| Chain sequence(s) |
A: MSRRHFYSAVLLLLLVVMVCGGSGAAHAVERNSGDLQLPQEIAMLVPNKTQVVPKSGGEGKVKDIFASPALVRAGGVMIAFVEGRTKNKLFPEVIDLSSSDIVAGYIKAPETWQSLVAEVTKEYWQAHTVLESANNSNHRVGVARLPTGITRGNKVFLLVGSYEERREIDDYIWKAEAWNIKVIEGEATQSTEVQPTQPINWSEPKPLFQTDSPNNKGDLKEFLGGGGSGIVMGNGTLVFPLTAKDESNKVFSLITYSTDDGQKWEIPGGVSSVACRSPRVTEWEEGTLLMVTYCEDGRKVFESRDMGKTWTEAFGTLPGVWLKSGPELPEVSLRVDALITATIEGRKVMLYTQKVRHFLEVDEPNALHLWVTDNNRTFHLGPFSVDCAENKTFANTLLYSDDALHLLQAKGDHESTAVSLARLTEELNTINSVLSTWVQLDASFSESSIPTAGLVGFLSNTTSSGDTWIDGYRCMNATVTKAAKVENGFKFTGPGSRATWPVNSRWDIKQYGFVDYNFTIVAMATIHQVPSESTPLLGASLRGNKRTKLIGLSYGAGGKWETVYDGTKTVQGGTWEPGREYQVALMLQDGNKGFVYVDGVLVGNPAMLPTPEERWTEFSHFYFGGDEGDSGSDATLTDVFLYNRPLSVGELKMIKEVEDKKEKGSGDSEDKKESGDSEDKKESGDSEDKKGSGDSEDKKESGDSEDKKESGDSEDKKGSGDGAFTPAVSNATTHTAEEETVNQSASGTFSITDSTEGDVSSDENGETTGGADGQEEDIQPQDGEANAAALGLALKSSLGTSSQWDGSVAGTMRESRVLLPSLFLLLGLWGFAAL
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 |
| Mutated residues | LD823A |
| Energy difference between WT (input) and mutated protein (by FoldX) | -1.14964 kcal/mol |
| 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. (00:00:05)
[INFO] FoldX: Starting FoldX energy minimization (00:00:05)
[INFO] FoldX: Building mutant model (00:04:54)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:05:00)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/5e43a2013b079b0/tmp/folded.pdb (00:05:00)
[INFO] Main: Simulation completed successfully. (00:09:02)
|
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 | 0.5066 | |
| 2 | S | A | -1.0123 | |
| 3 | R | A | -2.6770 | |
| 4 | R | A | -2.6802 | |
| 5 | H | A | -1.1360 | |
| 6 | F | A | 1.4160 | |
| 7 | Y | A | 1.9399 | |
| 8 | S | A | 1.5547 | |
| 9 | A | A | 2.0630 | |
| 10 | V | A | 3.2746 | |
| 11 | L | A | 3.7604 | |
| 12 | L | A | 4.1609 | |
| 13 | L | A | 4.3810 | |
| 14 | L | A | 4.4124 | |
| 15 | L | A | 4.2307 | |
| 16 | V | A | 4.3002 | |
| 17 | V | A | 4.2350 | |
| 18 | M | A | 3.4792 | |
| 19 | V | A | 3.1285 | |
| 20 | C | A | 1.8293 | |
| 21 | G | A | 0.2306 | |
| 22 | G | A | -0.4983 | |
| 23 | S | A | -0.6767 | |
| 24 | G | A | -0.7980 | |
| 25 | A | A | -0.4580 | |
| 26 | A | A | -0.3288 | |
| 27 | H | A | -0.7587 | |
| 28 | A | A | -0.3698 | |
| 29 | V | A | 0.0603 | |
| 30 | E | A | -2.3893 | |
| 31 | R | A | -3.0009 | |
| 32 | N | A | -2.9277 | |
| 33 | S | A | -2.1483 | |
| 34 | G | A | -1.8581 | |
| 35 | D | A | -1.8029 | |
| 36 | L | A | 0.0249 | |
| 37 | Q | A | -1.0455 | |
| 38 | L | A | -0.0041 | |
| 39 | P | A | -1.0096 | |
| 40 | Q | A | -0.8336 | |
| 41 | E | A | -0.5025 | |
| 42 | I | A | 0.0000 | |
| 43 | A | A | 0.5748 | |
| 44 | M | A | 0.0000 | |
| 45 | L | A | 0.0000 | |
| 46 | V | A | -0.2731 | |
| 47 | P | A | -1.1179 | |
| 48 | N | A | -2.0456 | |
| 49 | K | A | -2.3252 | |
| 50 | T | A | 0.0000 | |
| 51 | Q | A | -1.6591 | |
| 52 | V | A | 0.0000 | |
| 53 | V | A | -1.3126 | |
| 54 | P | A | -1.6627 | |
| 55 | K | A | -1.4647 | |
| 56 | S | A | -1.2490 | |
| 57 | G | A | -1.3134 | |
| 58 | G | A | -1.8829 | |
| 59 | E | A | -2.6349 | |
| 60 | G | A | -2.0194 | |
| 61 | K | A | -2.3644 | |
| 62 | V | A | -1.1056 | |
