| Chain sequence(s) |
A: MGHSVAWLLLVAAASTLAAEVPTDVSMGLLAEPQVAMFCGKINMHINVQSGKWEPDPSGTKSCIGTKEGILQYCQEVYPELQITNVVEANQPVSIQNWCKKGRKQCRSHMHIVVPYRCLVGEFVSDALLVPDKCKFLHQERMNQCESHLHWHTVAKESCGDRAMNLHDYGMLLPCGIDRFRGVEFVCCPAEAERDMDSTEKDADDSDVWWGGADNDYSDNSMVREPEPAEQQEETRPSVVEEEEEGEVAQEDDEEEEEVLDTDQDGDGEEDHEAADDEEEEEDVDEIDAFGESDDVDADEPTTNVAMTTTTTTTTTESVEEVVRMFCWAHADTGPCTASMPSWYFDAVDGRTMYELMYGGCGGNMNNFESEEYCLSVCSSVVPTDMPSSPDAVDHYLETPADENEHAHFQKAKESLEAKHRERMSQVMREWEEAERQAKNLPRADKKIVIQRFQEKVEALEQEAASERQQLVETHMARVEALLNDRRRLALENYLTALQQDPPRPRHVFSLLKKYVRAEQKDRQHTLKHFEHVRMVDPKKAAQIRPQVLTHLRVIEERMNQSLGLLYKVPGVADDIQDQVELLQREQAEMAQQLANLQTDVRVSYGNDALMPDQELGDGQADLLPQEDTLGGVGFVHPESFNQLNTENQVEPVDSRPTFERGVPTRPVTGKSMEAVPELRMETEDRQSTEYEVHHQKLVFFAEDVGSNKGAIIGLMVGGVVIATVIVITLVMLRKKQYTSIHHGIIEVDAAVTPEERHLSKMQQNGYENPTYKFFEQMQN
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. (00:00:06)
[INFO] FoldX: Starting FoldX energy minimization (00:00:06)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:20:49)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/1495956d59c411e/tmp/folded.pdb (00:20:49)
[INFO] Main: Simulation completed successfully. (00:32:01)
|
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 | 0.5423 | |
| 2 | G | A | -0.3801 | |
| 3 | H | A | -0.7149 | |
| 4 | S | A | 0.1929 | |
| 5 | V | A | 1.9258 | |
| 6 | A | A | 1.7569 | |
| 7 | W | A | 2.8948 | |
| 8 | L | A | 3.4181 | |
| 9 | L | A | 3.7375 | |
| 10 | L | A | 3.6568 | |
| 11 | V | A | 2.9534 | |
| 12 | A | A | 1.2338 | |
| 13 | A | A | 0.5893 | |
| 14 | A | A | 0.1633 | |
| 15 | S | A | 0.1292 | |
| 16 | T | A | 0.5845 | |
| 17 | L | A | 1.3164 | |
| 18 | A | A | 0.4360 | |
| 19 | A | A | -0.0662 | |
| 20 | E | A | -0.8249 | |
| 21 | V | A | 0.5695 | |
| 22 | P | A | -0.4310 | |
| 23 | T | A | -0.6765 | |
| 24 | D | A | -1.4090 | |
| 25 | V | A | -0.8156 | |
| 26 | S | A | -0.0640 | |
| 27 | M | A | 0.7177 | |
| 28 | G | A | 0.1668 | |
| 29 | L | A | 0.6812 | |
| 30 | L | A | 1.1398 | |
| 31 | A | A | -0.1331 | |
| 32 | E | A | -0.4716 | |
| 33 | P | A | 0.0000 | |
| 34 | Q | A | -0.3415 | |
| 35 | V | A | 0.0000 | |
| 36 | A | A | 0.0000 | |
| 37 | M | A | 0.7072 | |
| 38 | F | A | 1.3866 | |
| 39 | C | A | 0.7325 | |
| 40 | G | A | -0.4134 | |
| 41 | K | A | -1.0490 | |
| 42 | I | A | 0.0000 | |
| 43 | N | A | 0.0000 | |
| 44 | M | A | 0.0000 | |
| 45 | H | A | 0.0000 | |
| 46 | I | A | -1.0599 | |
| 47 | N | A | -1.1919 | |
| 48 | V | A | -0.5715 | |
| 49 | Q | A | -1.1214 | |
| 50 | S | A | -1.0058 | |
| 51 | G | A | -1.1867 | |
| 52 | K | A | -2.1698 | |
| 53 | W | A | -1.4551 | |
| 54 | E | A | -1.6842 | |
| 55 | P | A | -0.8710 | |
| 56 | D | A | 0.0000 | |
| 57 | P | A | -0.7901 | |
| 58 | S | A | -0.7106 | |
| 59 | G | A | -1.6060 | |
| 60 | T | A | -1.1837 | |
| 61 | K | A | -0.9336 | |
| 62 | S | A | -0.3610 | |
| 63 | C | A | 0.5952 | |
| 64 | I | A | -0.0447 | |
| 65 | G | A | -0.5164 | |
