377 | |
| 372 | T | A | -0.6011 | |
| 373 | G | A | -0.2371 | |
| 374 | M | A | 0.7244 | |
| 375 | T | A | -0.1397 | |
| 376 | P | A | -1.3228 | |
| 377 | E | A | -2.4478 | |
| 378 | K | A | -1.8514 | |
| 379 | V | A | 0.8686 | |
| 380 | P | A | 1.1781 | |
| 381 | V | A | 1.5085 | |
| 382 | S | A | 0.1069 | |
| 383 | E | A | -0.4544 | |
| 384 | V | A | 1.2383 | |
| 385 | M | A | 1.2346 | |
| 386 | G | A | 0.2176 | |
| 387 | T | A | 0.4631 | |
| 388 | T | A | 0.5502 | |
| 389 | L | A | 1.1236 | |
| 390 | A | A | 0.1456 | |
| 391 | E | A | -0.9943 | |
| 392 | M | A | 0.0493 | |
| 393 | S | A | -0.2115 | |
| 394 | T | A | -0.6930 | |
| 395 | P | A | -1.2022 | |
| 396 | E | A | -1.9996 | |
| 397 | A | A | -1.0145 | |
| 398 | T | A | -0.5232 | |
| 399 | G | A | -0.1834 | |
| 400 | M | A | 0.7073 | |
| 401 | T | A | 0.2133 | |
| 402 | P | A | -0.4955 | |
| 403 | A | A | -0.5772 | |
| 404 | E | A | -0.8362 | |
| 405 | V | A | 1.4006 | |
| 406 | S | A | 1.7985 | |
| 407 | I | A | 3.5592 | |
| 408 | V | A | 4.0846 | |
| 409 | V | A | 3.7671 | |
| 410 | L | A | 2.8116 | |
| 411 | S | A | 0.9069 | |
| 412 | G | A | -0.0282 | |
| 413 | T | A | -0.2107 | |
| 414 | T | A | -0.2854 | |
| 415 | A | A | -0.0839 | |
| 416 | A | A | -0.0631 | |
| 417 | Q | A | -0.3326 | |
| 418 | V | A | 1.1564 | |
| 419 | T | A | 0.1845 | |
| 420 | T | A | -0.2076 | |
| 421 | T | A | -0.2340 | |
| 422 | E | A | -1.0308 | |
| 423 | W | A | 0.6512 | |
| 424 | V | A | 0.9202 | |
| 425 | E | A | -0.9024 | |
| 426 | T | A | -0.5684 | |
| 427 | T | A | -1.0133 | |
| 428 | A | A | -1.5734 | |
| 429 | R | A | -2.4080 | |
| 430 | E | A | -1.8013 | |
| 431 | L | A | 0.6128 | |
| 432 | P | A | 0.6319 | |
| 433 | I | A | 1.5711 | |
| 434 | P | A | -0.4710 | |
| 435 | E | A | -2.1946 | |
| 436 | P | A | -2.2025 | |
| 437 | E | A | -2.7015 | |
| 438 | G | A | -2.1098 | |
| 439 | P | A | -1.7554 | |
| 440 | D | A | -2.0321 | |
| 441 | A | A | -1.0139 | |
| 442 | S | A | -0.2563 | |
| 443 | S | A | 0.8733 | |
| 444 | I | A | 2.3302 | |
| 445 | M | A | 1.8567 | |
| 446 | S | A | 0.3068 | |
| 447 | T | A | -0.8821 | |
| 448 | E | A | -1.5755 | |
| 449 | S | A | -0.1508 | |
| 450 | I | A | 1.3864 | |
| 451 | T | A | 0.5700 | |
| 452 | G | A | 0.1360 | |
| 453 | S | A | 0.1437 | |
| 454 | L | A | 1.2124 | |
| 455 | G | A | 0.4767 | |
| 456 | P | A | 0.8217 | |
| 457 | L | A | 1.7514 | |
| 458 | L | A | 1.0978 | |
| 459 | D | A | -0.7891 | |
| 460 | G | A | -0.8317 | |
| 461 | T | A | -0.3260 | |
| 462 | A | A | -0.1727 | |
| 463 | T | A | 0.2801 | |
| 464 | L | A | 1.2847 | |
| 465 | R | A | -0.1289 | |
| 466 | L | A | 1.0901 | |
| 467 | V | A | 0.5920 | |
| 468 | K | A | -1.6507 | |
| 469 | R | A | -2.1630 | |
| 470 | Q | A | -1.3817 | |
| 471 | V | A | 0.7292 | |
| 472 | P | A | 0.6983 | |
| 473 | L | A | 1.0150 | |
| 474 | D | A | -0.5369 | |
| 475 | C | A | 0.4589 | |
| 476 | V | A | 0.6041 | |