| 63 | K | A | 0.0000 | |
| 64 | D | A | -1.0831 | |
| 65 | I | A | 0.0000 | |
| 66 | F | A | 0.0000 | |
| 67 | A | A | -0.1378 | |
| 68 | S | A | 0.0301 | |
| 69 | P | A | 0.0000 | |
| 70 | A | A | 0.0000 | |
| 71 | L | A | 0.0000 | |
| 72 | V | A | 0.0000 | |
| 73 | R | A | -0.9031 | |
| 74 | A | A | 0.0000 | |
| 75 | G | A | -1.5905 | |
| 76 | G | A | -1.1383 | |
| 77 | V | A | 0.0000 | |
| 78 | M | A | 0.0000 | |
| 79 | I | A | 0.0000 | |
| 80 | A | A | 0.0000 | |
| 81 | F | A | 0.0000 | |
| 82 | V | A | 0.0000 | |
| 83 | E | A | 0.0000 | |
| 84 | G | A | 0.0000 | |
| 85 | R | A | -0.6326 | |
| 86 | T | A | -0.8670 | |
| 87 | K | A | -1.1419 | |
| 88 | N | A | -1.4036 | |
| 89 | K | A | -1.5124 | |
| 90 | L | A | 0.1215 | |
| 91 | F | A | -0.2265 | |
| 92 | P | A | -0.8465 | |
| 93 | E | A | -1.4098 | |
| 94 | V | A | -0.2739 | |
| 95 | I | A | 0.2492 | |
| 96 | D | A | -1.5488 | |
| 97 | L | A | 0.0000 | |
| 98 | S | A | 0.0000 | |
| 99 | S | A | -1.2727 | |
| 100 | S | A | 0.0000 | |
| 101 | D | A | -0.8963 | |
| 102 | I | A | 0.0000 | |
| 103 | V | A | 0.0000 | |
| 104 | A | A | 0.0000 | |
| 105 | G | A | 0.0000 | |
| 106 | Y | A | 0.0000 | |
| 107 | I | A | 0.0000 | |
| 108 | K | A | -1.3914 | |
| 109 | A | A | -1.1865 | |
| 110 | P | A | 0.0000 | |
| 111 | E | A | -2.2708 | |
| 112 | T | A | -1.2341 | |
| 113 | W | A | -0.9654 | |
| 114 | Q | A | -1.3690 | |
| 115 | S | A | -1.1339 | |
| 116 | L | A | 0.0000 | |
| 117 | V | A | -0.4283 | |
| 118 | A | A | -0.5732 | |
| 119 | E | A | -0.9113 | |
| 120 | V | A | 0.0000 | |
| 121 | T | A | -0.5368 | |
| 122 | K | A | -1.3852 | |
| 123 | E | A | -1.6716 | |
| 124 | Y | A | -0.0411 | |
| 125 | W | A | -0.4989 | |
| 126 | Q | A | -0.8483 | |
| 127 | A | A | 0.0000 | |
| 128 | H | A | 0.0000 | |
| 129 | T | A | 0.0000 | |
| 130 | V | A | 0.0000 | |
| 131 | L | A | 0.0000 | |
| 132 | E | A | -1.8153 | |
| 133 | S | A | -1.3567 | |
| 134 | A | A | -1.4328 | |
| 135 | N | A | -2.4718 | |
| 136 | N | A | -2.6300 | |
| 137 | S | A | -2.1860 | |
| 138 | N | A | -2.0718 | |
| 139 | H | A | -1.5067 | |
| 140 | R | A | -2.6157 | |
| 141 | V | A | 0.0000 | |
| 142 | G | A | 0.0000 | |
| 143 | V | A | 0.0000 | |
| 144 | A | A | 0.0000 | |
| 145 | R | A | -0.5445 | |
| 146 | L | A | -0.0290 | |
| 147 | P | A | 0.0000 | |
| 148 | T | A | 0.0000 | |
| 149 | G | A | 0.0000 | |
| 150 | I | A | 0.0000 | |
| 151 | T | A | -0.8835 | |
| 152 | R | A | -1.3458 | |
| 153 | G | A | -1.5339 | |
| 154 | N | A | -2.0089 | |
| 155 | K | A | -2.2720 | |
| 156 | V | A | 0.0000 | |
| 157 | F | A | 0.0000 | |
| 158 | L | A | 0.0000 | |
| 159 | L | A | 0.0000 | |
| 160 | V | A | 0.0000 | |
| 161 | G | A | 0.0000 | |
| 162 | S | A | 0.0000 | |
| 163 | Y | A | 0.0000 | |
| 164 | E | A | -1.5317 | |
| 165 | E | A | -1.7336 | |
| 166 | R | A | -1.6549 | |
| 167 | R | A | 0.0000 | |
| 168 | E | A | -0.7462 | |
| 169 | I | A | 0.6571 | |
| 170 | D | A | -1.4558 | |
| 171 | D | A | -1.6510 | |
| 172 | Y | A | 0.2110 | |
| 173 | I | A | -0.3660 | |
| 174 | W | A | 0.0000 | |
| 175 | K | A | -1.8625 | |
| 176 | A | A | -1.4888 | |
| 177 | E | A | -1.5966 | |