| 66 | T | A | -1.0355 | |
| 67 | K | A | -1.5508 | |
| 68 | E | A | -2.2883 | |
| 69 | G | A | -1.5830 | |
| 70 | I | A | 0.0000 | |
| 71 | L | A | -1.4372 | |
| 72 | Q | A | -2.2599 | |
| 73 | Y | A | 0.0000 | |
| 74 | C | A | 0.0000 | |
| 75 | Q | A | -2.2540 | |
| 76 | E | A | -2.0806 | |
| 77 | V | A | -1.1840 | |
| 78 | Y | A | 0.0000 | |
| 79 | P | A | -1.8705 | |
| 80 | E | A | -2.3954 | |
| 81 | L | A | 0.0000 | |
| 82 | Q | A | -1.8692 | |
| 83 | I | A | 0.0000 | |
| 84 | T | A | -0.7350 | |
| 85 | N | A | -0.8273 | |
| 86 | V | A | 0.0000 | |
| 87 | V | A | 0.0000 | |
| 88 | E | A | -0.4082 | |
| 89 | A | A | 0.0000 | |
| 90 | N | A | -1.0764 | |
| 91 | Q | A | -1.3823 | |
| 92 | P | A | -0.0684 | |
| 93 | V | A | 0.6073 | |
| 94 | S | A | 0.6961 | |
| 95 | I | A | 0.0000 | |
| 96 | Q | A | -1.8763 | |
| 97 | N | A | -2.8665 | |
| 98 | W | A | 0.0000 | |
| 99 | C | A | 0.0000 | |
| 100 | K | A | -3.4260 | |
| 101 | K | A | -3.2667 | |
| 102 | G | A | -2.9765 | |
| 103 | R | A | -4.2531 | |
| 104 | K | A | -3.8637 | |
| 105 | Q | A | -3.4337 | |
| 106 | C | A | -3.2481 | |
| 107 | R | A | -3.4194 | |
| 108 | S | A | -2.2363 | |
| 109 | H | A | -1.6569 | |
| 110 | M | A | -0.3644 | |
| 111 | H | A | 0.5810 | |
| 112 | I | A | 2.1284 | |
| 113 | V | A | 0.0000 | |
| 114 | V | A | 0.7390 | |
| 115 | P | A | 0.0000 | |
| 116 | Y | A | -0.0663 | |
| 117 | R | A | -0.3546 | |
| 118 | C | A | 0.0000 | |
| 119 | L | A | -0.0146 | |
| 120 | V | A | -0.2301 | |
| 121 | G | A | -0.9998 | |
| 122 | E | A | -1.2979 | |
| 123 | F | A | 0.5448 | |
| 124 | V | A | 1.5520 | |
| 125 | S | A | 0.5798 | |
| 126 | D | A | -0.0968 | |
| 127 | A | A | 0.6868 | |
| 128 | L | A | 0.7938 | |
| 129 | L | A | 1.7293 | |
| 130 | V | A | 0.7828 | |
| 131 | P | A | -0.5613 | |
| 132 | D | A | -2.4195 | |
| 133 | K | A | -2.6936 | |
| 134 | C | A | -1.6500 | |
| 135 | K | A | -1.5755 | |
| 136 | F | A | 0.0479 | |
| 137 | L | A | -0.4961 | |
| 138 | H | A | -1.3775 | |
| 139 | Q | A | -1.8038 | |
| 140 | E | A | -2.5198 | |
| 141 | R | A | -1.8331 | |
| 142 | M | A | -0.5325 | |
| 143 | N | A | -1.5259 | |
| 144 | Q | A | -1.5073 | |
| 145 | C | A | -1.1043 | |
| 146 | E | A | -1.0126 | |
| 147 | S | A | 0.0000 | |
| 148 | H | A | 0.0000 | |
| 149 | L | A | 0.8796 | |
| 150 | H | A | -0.2516 | |
| 151 | W | A | 0.0000 | |
| 152 | H | A | -0.6876 | |
| 153 | T | A | -0.8872 | |
| 154 | V | A | -1.0603 | |
| 155 | A | A | 0.0000 | |
| 156 | K | A | -3.3745 | |
| 157 | E | A | -3.5183 | |
| 158 | S | A | -2.6722 | |
| 159 | C | A | 0.0000 | |
| 160 | G | A | -3.0643 | |
| 161 | D | A | -3.4704 | |
| 162 | R | A | -2.6917 | |
| 163 | A | A | -1.7902 | |
| 164 | M | A | -2.3949 | |
| 165 | N | A | -2.6823 | |
| 166 | L | A | -2.1158 | |
| 167 | H | A | -1.4631 | |
| 168 | D | A | -1.1598 | |
| 169 | Y | A | 0.0000 | |
| 170 | G | A | 0.0000 | |
| 171 | M | A | 0.0000 | |
| 172 | L | A | -0.0451 | |