| 477 | L | A | 0.8016 | |
| 478 | Y | A | 0.2101 | |
| 479 | R | A | -0.2137 | |
| 480 | Y | A | -0.1740 | |
| 481 | G | A | 0.0000 | |
| 482 | S | A | -0.1986 | |
| 483 | F | A | 0.1581 | |
| 484 | S | A | -0.3051 | |
| 485 | V | A | -0.1413 | |
| 486 | T | A | -0.4839 | |
| 487 | L | A | 0.0000 | |
| 488 | D | A | -1.2423 | |
| 489 | I | A | 0.0000 | |
| 490 | V | A | -0.9499 | |
| 491 | Q | A | -0.8845 | |
| 492 | G | A | 0.0000 | |
| 493 | I | A | 0.0000 | |
| 494 | E | A | -1.0016 | |
| 495 | S | A | -0.7756 | |
| 496 | A | A | -0.7772 | |
| 497 | E | A | -1.6944 | |
| 498 | I | A | -0.7012 | |
| 499 | L | A | -0.3917 | |
| 500 | Q | A | -0.6237 | |
| 501 | A | A | 0.1285 | |
| 502 | V | A | 0.7338 | |
| 503 | P | A | -0.0527 | |
| 504 | S | A | -1.1162 | |
| 505 | G | A | -1.5296 | |
| 506 | E | A | -2.7869 | |
| 507 | G | A | -2.2194 | |
| 508 | D | A | -2.5160 | |
| 509 | A | A | 0.0000 | |
| 510 | F | A | 0.0000 | |
| 511 | E | A | -0.5305 | |
| 512 | L | A | 0.0000 | |
| 513 | T | A | -0.1095 | |
| 514 | V | A | 0.0000 | |
| 515 | S | A | -0.9726 | |
| 516 | C | A | -1.3181 | |
| 517 | Q | A | -1.8046 | |
| 518 | G | A | -1.1769 | |
| 519 | G | A | -0.7525 | |
| 520 | L | A | -0.4807 | |
| 521 | P | A | 0.0000 | |
| 522 | K | A | -1.8630 | |
| 523 | E | A | -1.8809 | |
| 524 | A | A | 0.0000 | |
| 525 | C | A | -0.5178 | |
| 526 | M | A | 0.0000 | |
| 527 | E | A | -1.6877 | |
| 528 | I | A | 0.0000 | |
| 529 | S | A | 0.0000 | |
| 530 | S | A | -1.2177 | |
| 531 | P | A | -0.5460 | |
| 532 | G | A | -0.7712 | |
| 533 | C | A | -0.8825 | |
| 534 | Q | A | -1.4579 | |
| 535 | P | A | -1.1608 | |
| 536 | P | A | -1.2421 | |
| 537 | A | A | -1.5659 | |
| 538 | Q | A | -2.1476 | |
| 539 | R | A | -2.2561 | |
| 540 | L | A | -0.5608 | |
| 541 | C | A | -0.5542 | |
| 542 | Q | A | -1.1646 | |
| 543 | P | A | -1.2233 | |
| 544 | V | A | -0.3504 | |
| 545 | L | A | 0.8970 | |
| 546 | P | A | 0.0130 | |
| 547 | S | A | -0.0221 | |
| 548 | P | A | -0.2651 | |
| 549 | A | A | -0.5799 | |
| 550 | C | A | 0.0000 | |
| 551 | Q | A | -1.0308 | |
| 552 | L | A | 0.0000 | |
| 553 | V | A | 0.8969 | |
| 554 | L | A | 0.0000 | |
| 555 | H | A | -0.5665 | |
| 556 | Q | A | -0.3265 | |
| 557 | I | A | 0.0412 | |
| 558 | L | A | 0.0000 | |
| 559 | K | A | -2.0521 | |
| 560 | G | A | -1.5648 | |
| 561 | G | A | -1.7042 | |
| 562 | S | A | -0.9530 | |
| 563 | G | A | 0.0302 | |
| 564 | T | A | 0.0962 | |
| 565 | Y | A | 0.0000 | |
| 566 | C | A | -0.5467 | |
| 567 | L | A | 0.0000 | |
| 568 | N | A | -0.7557 | |
| 569 | V | A | 0.0000 | |
| 570 | S | A | 0.5241 | |
| 571 | L | A | 0.0000 | |
| 572 | A | A | -0.4611 | |
| 573 | D | A | -1.0559 | |
| 574 | T | A | -0.5455 | |
| 575 | N | A | -0.6328 | |
| 576 | S | A | 0.0000 | |
| 577 | L | A | 0.5770 | |
| 578 | A | A | 0.0000 | |
| 579 | V | A | 1.4453 | |
| 580 | V | A | 0.3183 | |
| 581 | S | A | -0.4825 | |