| 178 | A | A | -0.6707 | |
| 179 | W | A | -0.6069 | |
| 180 | N | A | -0.8625 | |
| 181 | I | A | 0.0000 | |
| 182 | K | A | -1.0947 | |
| 183 | V | A | 0.0000 | |
| 184 | I | A | 0.0000 | |
| 185 | E | A | -2.0158 | |
| 186 | G | A | 0.0000 | |
| 187 | E | A | -2.9517 | |
| 188 | A | A | 0.0000 | |
| 189 | T | A | -1.6505 | |
| 190 | Q | A | -1.8265 | |
| 191 | S | A | -1.1756 | |
| 192 | T | A | -0.9964 | |
| 193 | E | A | -1.5587 | |
| 194 | V | A | 0.2680 | |
| 195 | Q | A | -1.1446 | |
| 196 | P | A | -0.9077 | |
| 197 | T | A | -0.7260 | |
| 198 | Q | A | -0.9448 | |
| 199 | P | A | 0.0000 | |
| 200 | I | A | 0.0000 | |
| 201 | N | A | -2.0683 | |
| 202 | W | A | -1.6277 | |
| 203 | S | A | -1.9159 | |
| 204 | E | A | -2.4370 | |
| 205 | P | A | -1.9592 | |
| 206 | K | A | -2.5973 | |
| 207 | P | A | -1.4241 | |
| 208 | L | A | 0.0000 | |
| 209 | F | A | -1.2745 | |
| 210 | Q | A | -2.1729 | |
| 211 | T | A | -1.5053 | |
| 212 | D | A | -2.4974 | |
| 213 | S | A | -2.1369 | |
| 214 | P | A | -2.1392 | |
| 215 | N | A | -3.0728 | |
| 216 | N | A | -3.3523 | |
| 217 | K | A | -3.2391 | |
| 218 | G | A | -2.8755 | |
| 219 | D | A | -3.3931 | |
| 220 | L | A | -2.2874 | |
| 221 | K | A | -1.8716 | |
| 222 | E | A | -0.9152 | |
| 223 | F | A | -0.1106 | |
| 224 | L | A | 0.0000 | |
| 225 | G | A | 0.0000 | |
| 226 | G | A | 0.0000 | |
| 227 | G | A | 0.0000 | |
| 228 | G | A | 0.0000 | |
| 229 | S | A | 0.1460 | |
| 230 | G | A | 0.0000 | |
| 231 | I | A | 0.4721 | |
| 232 | V | A | 0.3982 | |
| 233 | M | A | 0.0000 | |
| 234 | G | A | -1.5408 | |
| 235 | N | A | -1.7165 | |
| 236 | G | A | -0.8080 | |
| 237 | T | A | 0.0000 | |
| 238 | L | A | 0.0000 | |
| 239 | V | A | 0.0000 | |
| 240 | F | A | 0.0000 | |
| 241 | P | A | 0.0000 | |
| 242 | L | A | 0.0000 | |
| 243 | T | A | -0.0674 | |
| 244 | A | A | 0.0000 | |
| 245 | K | A | -1.6065 | |
| 246 | D | A | -2.5582 | |
| 247 | E | A | -3.3556 | |
| 248 | S | A | -2.3218 | |
| 249 | N | A | -2.7783 | |
| 250 | K | A | -1.7532 | |
| 251 | V | A | -0.6512 | |
| 252 | F | A | 0.1878 | |
| 253 | S | A | 0.0000 | |
| 254 | L | A | 0.0000 | |
| 255 | I | A | 0.0000 | |
| 256 | T | A | 0.0000 | |
| 257 | Y | A | -0.4144 | |
| 258 | S | A | 0.0000 | |
| 259 | T | A | -1.1425 | |
| 260 | D | A | -1.5124 | |
| 261 | D | A | -1.5345 | |
| 262 | G | A | 0.0000 | |
| 263 | Q | A | -2.5261 | |
| 264 | K | A | -2.7271 | |
| 265 | W | A | -1.6010 | |
| 266 | E | A | -1.5900 | |
| 267 | I | A | -1.0379 | |
| 268 | P | A | 0.0000 | |
| 269 | G | A | -1.5387 | |
| 270 | G | A | -0.6510 | |
| 271 | V | A | 0.5743 | |
| 272 | S | A | 0.0000 | |
| 273 | S | A | -0.0223 | |
| 274 | V | A | 0.2771 | |
| 275 | A | A | -0.7623 | |
| 276 | C | A | 0.0000 | |
| 277 | R | A | -0.8197 | |
| 278 | S | A | -0.4059 | |
| 279 | P | A | 0.0000 | |
| 280 | R | A | 0.0000 | |
| 281 | V | A | 0.0000 | |
| 282 | T | A | 0.0000 | |
| 283 | E | A | -0.9747 | |
| 284 | W | A | -1.5008 | |
| 285 | E | A | -3.0978 | |
| 286 | E | A | -3.3356 | |
| 287 | G | A | -2.4529 | |
| 288 | T | A | 0.0000 | |
| 289 | L | A | 0.0000 | |
| 290 | L | A | 0.0000 | |
| 291 | M | A | 0.0000 | |