| 173 | L | A | 0.8558 | |
| 174 | P | A | 0.1828 | |
| 175 | C | A | 0.0534 | |
| 176 | G | A | -0.4397 | |
| 177 | I | A | -0.4037 | |
| 178 | D | A | 0.0000 | |
| 179 | R | A | -0.9043 | |
| 180 | F | A | 0.0000 | |
| 181 | R | A | -1.2565 | |
| 182 | G | A | 0.0000 | |
| 183 | V | A | 0.0000 | |
| 184 | E | A | -0.9869 | |
| 185 | F | A | 0.0000 | |
| 186 | V | A | 0.0000 | |
| 187 | C | A | 0.0000 | |
| 188 | C | A | -1.7432 | |
| 189 | P | A | -2.0784 | |
| 190 | A | A | -1.8721 | |
| 191 | E | A | -3.2134 | |
| 192 | A | A | -2.4496 | |
| 193 | E | A | -3.3849 | |
| 194 | R | A | -4.2755 | |
| 195 | D | A | -3.9479 | |
| 196 | M | A | -2.1189 | |
| 197 | D | A | -3.2472 | |
| 198 | S | A | -3.4718 | |
| 199 | T | A | -2.7221 | |
| 200 | E | A | -3.2374 | |
| 201 | K | A | -4.4200 | |
| 202 | D | A | -4.8766 | |
| 203 | A | A | -3.1888 | |
| 204 | D | A | -3.7398 | |
| 205 | D | A | -3.6788 | |
| 206 | S | A | -2.1378 | |
| 207 | D | A | -1.9141 | |
| 208 | V | A | 0.4032 | |
| 209 | W | A | 0.1792 | |
| 210 | W | A | 0.0000 | |
| 211 | G | A | -0.8241 | |
| 212 | G | A | -1.0580 | |
| 213 | A | A | -1.5663 | |
| 214 | D | A | -2.8667 | |
| 215 | N | A | -2.7354 | |
| 216 | D | A | -2.6309 | |
| 217 | Y | A | -1.0032 | |
| 218 | S | A | -1.7659 | |
| 219 | D | A | -2.2523 | |
| 220 | N | A | -1.7123 | |
| 221 | S | A | -0.6959 | |
| 222 | M | A | 0.3501 | |
| 223 | V | A | 0.6487 | |
| 224 | R | A | -2.0240 | |
| 225 | E | A | -2.7354 | |
| 226 | P | A | -2.3012 | |
| 227 | E | A | -2.7383 | |
| 228 | P | A | -1.7418 | |
| 229 | A | A | -1.7680 | |
| 230 | E | A | -2.6931 | |
| 231 | Q | A | -3.1160 | |
| 232 | Q | A | -3.5137 | |
| 233 | E | A | -3.6268 | |
| 234 | E | A | -3.5173 | |
| 235 | T | A | -2.3505 | |
| 236 | R | A | -2.4470 | |
| 237 | P | A | -0.8973 | |
| 238 | S | A | 0.5144 | |
| 239 | V | A | 1.9406 | |
| 240 | V | A | 1.2969 | |
| 241 | E | A | -1.8307 | |
| 242 | E | A | -3.4602 | |
| 243 | E | A | -4.4203 | |
| 244 | E | A | -4.1333 | |
| 245 | E | A | -3.6792 | |
| 246 | G | A | -2.3815 | |
| 247 | E | A | -1.6368 | |
| 248 | V | A | 0.6010 | |
| 249 | A | A | -0.4917 | |
| 250 | Q | A | -2.1485 | |
| 251 | E | A | -3.7104 | |
| 252 | D | A | -4.1936 | |
| 253 | D | A | -4.3185 | |
| 254 | E | A | -4.3406 | |
| 255 | E | A | -4.3213 | |
| 256 | E | A | -4.3678 | |
| 257 | E | A | -3.3585 | |
| 258 | E | A | -1.8657 | |
| 259 | V | A | 0.7837 | |
| 260 | L | A | 0.8827 | |
| 261 | D | A | -1.0832 | |
| 262 | T | A | -1.7290 | |
| 263 | D | A | -3.2004 | |
| 264 | Q | A | -3.0838 | |
| 265 | D | A | -3.4345 | |
| 266 | G | A | -2.5467 | |
| 267 | D | A | -3.0535 | |
| 268 | G | A | -2.8988 | |
| 269 | E | A | -3.7069 | |
| 270 | E | A | -3.9872 | |
| 271 | D | A | -4.1245 | |
| 272 | H | A | -3.1162 | |
| 273 | E | A | -2.6493 | |
| 274 | A | A | -1.3851 | |
| 275 | A | A | -1.4891 | |
| 276 | D | A | -3.2094 | |