| 582 | T | A | -1.0120 | |
| 583 | Q | A | -0.8098 | |
| 584 | L | A | 0.0000 | |
| 585 | I | A | 1.6752 | |
| 586 | M | A | 0.0000 | |
| 587 | P | A | -1.1264 | |
| 588 | G | A | -1.5909 | |
| 589 | Q | A | -2.7336 | |
| 590 | E | A | -2.4748 | |
| 591 | A | A | -1.1011 | |
| 592 | G | A | -0.7204 | |
| 593 | L | A | 0.6925 | |
| 594 | G | A | -0.0180 | |
| 595 | Q | A | 0.3434 | |
| 596 | V | A | 1.7571 | |
| 597 | P | A | 1.8452 | |
| 598 | L | A | 2.8619 | |
| 599 | I | A | 3.3267 | |
| 600 | V | A | 3.9340 | |
| 601 | G | A | 3.7570 | |
| 602 | I | A | 4.7422 | |
| 603 | L | A | 5.0604 | |
| 604 | L | A | 5.2549 | |
| 605 | V | A | 5.3337 | |
| 606 | L | A | 5.3607 | |
| 607 | M | A | 4.4822 | |
| 608 | A | A | 3.9838 | |
| 609 | V | A | 4.4731 | |
| 610 | V | A | 4.3397 | |
| 611 | L | A | 3.5520 | |
| 612 | A | A | 2.6112 | |
| 613 | S | A | 1.8793 | |
| 614 | L | A | 1.7664 | |
| 615 | I | A | 1.9328 | |
| 616 | Y | A | 1.1087 | |
| 617 | R | A | -0.6293 | |
| 618 | R | A | -1.9382 | |
| 619 | R | A | -2.2601 | |
| 620 | L | A | -0.6771 | |
| 621 | M | A | -0.8660 | |
| 622 | K | A | -2.7436 | |
| 623 | Q | A | -2.4582 | |
| 624 | D | A | -1.5455 | |
| 625 | F | A | 1.0039 | |
| 626 | S | A | 0.7565 | |
| 627 | V | A | 1.6374 | |
| 628 | P | A | 0.5031 | |
| 629 | Q | A | -0.2667 | |
| 630 | L | A | 0.5555 | |
| 631 | P | A | -0.1528 | |
| 632 | H | A | -0.9499 | |
| 633 | S | A | -0.9807 | |
| 634 | S | A | -0.8715 | |
| 635 | S | A | -0.6683 | |
| 636 | H | A | -0.2738 | |
| 637 | W | A | 1.2108 | |
| 638 | L | A | 1.3840 | |
| 639 | R | A | 0.0163 | |
| 640 | L | A | 0.6970 | |
| 641 | P | A | -0.3236 | |
| 642 | R | A | -0.0560 | |
| 643 | I | A | 2.1876 | |
| 644 | F | A | 2.9216 | |
| 645 | C | A | 2.0852 | |
| 646 | S | A | 0.9215 | |
| 647 | C | A | 1.0914 | |
| 648 | P | A | 0.8945 | |
| 649 | I | A | 1.4014 | |
| 650 | G | A | -0.5170 | |
| 651 | E | A | -2.3008 | |
| 652 | N | A | -2.4440 | |
| 653 | S | A | -1.0120 | |
| 654 | P | A | 0.4124 | |
| 655 | L | A | 2.0859 | |
| 656 | L | A | 2.0394 | |
| 657 | S | A | 0.5097 | |
| 658 | G | A | -1.0289 | |
| 659 | Q | A | -1.6787 | |
| 660 | Q | A | -0.9360 | |
| 661 | V | A | 0.8909 |
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 partially or entirely disordered. Average score is recommended for pH analysis.
pH |
Average A4D Score |
Max A4D Score |
|||
| 4.0 | 0.2971 | 6.3602 | View | CSV | PDB |
| 4.5 | 0.2462 | 6.3602 | View | CSV | PDB |
| 5.0 | 0.1825 | 6.3602 | View | CSV | PDB |
| 5.5 | 0.1169 | 6.3602 | View | CSV | PDB |
| 6.0 | 0.0601 | 6.3602 | View | CSV | PDB |
| 6.5 | 0.0199 | 6.3602 | View | CSV | PDB |
| 7.0 | -0.002 | 6.3602 | View | CSV | PDB |
| 7.5 | -0.0106 | 6.3602 | View | CSV | PDB |
| 8.0 | -0.0115 | 6.3602 | View | CSV | PDB |
| 8.5 | -0.0069 | 6.3602 | View | CSV | PDB |
| 9.0 | 0.0034 | 6.3602 | 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