| 292 | V | A | 0.0000 | |
| 293 | T | A | 0.0000 | |
| 294 | Y | A | -0.5703 | |
| 295 | C | A | 0.0000 | |
| 296 | E | A | -2.3623 | |
| 297 | D | A | -2.8531 | |
| 298 | G | A | 0.0000 | |
| 299 | R | A | 0.0000 | |
| 300 | K | A | -0.6499 | |
| 301 | V | A | 0.0000 | |
| 302 | F | A | 0.0000 | |
| 303 | E | A | -0.8828 | |
| 304 | S | A | 0.0000 | |
| 305 | R | A | -2.8928 | |
| 306 | D | A | -2.0015 | |
| 307 | M | A | -1.1797 | |
| 308 | G | A | 0.0000 | |
| 309 | K | A | -2.1554 | |
| 310 | T | A | -1.2833 | |
| 311 | W | A | -0.9467 | |
| 312 | T | A | -0.8383 | |
| 313 | E | A | -1.1821 | |
| 314 | A | A | -0.1838 | |
| 315 | F | A | 0.7422 | |
| 316 | G | A | 0.1810 | |
| 317 | T | A | 0.0333 | |
| 318 | L | A | 0.0000 | |
| 319 | P | A | 0.0000 | |
| 320 | G | A | 0.0000 | |
| 321 | V | A | 0.0000 | |
| 322 | W | A | 0.1775 | |
| 323 | L | A | -0.5766 | |
| 324 | K | A | -1.4469 | |
| 325 | S | A | -1.8020 | |
| 326 | G | A | -1.1235 | |
| 327 | P | A | -1.4102 | |
| 328 | E | A | -1.8948 | |
| 329 | L | A | -0.6152 | |
| 330 | P | A | -0.4970 | |
| 331 | E | A | 0.2994 | |
| 332 | V | A | 1.1149 | |
| 333 | S | A | 0.6083 | |
| 334 | L | A | 0.3223 | |
| 335 | R | A | 0.0037 | |
| 336 | V | A | 0.0000 | |
| 337 | D | A | 0.0000 | |
| 338 | A | A | 0.0000 | |
| 339 | L | A | 0.0000 | |
| 340 | I | A | 0.2917 | |
| 341 | T | A | -0.0253 | |
| 342 | A | A | 0.0000 | |
| 343 | T | A | -1.2265 | |
| 344 | I | A | 0.0000 | |
| 345 | E | A | -2.2524 | |
| 346 | G | A | -1.5892 | |
| 347 | R | A | -1.3435 | |
| 348 | K | A | -1.5084 | |
| 349 | V | A | 0.0000 | |
| 350 | M | A | 0.0000 | |
| 351 | L | A | 0.0000 | |
| 352 | Y | A | 0.0000 | |
| 353 | T | A | 0.0000 | |
| 354 | Q | A | 0.0000 | |
| 355 | K | A | 0.0000 | |
| 356 | V | A | 0.0000 | |
| 357 | R | A | -0.6325 | |
| 358 | H | A | -0.2009 | |
| 359 | F | A | 0.9166 | |
| 360 | L | A | 1.1076 | |
| 361 | E | A | -0.7243 | |
| 362 | V | A | 0.4476 | |
| 363 | D | A | -1.5412 | |
| 364 | E | A | -1.0883 | |
| 365 | P | A | -0.7761 | |
| 366 | N | A | -0.5293 | |
| 367 | A | A | 0.0000 | |
| 368 | L | A | 0.0000 | |
| 369 | H | A | 0.0000 | |
| 370 | L | A | 0.0000 | |
| 371 | W | A | 0.0000 | |
| 372 | V | A | 0.0000 | |
| 373 | T | A | 0.0000 | |
| 374 | D | A | 0.0000 | |
| 375 | N | A | -0.4083 | |
| 376 | N | A | -0.4545 | |
| 377 | R | A | 0.0000 | |
| 378 | T | A | 0.0000 | |
| 379 | F | A | 0.0000 | |
| 380 | H | A | -0.3725 | |
| 381 | L | A | -0.1860 | |
| 382 | G | A | -0.1640 | |
| 383 | P | A | 0.1280 | |
| 384 | F | A | 0.0000 | |
| 385 | S | A | 0.0000 | |
| 386 | V | A | 0.8019 | |
| 387 | D | A | 0.0000 | |
| 388 | C | A | -0.5998 | |
| 389 | A | A | -1.1342 | |
| 390 | E | A | -2.4523 | |
| 391 | N | A | -1.6293 | |
| 392 | K | A | -1.2024 | |
| 393 | T | A | 0.0000 | |
| 394 | F | A | -0.0132 | |
| 395 | A | A | 0.0815 | |
| 396 | N | A | 0.0000 | |
| 397 | T | A | 0.0000 | |
| 398 | L | A | 0.0000 | |
| 399 | L | A | 0.0484 | |
| 400 | Y | A | -0.4819 | |
| 401 | S | A | -1.3817 | |
| 402 | D | A | -2.8350 | |
| 403 | D | A | -2.5969 | |
| 404 | A | A | -1.3667 | |