| 277 | D | A | -4.0409 | |
| 278 | E | A | -4.4786 | |
| 279 | E | A | -4.5465 | |
| 280 | E | A | -4.3460 | |
| 281 | E | A | -4.4109 | |
| 282 | E | A | -3.5435 | |
| 283 | D | A | -2.8839 | |
| 284 | V | A | -0.5502 | |
| 285 | D | A | -1.7894 | |
| 286 | E | A | -1.9955 | |
| 287 | I | A | 0.0394 | |
| 288 | D | A | -0.9152 | |
| 289 | A | A | 0.3995 | |
| 290 | F | A | 0.9334 | |
| 291 | G | A | -0.4310 | |
| 292 | E | A | -2.0996 | |
| 293 | S | A | -2.3834 | |
| 294 | D | A | -2.9116 | |
| 295 | D | A | -2.3756 | |
| 296 | V | A | -0.4587 | |
| 297 | D | A | -1.5215 | |
| 298 | A | A | -1.6508 | |
| 299 | D | A | -3.0547 | |
| 300 | E | A | -2.8043 | |
| 301 | P | A | -1.5329 | |
| 302 | T | A | -0.7234 | |
| 303 | T | A | -0.3286 | |
| 304 | N | A | -0.3537 | |
| 305 | V | A | 1.3721 | |
| 306 | A | A | 1.1112 | |
| 307 | M | A | 1.2530 | |
| 308 | T | A | 0.5876 | |
| 309 | T | A | 0.1012 | |
| 310 | T | A | -0.0560 | |
| 311 | T | A | -0.1858 | |
| 312 | T | A | -0.1830 | |
| 313 | T | A | -0.1831 | |
| 314 | T | A | -0.4523 | |
| 315 | T | A | -0.4902 | |
| 316 | T | A | -1.0738 | |
| 317 | E | A | -2.1909 | |
| 318 | S | A | -0.9563 | |
| 319 | V | A | -0.0018 | |
| 320 | E | A | -2.0853 | |
| 321 | E | A | -2.0216 | |
| 322 | V | A | 0.4392 | |
| 323 | V | A | 0.3474 | |
| 324 | R | A | -0.6760 | |
| 325 | M | A | 0.6191 | |
| 326 | F | A | 0.7941 | |
| 327 | C | A | 0.0000 | |
| 328 | W | A | 0.9257 | |
| 329 | A | A | -0.0967 | |
| 330 | H | A | -1.0620 | |
| 331 | A | A | -0.9665 | |
| 332 | D | A | -1.4043 | |
| 333 | T | A | -0.5278 | |
| 334 | G | A | -0.6822 | |
| 335 | P | A | -0.4007 | |
| 336 | C | A | 0.0412 | |
| 337 | T | A | 0.1358 | |
| 338 | A | A | 0.1830 | |
| 339 | S | A | 0.2724 | |
| 340 | M | A | 0.4135 | |
| 341 | P | A | -0.4726 | |
| 342 | S | A | 0.0000 | |
| 343 | W | A | -1.0333 | |
| 344 | Y | A | -0.3891 | |
| 345 | F | A | 0.0000 | |
| 346 | D | A | -0.5272 | |
| 347 | A | A | -0.1296 | |
| 348 | V | A | 0.6320 | |
| 349 | D | A | -1.5560 | |
| 350 | G | A | 0.0000 | |
| 351 | R | A | -2.0894 | |
| 352 | T | A | -1.1221 | |
| 353 | M | A | -0.9855 | |
| 354 | Y | A | -0.3107 | |
| 355 | E | A | -1.4588 | |
| 356 | L | A | 0.0000 | |
| 357 | M | A | 0.2796 | |
| 358 | Y | A | -0.1570 | |
| 359 | G | A | 0.0000 | |
| 360 | G | A | -0.0251 | |
| 361 | C | A | -0.1546 | |
| 362 | G | A | -0.7102 | |
| 363 | G | A | -1.0486 | |
| 364 | N | A | -0.6871 | |
| 365 | M | A | 0.6513 | |
| 366 | N | A | 0.0000 | |
| 367 | N | A | -0.7179 | |
| 368 | F | A | 0.0000 | |
| 369 | E | A | -2.0165 | |
| 370 | S | A | -1.7924 | |
| 371 | E | A | -1.8373 | |
| 372 | E | A | -1.8696 | |
| 373 | Y | A | -0.4944 | |
| 374 | C | A | 0.0000 | |
| 375 | L | A | -0.3763 | |
| 376 | S | A | -0.1857 | |
| 377 | V | A | 0.4401 | |
| 378 | C | A | 0.0000 | |
| 379 | S | A | -0.2829 | |
| 380 | S | A | -0.3994 | |
| 381 | V | A | -0.7008 | |
