| Chain sequence(s) |
A: MLPGLALLLLAAWTARALEVPTDGNAGLLAEPQIAMFCGRLNMHMNVQNGKWDSDPSGTKTCIDTKEGILQYCQEVYPELQITNVVEANQPVTIQNWCKRGRKQCKTHPHFVIPYRCLVGEFVSDALLVPDKCKFLHQERMDVCETHLHWHTVAKETCSEKSTNLHDYGMLLPCGIDKFRGVEFVCCPLAEESDNVDSADAEEDDSDVWWGGADTDYADGSEDKVVEVAEEEEVAEVEEEEADDDEDDEDGDEVEEEAEEPYEEATERTTSIATTTTTTTESVEEVVREVCSEQAETGPCRAMISRWYFDVTEGKCAPFFYGGCGGNRNNFDTEEYCMAVCGSAMSQSLLKTTQEPLARDPVKLPTTAASTPDAVDKYLETPGDENEHAHFQKAKERLEAKHRERMSQVMREWEEAERQAKNLPKADKKAVIQHFQEKVESLEQEAANERQQLVETHMARVEAMLNDRRRLALENYITALQAVPPRPRHVFNMLKKYVRAEQKDRQHTLKHFEHVRMVDPKKAAQIRSQVMTHLRVIYERMNQSLSLLYNVPAVAEEIQDEVDELLQKEQNYSDDVLANMISEPRISYGNDALMPSLTETKTTVELLPVNGEFSLDDLQPWHSFGADSVPANTENEVEPVDARPAADRGLTTRPGSGLTNIKTEEISEVKMDAEFRHDSGYEVHHQKLVFFAEDVGSNKGAIIGLMVGGVVIATVIVITLVMLKKKQYTSIHHGVVEVDAAVTPEERHLSKMQQNGYENPTYKFFEQMQN
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] (00:00:00)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:00)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with A chain(s) selected (00:00:00)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:00)
[INFO] PDB-Info: The input structure is partially or entirely disordered. Average score is
recommended for pH analysis. (00:00:03)
[INFO] FoldX: Starting FoldX energy minimization (00:00:03)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:11:48)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/a023ed44d4a0752/tmp/folded.pdb (00:11:48)
[INFO] Main: Simulation completed successfully. (00:15:24)
|
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 | 1.7407 | |
| 2 | L | A | 1.8412 | |
| 3 | P | A | 0.8186 | |
| 4 | G | A | 0.7249 | |
| 5 | L | A | 1.7975 | |
| 6 | A | A | 1.9010 | |
| 7 | L | A | 2.9580 | |
| 8 | L | A | 3.6225 | |
| 9 | L | A | 3.5134 | |
| 10 | L | A | 2.7388 | |
| 11 | A | A | 1.3774 | |
| 12 | A | A | 0.9424 | |
| 13 | W | A | 1.2043 | |
| 14 | T | A | 0.1850 | |
| 15 | A | A | -0.6479 | |
| 16 | R | A | -1.7139 | |
| 17 | A | A | -0.2714 | |
| 18 | L | A | 0.7710 | |
| 19 | E | A | -0.4941 | |
| 20 | V | A | 0.9927 | |
| 21 | P | A | -0.2130 | |
| 22 | T | A | -1.1014 | |
| 23 | D | A | -2.2475 | |
| 24 | G | A | -2.0696 | |
| 25 | N | A | -1.9682 | |
| 26 | A | A | -0.9743 | |
| 27 | G | A | -0.4051 | |
| 28 | L | A | 0.1130 | |
| 29 | L | A | 0.9383 | |
| 30 | A | A | -0.2512 | |
| 31 | E | A | -0.6618 | |
| 32 | P | A | 0.0000 | |
| 33 | Q | A | -0.4533 | |
| 34 | I | A | 0.0000 | |
| 35 | A | A | 0.0000 | |
| 36 | M | A | 0.6117 | |
| 37 | F | A | 1.3714 | |
| 38 | C | A | 0.7191 | |
| 39 | G | A | -0.4121 | |
| 40 | R | A | -0.8070 | |
| 41 | L | A | 0.0000 | |