| 405 | L | A | 0.0000 | |
| 406 | H | A | 0.0000 | |
| 407 | L | A | 0.0000 | |
| 408 | L | A | 0.0000 | |
| 409 | Q | A | 0.0000 | |
| 410 | A | A | 0.0000 | |
| 411 | K | A | -0.7795 | |
| 412 | G | A | 0.0000 | |
| 413 | D | A | -2.4467 | |
| 414 | H | A | -2.4665 | |
| 415 | E | A | -2.5603 | |
| 416 | S | A | -1.9303 | |
| 417 | T | A | 0.0000 | |
| 418 | A | A | -0.2864 | |
| 419 | V | A | 0.0000 | |
| 420 | S | A | 0.0000 | |
| 421 | L | A | 0.0000 | |
| 422 | A | A | 0.0000 | |
| 423 | R | A | -0.7855 | |
| 424 | L | A | 0.0000 | |
| 425 | T | A | -1.6407 | |
| 426 | E | A | -2.4677 | |
| 427 | E | A | -1.6316 | |
| 428 | L | A | -1.5211 | |
| 429 | N | A | -2.1375 | |
| 430 | T | A | -1.2979 | |
| 431 | I | A | 0.0000 | |
| 432 | N | A | -1.6610 | |
| 433 | S | A | -0.9096 | |
| 434 | V | A | -0.6321 | |
| 435 | L | A | 0.0000 | |
| 436 | S | A | -0.7317 | |
| 437 | T | A | -0.3385 | |
| 438 | W | A | 0.0000 | |
| 439 | V | A | 0.1032 | |
| 440 | Q | A | -0.7104 | |
| 441 | L | A | -0.4273 | |
| 442 | D | A | -0.4754 | |
| 443 | A | A | -0.7825 | |
| 444 | S | A | -0.9891 | |
| 445 | F | A | 0.0000 | |
| 446 | S | A | -1.3562 | |
| 447 | E | A | -2.0504 | |
| 448 | S | A | -1.3170 | |
| 449 | S | A | -1.0522 | |
| 450 | I | A | 0.0000 | |
| 451 | P | A | -0.3454 | |
| 452 | T | A | -0.1580 | |
| 453 | A | A | -0.1508 | |
| 454 | G | A | -0.3171 | |
| 455 | L | A | 0.0000 | |
| 456 | V | A | 0.0000 | |
| 457 | G | A | 0.0000 | |
| 458 | F | A | 0.0000 | |
| 459 | L | A | 0.0000 | |
| 460 | S | A | -1.1792 | |
| 461 | N | A | -1.8675 | |
| 462 | T | A | -1.5821 | |
| 463 | T | A | -1.0025 | |
| 464 | S | A | -0.8103 | |
| 465 | S | A | -1.2895 | |
| 466 | G | A | -1.6851 | |
| 467 | D | A | -2.3994 | |
| 468 | T | A | -1.3601 | |
| 469 | W | A | 0.0000 | |
| 470 | I | A | -0.7961 | |
| 471 | D | A | 0.0000 | |
| 472 | G | A | -0.6129 | |
| 473 | Y | A | 0.0000 | |
| 474 | R | A | -0.9750 | |
| 475 | C | A | -0.5558 | |
| 476 | M | A | 0.0000 | |
| 477 | N | A | -0.6846 | |
| 478 | A | A | 0.0000 | |
| 479 | T | A | -0.7075 | |
| 480 | V | A | 0.0000 | |
| 481 | T | A | -1.4756 | |
| 482 | K | A | -2.3754 | |
| 483 | A | A | -1.6677 | |
| 484 | A | A | -1.2708 | |
| 485 | K | A | -2.3765 | |
| 486 | V | A | -1.4044 | |
| 487 | E | A | -2.4234 | |
| 488 | N | A | -1.9568 | |
| 489 | G | A | 0.0000 | |
| 490 | F | A | 0.0000 | |
| 491 | K | A | -1.1906 | |
| 492 | F | A | 0.0000 | |
| 493 | T | A | -0.8262 | |
| 494 | G | A | -0.7573 | |
| 495 | P | A | -1.2280 | |
| 496 | G | A | -1.5180 | |
| 497 | S | A | 0.0000 | |
| 498 | R | A | -1.1654 | |
| 499 | A | A | 0.0000 | |
| 500 | T | A | -0.2312 | |
| 501 | W | A | 0.0000 | |
| 502 | P | A | -0.3679 | |
| 503 | V | A | 0.0000 | |
| 504 | N | A | 0.0000 | |
| 505 | S | A | 0.0000 | |
| 506 | R | A | -0.8743 | |
| 507 | W | A | 0.1205 | |
| 508 | D | A | -0.3922 | |
| 509 | I | A | -0.4262 | |
| 510 | K | A | -0.6705 | |
| 511 | Q | A | -0.4620 | |
| 512 | Y | A | 0.0000 | |
| 513 | G | A | 0.0014 | |
| 514 | F | A | 0.0000 | |
| 515 | V | A | 0.0000 | |
| 516 | D | A | 0.0000 | |
| 517 | Y | A | -0.7201 | |
| 518 | N | A | -1.1674 | |