| 382 | V | A | -0.7419 | |
| 383 | P | A | -0.6207 | |
| 384 | T | A | -0.7679 | |
| 385 | D | A | -1.5030 | |
| 386 | M | A | -0.1547 | |
| 387 | P | A | -0.5903 | |
| 388 | S | A | -0.6027 | |
| 389 | S | A | -0.6897 | |
| 390 | P | A | -1.1464 | |
| 391 | D | A | -1.1991 | |
| 392 | A | A | -1.7531 | |
| 393 | V | A | -1.8244 | |
| 394 | D | A | -2.0816 | |
| 395 | H | A | -2.2180 | |
| 396 | Y | A | 0.0000 | |
| 397 | L | A | -1.2229 | |
| 398 | E | A | -2.2271 | |
| 399 | T | A | -1.4615 | |
| 400 | P | A | -0.8992 | |
| 401 | A | A | -1.2547 | |
| 402 | D | A | -2.1065 | |
| 403 | E | A | -2.7538 | |
| 404 | N | A | -2.4242 | |
| 405 | E | A | 0.0000 | |
| 406 | H | A | -1.8616 | |
| 407 | A | A | -1.7189 | |
| 408 | H | A | -2.0302 | |
| 409 | F | A | 0.0000 | |
| 410 | Q | A | -2.1497 | |
| 411 | K | A | -2.9343 | |
| 412 | A | A | 0.0000 | |
| 413 | K | A | 0.0000 | |
| 414 | E | A | -3.0783 | |
| 415 | S | A | -2.2648 | |
| 416 | L | A | 0.0000 | |
| 417 | E | A | -3.2403 | |
| 418 | A | A | -2.6913 | |
| 419 | K | A | -2.8777 | |
| 420 | H | A | -3.3442 | |
| 421 | R | A | -3.6201 | |
| 422 | E | A | -3.6121 | |
| 423 | R | A | -2.4280 | |
| 424 | M | A | -2.4405 | |
| 425 | S | A | -2.4718 | |
| 426 | Q | A | -2.9307 | |
| 427 | V | A | 0.0000 | |
| 428 | M | A | -2.0773 | |
| 429 | R | A | -3.8071 | |
| 430 | E | A | -3.9209 | |
| 431 | W | A | -3.3976 | |
| 432 | E | A | -4.2160 | |
| 433 | E | A | -4.6901 | |
| 434 | A | A | -3.5551 | |
| 435 | E | A | -4.3434 | |
| 436 | R | A | -4.6806 | |
| 437 | Q | A | -3.7507 | |
| 438 | A | A | 0.0000 | |
| 439 | K | A | -3.6742 | |
| 440 | N | A | -2.9200 | |
| 441 | L | A | -1.9616 | |
| 442 | P | A | -2.0127 | |
| 443 | R | A | -2.7560 | |
| 444 | A | A | -1.4884 | |
| 445 | D | A | -1.6902 | |
| 446 | K | A | -2.2618 | |
| 447 | K | A | -1.6564 | |
| 448 | I | A | -0.1860 | |
| 449 | V | A | -0.5899 | |
| 450 | I | A | -1.0907 | |
| 451 | Q | A | -1.8973 | |
| 452 | R | A | -2.6347 | |
| 453 | F | A | -2.1269 | |
| 454 | Q | A | -2.6908 | |
| 455 | E | A | -3.2898 | |
| 456 | K | A | -3.1325 | |
| 457 | V | A | -2.8381 | |
| 458 | E | A | -3.9599 | |
| 459 | A | A | -2.9359 | |
| 460 | L | A | 0.0000 | |
| 461 | E | A | -3.5635 | |
| 462 | Q | A | -3.4852 | |
| 463 | E | A | -3.1893 | |
| 464 | A | A | 0.0000 | |
| 465 | A | A | -2.1907 | |
| 466 | S | A | -2.2290 | |
| 467 | E | A | -2.0906 | |
| 468 | R | A | -2.4898 | |
| 469 | Q | A | -2.5656 | |
| 470 | Q | A | -2.4067 | |
| 471 | L | A | 0.0000 | |
| 472 | V | A | 0.0000 | |
| 473 | E | A | -2.4906 | |
| 474 | T | A | -1.2445 | |
| 475 | H | A | 0.0000 | |
| 476 | M | A | -0.7720 | |
| 477 | A | A | -0.6157 | |
| 478 | R | A | -0.7369 | |
| 479 | V | A | 0.0000 | |
| 480 | E | A | -1.0292 | |
| 481 | A | A | -0.9145 | |
| 482 | L | A | -1.2968 | |
| 483 | L | A | -1.3520 | |
| 484 | N | A | -1.7074 | |
| 485 | D | A | -2.0631 | |
| 486 | R | A | -2.8290 | |
| 487 | R | A | -2.6506 | |
| 488 | R | A | -2.5467 | |
| 489 | L | A | -1.6638 | |
| 490 | A | A | 0.0000 | |
| 491 | L | A | -1.4675 | |
| 492 | E | A | -2.0153 | |
| 493 | N | A | -1.7194 | |
| 494 | Y | A | 0.0000 | |
| 495 | L | A | -0.5084 | |
| 496 | T | A | -1.0161 | |
| 497 | A | A | 0.0000 | |
| 498 | L | A | -1.1857 | |
| 499 | Q | A | -1.8901 | |
| 500 | Q | A | -2.0390 | |
| 501 | D | A | -2.6159 | |
| 502 | P | A | -2.0077 | |
| 503 | P | A | -2.1920 | |
| 504 | R | A | -2.9162 | |
| 505 | P | A | -2.4381 | |
| 506 | R | A | -2.6932 | |
| 507 | H | A | -1.6556 | |
| 508 | V | A | 0.0000 | |
| 509 | F | A | -1.4752 | |
| 510 | S | A | -1.1099 | |
| 511 | L | A | -1.3026 | |
| 512 | L | A | 0.0000 | |
| 513 | K | A | -1.8200 | |
| 514 | K | A | -2.4160 | |
| 515 | Y | A | 0.0000 | |
| 516 | V | A | 0.0000 | |
| 517 | R | A | -3.0981 | |
| 518 | A | A | -2.5057 | |
| 519 | E | A | 0.0000 | |
| 520 | Q | A | -1.9872 | |
| 521 | K | A | -2.1170 | |
| 522 | D | A | 0.0000 | |
| 523 | R | A | 0.0000 | |
| 524 | Q | A | -1.3658 | |
| 525 | H | A | -1.4173 | |
| 526 | T | A | -1.1057 | |
| 527 | L | A | 0.0000 | |
| 528 | K | A | -1.9563 | |
| 529 | H | A | -1.3955 | |
| 530 | F | A | 0.0000 | |
| 531 | E | A | -1.6548 | |
| 532 | H | A | -0.3206 | |
| 533 | V | A | 0.0000 | |
| 534 | R | A | -1.2143 | |
| 535 | M | A | 0.9493 | |
| 536 | V | A | 0.7999 | |
| 537 | D | A | -0.9387 | |
| 538 | P | A | -1.5368 | |
| 539 | K | A | -2.6575 | |
| 540 | K | A | -2.3264 | |
| 541 | A | A | 0.0000 | |
| 542 | A | A | -1.7600 | |
| 543 | Q | A | -2.1889 | |
| 544 | I | A | -1.4999 | |
| 545 | R | A | -1.4763 | |
| 546 | P | A | -1.1428 | |
| 547 | Q | A | -1.7332 | |
| 548 | V | A | 0.0000 | |
| 549 | L | A | -0.8814 | |
| 550 | T | A | -1.1820 | |
| 551 | H | A | -1.4076 | |
| 552 | L | A | -1.4379 | |
| 553 | R | A | -2.6432 | |
| 554 | V | A | -1.5122 | |
| 555 | I | A | 0.0000 | |
| 556 | E | A | -2.9487 | |
| 557 | E | A | -3.5239 | |
| 558 | R | A | -2.5133 | |
| 559 | M | A | 0.0000 | |
| 560 | N | A | -2.7894 | |
| 561 | Q | A | -2.6155 | |
| 562 | S | A | 0.0000 | |
| 563 | L | A | 0.0000 | |
| 564 | G | A | -0.7066 | |
| 565 | L | A | -0.2459 | |
| 566 | L | A | 0.0000 | |
| 567 | Y | A | 0.2851 | |
| 568 | K | A | -0.9791 | |
| 569 | V | A | -0.6625 | |
| 570 | P | A | -1.0857 | |
| 571 | G | A | -1.7487 | |
| 572 | V | A | 0.0000 | |
| 573 | A | A | -2.0092 | |
| 574 | D | A | -3.2438 | |
| 575 | D | A | -3.8289 | |
| 576 | I | A | 0.0000 | |
| 577 | Q | A | -3.0570 | |
| 578 | D | A | -3.0238 | |
| 579 | Q | A | -2.0220 | |
| 580 | V | A | 0.0000 | |
| 581 | E | A | -2.1239 | |
| 582 | L | A | -0.9384 | |
| 583 | L | A | 0.0000 | |
| 584 | Q | A | -2.3685 | |
| 585 | R | A | -3.0616 | |
| 586 | E | A | -3.0873 | |
| 587 | Q | A | 0.0000 | |
| 588 | A | A | -2.3697 | |
| 589 | E | A | -3.4433 | |
| 590 | M | A | -2.1562 | |
| 591 | A | A | -2.0263 | |