| 519 | F | A | 0.0000 | |
| 520 | T | A | 0.0000 | |
| 521 | I | A | 0.0000 | |
| 522 | V | A | 0.0000 | |
| 523 | A | A | 0.0000 | |
| 524 | M | A | 0.0000 | |
| 525 | A | A | 0.0000 | |
| 526 | T | A | -1.3914 | |
| 527 | I | A | 0.0000 | |
| 528 | H | A | -1.4838 | |
| 529 | Q | A | -0.9886 | |
| 530 | V | A | 0.4095 | |
| 531 | P | A | -0.3740 | |
| 532 | S | A | -0.8963 | |
| 533 | E | A | -1.8268 | |
| 534 | S | A | -0.9086 | |
| 535 | T | A | 0.0000 | |
| 536 | P | A | 0.0000 | |
| 537 | L | A | 0.0000 | |
| 538 | L | A | 0.0000 | |
| 539 | G | A | 0.0000 | |
| 540 | A | A | 0.0000 | |
| 541 | S | A | 0.0000 | |
| 542 | L | A | -1.6740 | |
| 543 | R | A | -2.6006 | |
| 544 | G | A | -2.7123 | |
| 545 | N | A | -3.0106 | |
| 546 | K | A | -3.7485 | |
| 547 | R | A | -3.6931 | |
| 548 | T | A | -2.5551 | |
| 549 | K | A | -1.8468 | |
| 550 | L | A | 0.0000 | |
| 551 | I | A | 0.0000 | |
| 552 | G | A | 0.0000 | |
| 553 | L | A | 0.0000 | |
| 554 | S | A | 0.0000 | |
| 555 | Y | A | 0.0000 | |
| 556 | G | A | 0.0000 | |
| 557 | A | A | -0.5658 | |
| 558 | G | A | -0.4680 | |
| 559 | G | A | -0.6492 | |
| 560 | K | A | -0.8309 | |
| 561 | W | A | 0.0000 | |
| 562 | E | A | 0.0000 | |
| 563 | T | A | 0.0000 | |
| 564 | V | A | 0.0000 | |
| 565 | Y | A | -0.8619 | |
| 566 | D | A | -2.0999 | |
| 567 | G | A | -1.9156 | |
| 568 | T | A | -1.3104 | |
| 569 | K | A | -0.8384 | |
| 570 | T | A | 0.2335 | |
| 571 | V | A | 1.0255 | |
| 572 | Q | A | -0.2398 | |
| 573 | G | A | -0.7142 | |
| 574 | G | A | -0.5032 | |
| 575 | T | A | -1.0511 | |
| 576 | W | A | 0.0000 | |
| 577 | E | A | -2.1448 | |
| 578 | P | A | -1.6953 | |
| 579 | G | A | -1.9405 | |
| 580 | R | A | -2.1514 | |
| 581 | E | A | -1.9626 | |
| 582 | Y | A | 0.0000 | |
| 583 | Q | A | 0.0000 | |
| 584 | V | A | 0.0000 | |
| 585 | A | A | 0.0000 | |
| 586 | L | A | 0.0000 | |
| 587 | M | A | 0.0000 | |
| 588 | L | A | 0.0000 | |
| 589 | Q | A | -1.6451 | |
| 590 | D | A | -2.3338 | |
| 591 | G | A | 0.0000 | |
| 592 | N | A | -0.8906 | |
| 593 | K | A | -0.9807 | |
| 594 | G | A | 0.0000 | |
| 595 | F | A | -0.0389 | |
| 596 | V | A | 0.0000 | |
| 597 | Y | A | 1.0678 | |
| 598 | V | A | 0.0000 | |
| 599 | D | A | 0.2147 | |
| 600 | G | A | 0.0000 | |
| 601 | V | A | 2.0716 | |
| 602 | L | A | 1.2045 | |
| 603 | V | A | 0.0000 | |
| 604 | G | A | -0.4603 | |
| 605 | N | A | -1.2402 | |
| 606 | P | A | -0.4621 | |
| 607 | A | A | -0.2311 | |
| 608 | M | A | 0.3902 | |
| 609 | L | A | 0.0000 | |
| 610 | P | A | -1.0702 | |
| 611 | T | A | -1.4395 | |
| 612 | P | A | -1.4733 | |
| 613 | E | A | -2.4151 | |
| 614 | E | A | -2.4672 | |
| 615 | R | A | -1.1055 | |
| 616 | W | A | -0.3436 | |
| 617 | T | A | -0.7931 | |
| 618 | E | A | -0.7594 | |
| 619 | F | A | 0.0000 | |
| 620 | S | A | 0.0000 | |
| 621 | H | A | -0.5008 | |
| 622 | F | A | 0.0000 | |
| 623 | Y | A | 0.0000 | |
| 624 | F | A | 0.0000 | |
| 625 | G | A | 0.0000 | |
| 626 | G | A | 0.0000 | |
| 627 | D | A | 0.0000 | |
| 628 | E | A | -2.7112 | |
| 629 | G | A | -1.6967 | |
| 630 | D | A | -1.6285 | |
| 631 | S | A | -1.2236 | |
| 632 | G | A | -0.9179 | |
| 633 | S | A | 0.0000 | |
| 634 | D | A | -0.6534 | |
| 635 | A | A | 0.0000 | |
| 636 | T | A | -0.8371 | |
| 637 | L | A | 0.0000 | |
| 638 | T | A | -0.7766 | |
| 639 | D | A | -0.7892 | |
| 640 | V | A | 0.0000 | |
| 641 | F | A | 0.0000 | |
| 642 | L | A | 0.0000 | |
| 643 | Y | A | 0.0000 | |
| 644 | N | A | -0.6691 | |
| 645 | R | A | -1.0138 | |
| 646 | P | A | -0.6307 | |
| 647 | L | A | 0.0000 | |
| 648 | S | A | 0.1627 | |
| 649 | V | A | 1.2921 | |
| 650 | G | A | -0.0965 | |
| 651 | E | A | -0.4407 | |
| 652 | L | A | 0.0000 | |
| 653 | K | A | -0.9181 | |
| 654 | M | A | -0.8511 | |
| 655 | I | A | 0.0000 | |
| 656 | K | A | -1.9354 | |
| 657 | E | A | -3.0186 | |
| 658 | V | A | 0.0000 | |
| 659 | E | A | -3.0405 | |
| 660 | D | A | -3.8657 | |
| 661 | K | A | -4.7177 | |
| 662 | K | A | -4.6902 | |
| 663 | E | A | -4.5420 | |
| 664 | K | A | -4.5480 | |
| 665 | G | A | -3.6187 | |
| 666 | S | A | -2.9408 | |
| 667 | G | A | -2.8647 | |
| 668 | D | A | -3.2135 | |
| 669 | S | A | -2.7766 | |
| 670 | E | A | -4.0010 | |
| 671 | D | A | -4.4614 | |
| 672 | K | A | -4.3223 | |
| 673 | K | A | -4.2388 | |
| 674 | E | A | -3.4757 | |
| 675 | S | A | -2.3246 | |
| 676 | G | A | -2.0364 | |
| 677 | D | A | -2.5396 | |
| 678 | S | A | -2.4747 | |
| 679 | E | A | -3.4976 | |
| 680 | D | A | -3.8920 | |
| 681 | K | A | -4.1486 | |
| 682 | K | A | -3.8181 | |
| 683 | E | A | -3.1772 | |
| 684 | S | A | -2.1052 | |
| 685 | G | A | -1.9238 | |
| 686 | D | A | -2.5322 | |
| 687 | S | A | -2.4433 | |
| 688 | E | A | -3.6451 | |
| 689 | D | A | -4.0047 | |
| 690 | K | A | -3.8928 | |
| 691 | K | A | -3.1942 | |
| 692 | G | A | -1.8370 | |
| 693 | S | A | -1.4616 | |
| 694 | G | A | -1.5723 | |
| 695 | D | A | -2.5478 | |
| 696 | S | A | -2.4652 | |
| 697 | E | A | -3.6227 | |
| 698 | D | A | -3.9721 | |
| 699 | K | A | -4.2675 | |
| 700 | K | A | -3.9143 | |
| 701 | E | A | -3.3922 | |
| 702 | S | A | -2.1460 | |
| 703 | G | A | -1.9581 | |
| 704 | D | A | -2.7033 | |
| 705 | S | A | -2.3936 | |
| 706 | E | A | -3.5090 | |
| 707 | D | A | -3.8782 | |
| 708 | K | A | -4.1849 | |
| 709 | K | A | -3.9128 | |
| 710 | E | A | -3.3235 | |
| 711 | S | A | -2.0444 | |
| 712 | G | A | -1.8683 | |
| 713 | D | A | -2.5117 | |
| 714 | S | A | -2.3951 | |
| 715 | E | A | -3.4831 | |
| 716 | D | A | -3.8730 | |
| 717 | K | A | -3.8083 | |
| 718 | K | A | -3.1563 | |
| 719 | G | A | -1.8365 | |
| 720 | S | A | -1.4531 | |
| 721 | G | A | -1.6279 | |
| 722 | D | A | -2.2688 | |
| 723 | G | A | -0.9657 | |
| 724 | A | A | 0.4897 | |
| 725 | F | A | 1.7861 | |
| 726 | T | A | 0.7772 | |
| 727 | P | A | 0.5294 | |
| 728 | A | A | 0.8027 | |
| 729 | V | A | 1.3734 | |
| 730 | S | A | -0.0670 | |
| 731 | N | A | -1.0012 | |
| 732 | A | A | -0.6648 | |
| 733 | T | A | -0.6263 | |
| 734 | T | A | -0.7361 | |
| 735 | H | A | -1.0628 | |
| 736 | T | A | -1.1389 | |
| 737 | A | A | -1.8425 | |
| 738 | E | A | -3.0663 | |
| 739 | E | A | -3.5936 | |
| 740 | E | A | -2.7736 | |
| 741 | T | A | -0.7575 | |
| 742 | V | A | 0.4968 | |
| 743 | N | A | -1.1064 | |
| 744 | Q | A | -1.5773 | |