| 592 | Q | A | -2.4333 | |
| 593 | Q | A | -2.2923 | |
| 594 | L | A | -1.5588 | |
| 595 | A | A | -1.8215 | |
| 596 | N | A | -2.3019 | |
| 597 | L | A | -1.6707 | |
| 598 | Q | A | -1.8314 | |
| 599 | T | A | -1.5646 | |
| 600 | D | A | -1.8557 | |
| 601 | V | A | 0.0742 | |
| 602 | R | A | -0.6329 | |
| 603 | V | A | 1.2991 | |
| 604 | S | A | 0.0957 | |
| 605 | Y | A | 0.5848 | |
| 606 | G | A | -0.7334 | |
| 607 | N | A | -1.7233 | |
| 608 | D | A | -1.6127 | |
| 609 | A | A | -0.3178 | |
| 610 | L | A | 1.2139 | |
| 611 | M | A | 0.7581 | |
| 612 | P | A | -0.7172 | |
| 613 | D | A | -2.5374 | |
| 614 | Q | A | -2.6015 | |
| 615 | E | A | -2.2441 | |
| 616 | L | A | -0.4215 | |
| 617 | G | A | -1.2866 | |
| 618 | D | A | -2.1385 | |
| 619 | G | A | -2.0365 | |
| 620 | Q | A | -2.1523 | |
| 621 | A | A | -1.1406 | |
| 622 | D | A | -0.9611 | |
| 623 | L | A | 1.4027 | |
| 624 | L | A | 1.5593 | |
| 625 | P | A | -0.0177 | |
| 626 | Q | A | -2.2598 | |
| 627 | E | A | -3.3414 | |
| 628 | D | A | -2.6553 | |
| 629 | T | A | -0.6587 | |
| 630 | L | A | 0.8323 | |
| 631 | G | A | 0.4091 | |
| 632 | G | A | 0.5512 | |
| 633 | V | A | 1.6474 | |
| 634 | G | A | 1.5980 | |
| 635 | F | A | 2.6893 | |
| 636 | V | A | 2.0502 | |
| 637 | H | A | -0.2267 | |
| 638 | P | A | -1.2630 | |
| 639 | E | A | -1.8435 | |
| 640 | S | A | -0.3446 | |
| 641 | F | A | 0.7221 | |
| 642 | N | A | -0.8674 | |
| 643 | Q | A | -1.4444 | |
| 644 | L | A | -1.2814 | |
| 645 | N | A | -1.8432 | |
| 646 | T | A | -1.9645 | |
| 647 | E | A | -2.9703 | |
| 648 | N | A | -2.4050 | |
| 649 | Q | A | -1.7762 | |
| 650 | V | A | -0.0255 | |
| 651 | E | A | -1.0122 | |
| 652 | P | A | -0.2849 | |
| 653 | V | A | 0.4064 | |
| 654 | D | A | -1.5062 | |
| 655 | S | A | -1.6884 | |
| 656 | R | A | -2.4866 | |
| 657 | P | A | -0.9567 | |
| 658 | T | A | 0.0355 | |
| 659 | F | A | 0.6333 | |
| 660 | E | A | -1.9059 | |
| 661 | R | A | -2.2271 | |
| 662 | G | A | -0.9137 | |
| 663 | V | A | 1.0179 | |
| 664 | P | A | 0.1172 | |
| 665 | T | A | -0.7857 | |
| 666 | R | A | -1.7085 | |
| 667 | P | A | -0.3481 | |
| 668 | V | A | 1.1559 | |
| 669 | T | A | 0.0651 | |
| 670 | G | A | -0.9913 | |
| 671 | K | A | -1.8086 | |
| 672 | S | A | -0.9155 | |
| 673 | M | A | -0.3018 | |
| 674 | E | A | -0.9526 | |
| 675 | A | A | 0.0937 | |
| 676 | V | A | 1.0013 | |
| 677 | P | A | 0.1216 | |
| 678 | E | A | -1.0931 | |
| 679 | L | A | -0.0885 | |
| 680 | R | A | -1.4405 | |
| 681 | M | A | -0.8467 | |
| 682 | E | A | -2.0293 | |
| 683 | T | A | -2.1442 | |
| 684 | E | A | -3.4264 | |
| 685 | D | A | -3.9470 | |
| 686 | R | A | -3.8116 | |
| 687 | Q | A | -2.8198 | |
| 688 | S | A | -1.7417 | |
| 689 | T | A | -1.0390 | |
| 690 | E | A | -1.7976 | |
| 691 | Y | A | -0.1135 | |
| 692 | E | A | -0.9591 | |
| 693 | V | A | 0.5014 | |
| 694 | H | A | -1.2820 | |
| 695 | H | A | -2.1954 | |
| 696 | Q | A | -3.0014 | |