| 745 | S | A | -1.0725 | |
| 746 | A | A | -0.5225 | |
| 747 | S | A | -0.4684 | |
| 748 | G | A | -0.1511 | |
| 749 | T | A | 0.5774 | |
| 750 | F | A | 2.0869 | |
| 751 | S | A | 1.6644 | |
| 752 | I | A | 1.8775 | |
| 753 | T | A | -0.1888 | |
| 754 | D | A | -1.5259 | |
| 755 | S | A | -1.5008 | |
| 756 | T | A | -1.6405 | |
| 757 | E | A | -2.5108 | |
| 758 | G | A | -1.9269 | |
| 759 | D | A | -1.4746 | |
| 760 | V | A | 0.5545 | |
| 761 | S | A | -0.1345 | |
| 762 | S | A | -1.1871 | |
| 763 | D | A | -3.2068 | |
| 764 | E | A | -3.5563 | |
| 765 | N | A | -3.1434 | |
| 766 | G | A | -2.4611 | |
| 767 | E | A | -2.3641 | |
| 768 | T | A | -1.2583 | |
| 769 | T | A | -0.8185 | |
| 770 | G | A | -0.7685 | |
| 771 | G | A | -1.0883 | |
| 772 | A | A | -1.3417 | |
| 773 | D | A | -2.3119 | |
| 774 | G | A | -2.3694 | |
| 775 | Q | A | -3.1896 | |
| 776 | E | A | -3.8191 | |
| 777 | E | A | -3.4856 | |
| 778 | D | A | -2.4332 | |
| 779 | I | A | 0.1670 | |
| 780 | Q | A | -0.9634 | |
| 781 | P | A | -1.4223 | |
| 782 | Q | A | -2.8735 | |
| 783 | D | A | -3.1544 | |
| 784 | G | A | -2.6154 | |
| 785 | E | A | -2.8246 | |
| 786 | A | A | -1.5230 | |
| 787 | N | A | -1.5504 | |
| 788 | A | A | -0.6114 | |
| 789 | A | A | 0.1574 | |
| 790 | A | A | 0.9087 | |
| 791 | L | A | 1.6912 | |
| 792 | G | A | 1.2247 | |
| 793 | L | A | 1.8552 | |
| 794 | A | A | 1.1611 | |
| 795 | L | A | 0.9980 | |
| 796 | K | A | -0.7485 | |
| 797 | S | A | -0.5057 | |
| 798 | S | A | 0.0759 | |
| 799 | L | A | 0.9632 | |
| 800 | G | A | 0.1723 | |
| 801 | T | A | -0.1738 | |
| 802 | S | A | -0.6265 | |
| 803 | S | A | -1.1633 | |
| 804 | Q | A | -1.8567 | |
| 805 | W | A | -1.0793 | |
| 806 | D | A | -1.7563 | |
| 807 | G | A | -0.9576 | |
| 808 | S | A | -0.3179 | |
| 809 | V | A | 1.0058 | |
| 810 | A | A | 0.6932 | |
| 811 | G | A | 0.0545 | |
| 812 | T | A | -0.2249 | |
| 813 | M | A | -0.5078 | |
| 814 | R | A | -2.5263 | |
| 815 | E | A | -2.8114 | |
| 816 | S | A | -1.7157 | |
| 817 | R | A | -1.1948 | |
| 818 | V | A | 1.7025 | |
| 819 | L | A | 2.6079 | |
| 820 | L | A | 2.1242 | |
| 821 | P | A | 0.5219 | |
| 822 | S | A | -0.0087 | |
| 823 | D | A | -0.2492 | mutated: LD823A |
| 824 | F | A | 2.4673 | |
| 825 | L | A | 3.0056 | |
| 826 | L | A | 3.2297 | |
| 827 | L | A | 2.9331 | |
| 828 | G | A | 1.9619 | |
| 829 | L | A | 2.1712 | |
| 830 | W | A | 2.0541 | |
| 831 | G | A | 1.5348 | |
| 832 | F | A | 2.2173 | |
| 833 | A | A | 1.2769 | |
| 834 | A | A | 1.3985 | |
| 835 | L | A | 1.8420 |
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 | -0.4429 | 5.771 | View | CSV | PDB |
| 4.5 | -0.5268 | 5.6838 | View | CSV | PDB |
| 5.0 | -0.6336 | 5.6838 | View | CSV | PDB |
| 5.5 | -0.7447 | 5.6838 | View | CSV | PDB |
| 6.0 | -0.841 | 5.6838 | View | CSV | PDB |
| 6.5 | -0.9081 | 5.6838 | View | CSV | PDB |
| 7.0 | -0.942 | 5.6838 | View | CSV | PDB |
| 7.5 | -0.9508 | 5.6838 | View | CSV | PDB |
| 8.0 | -0.9449 | 5.6838 | View | CSV | PDB |
| 8.5 | -0.9287 | 5.6838 | View | CSV | PDB |
| 9.0 | -0.902 | 5.6838 | 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