| 697 | K | A | -2.1576 | |
| 698 | L | A | 1.0342 | |
| 699 | V | A | 2.7799 | |
| 700 | F | A | 3.9314 | |
| 701 | F | A | 2.8359 | |
| 702 | A | A | 0.3558 | |
| 703 | E | A | -2.0138 | |
| 704 | D | A | -2.0699 | |
| 705 | V | A | 0.2257 | |
| 706 | G | A | -0.3484 | |
| 707 | S | A | -1.1280 | |
| 708 | N | A | -2.1882 | |
| 709 | K | A | -1.8530 | |
| 710 | G | A | -0.4416 | |
| 711 | A | A | 0.9550 | |
| 712 | I | A | 3.0002 | |
| 713 | I | A | 3.4640 | |
| 714 | G | A | 2.3221 | |
| 715 | L | A | 3.7697 | |
| 716 | M | A | 4.0081 | |
| 717 | V | A | 4.3484 | |
| 718 | G | A | 3.1199 | |
| 719 | G | A | 3.2661 | |
| 720 | V | A | 4.4418 | |
| 721 | V | A | 4.9323 | |
| 722 | I | A | 4.9798 | |
| 723 | A | A | 4.1282 | |
| 724 | T | A | 4.2216 | |
| 725 | V | A | 5.3563 | |
| 726 | I | A | 5.3110 | |
| 727 | V | A | 5.1487 | |
| 728 | I | A | 4.7436 | |
| 729 | T | A | 3.0477 | |
| 730 | L | A | 2.4401 | |
| 731 | V | A | 1.7121 | |
| 732 | M | A | 0.6965 | |
| 733 | L | A | -0.1660 | |
| 734 | R | A | -2.1709 | |
| 735 | K | A | -2.7331 | |
| 736 | K | A | -2.6637 | |
| 737 | Q | A | -2.1328 | |
| 738 | Y | A | 0.0722 | |
| 739 | T | A | 0.1470 | |
| 740 | S | A | 0.6176 | |
| 741 | I | A | 1.3069 | |
| 742 | H | A | -0.1797 | |
| 743 | H | A | -0.6562 | |
| 744 | G | A | 0.2983 | |
| 745 | I | A | 2.1782 | |
| 746 | I | A | 2.0187 | |
| 747 | E | A | 0.0101 | |
| 748 | V | A | 0.7723 | |
| 749 | D | A | -1.0245 | |
| 750 | A | A | -0.4997 | |
| 751 | A | A | -0.2017 | |
| 752 | V | A | -0.8770 | |
| 753 | T | A | -1.3251 | |
| 754 | P | A | -1.9764 | |
| 755 | E | A | -3.1436 | |
| 756 | E | A | -2.9163 | |
| 757 | R | A | -2.8045 | |
| 758 | H | A | -2.7665 | |
| 759 | L | A | -1.1936 | |
| 760 | S | A | -2.4028 | |
| 761 | K | A | -3.2085 | |
| 762 | M | A | -1.9199 | |
| 763 | Q | A | -2.7372 | |
| 764 | Q | A | -2.9069 | |
| 765 | N | A | -2.7300 | |
| 766 | G | A | -2.1346 | |
| 767 | Y | A | -1.4143 | |
| 768 | E | A | -2.1715 | |
| 769 | N | A | -1.6714 | |
| 770 | P | A | -0.5531 | |
| 771 | T | A | 0.3102 | |
| 772 | Y | A | 0.6430 | |
| 773 | K | A | -0.6790 | |
| 774 | F | A | 1.5575 | |
| 775 | F | A | 1.6597 | |
| 776 | E | A | -0.9286 | |
| 777 | Q | A | -0.9813 | |
| 778 | M | A | 0.0450 | |
| 779 | Q | A | -1.3619 | |
| 780 | N | A | -1.9409 |
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 | -0.4588 | 7.4215 | View | CSV | PDB |
| 4.5 | -0.5903 | 7.4215 | View | CSV | PDB |
| 5.0 | -0.7632 | 7.4215 | View | CSV | PDB |
| 5.5 | -0.9489 | 7.4215 | View | CSV | PDB |
| 6.0 | -1.1185 | 7.4215 | View | CSV | PDB |
| 6.5 | -1.2501 | 7.4215 | View | CSV | PDB |
| 7.0 | -1.3358 | 7.4215 | View | CSV | PDB |
| 7.5 | -1.3849 | 7.4215 | View | CSV | PDB |
| 8.0 | -1.4124 | 7.4215 | View | CSV | PDB |
| 8.5 | -1.4249 | 7.4215 | View | CSV | PDB |
| 9.0 | -1.4216 | 7.4215 | 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