| 42 | N | A | 0.0000 | |
| 43 | M | A | 0.0000 | |
| 44 | H | A | -0.6443 | |
| 45 | M | A | -1.2202 | |
| 46 | N | A | -1.3540 | |
| 47 | V | A | 0.0000 | |
| 48 | Q | A | -1.3827 | |
| 49 | N | A | -1.4679 | |
| 50 | G | A | -1.3694 | |
| 51 | K | A | -2.3305 | |
| 52 | W | A | -1.5814 | |
| 53 | D | A | -1.5476 | |
| 54 | S | A | -1.1026 | |
| 55 | D | A | 0.0000 | |
| 56 | P | A | -0.7764 | |
| 57 | S | A | -0.7040 | |
| 58 | G | A | -1.6349 | |
| 59 | T | A | -1.2580 | |
| 60 | K | A | -0.9733 | |
| 61 | T | A | -0.5687 | |
| 62 | C | A | 0.2153 | |
| 63 | I | A | -0.6541 | |
| 64 | D | A | -1.9271 | |
| 65 | T | A | -1.7907 | |
| 66 | K | A | -1.9616 | |
| 67 | E | A | -2.5300 | |
| 68 | G | A | -1.9053 | |
| 69 | I | A | 0.0000 | |
| 70 | L | A | -1.4302 | |
| 71 | Q | A | -2.2755 | |
| 72 | Y | A | 0.0000 | |
| 73 | C | A | 0.0000 | |
| 74 | Q | A | -2.1638 | |
| 75 | E | A | -2.0294 | |
| 76 | V | A | -1.1427 | |
| 77 | Y | A | 0.0000 | |
| 78 | P | A | -1.8016 | |
| 79 | E | A | -2.3193 | |
| 80 | L | A | -1.5488 | |
| 81 | Q | A | -1.8695 | |
| 82 | I | A | 0.0000 | |
| 83 | T | A | -0.6567 | |
| 84 | N | A | 0.0000 | |
| 85 | V | A | 0.0000 | |
| 86 | V | A | 0.0000 | |
| 87 | E | A | -0.3876 | |
| 88 | A | A | -0.5616 | |
| 89 | N | A | -0.9052 | |
| 90 | Q | A | -0.8131 | |
| 91 | P | A | 0.3116 | |
| 92 | V | A | 0.5708 | |
| 93 | T | A | 0.5947 | |
| 94 | I | A | 0.0000 | |
| 95 | Q | A | -2.0861 | |
| 96 | N | A | -2.8769 | |
| 97 | W | A | 0.0000 | |
| 98 | C | A | 0.0000 | |
| 99 | K | A | -3.2780 | |
| 100 | R | A | -3.4922 | |
| 101 | G | A | -3.0438 | |
| 102 | R | A | -4.1848 | |
| 103 | K | A | -3.8126 | |
| 104 | Q | A | -3.3162 | |
| 105 | C | A | -3.0538 | |
| 106 | K | A | -3.0063 | |
| 107 | T | A | -2.0053 | |
| 108 | H | A | -1.7873 | |
| 109 | P | A | -1.3154 | |
| 110 | H | A | 0.1128 | |
| 111 | F | A | 1.7412 | |
| 112 | V | A | 0.0000 | |
| 113 | I | A | 1.1712 | |
| 114 | P | A | 0.0000 | |
| 115 | Y | A | -0.1270 | |
| 116 | R | A | -0.3953 | |
| 117 | C | A | 0.0000 | |
| 118 | L | A | 0.0448 | |
| 119 | V | A | -0.4084 | |
| 120 | G | A | -0.9854 | |
| 121 | E | A | -1.2786 | |
| 122 | F | A | 0.5167 | |
| 123 | V | A | 1.5284 | |
| 124 | S | A | 0.7303 | |
| 125 | D | A | -0.0382 | |
| 126 | A | A | 0.4565 | |
| 127 | L | A | 0.8347 | |
| 128 | L | A | 1.7479 | |
| 129 | V | A | 0.7408 | |
| 130 | P | A | -0.6917 | |
| 131 | D | A | -2.4578 | |
| 132 | K | A | -2.7554 | |
| 133 | C | A | -1.6409 | |
| 134 | K | A | -1.7759 | |
| 135 | F | A | -0.0207 | |
| 136 | L | A | -0.5380 | |
| 137 | H | A | -1.3300 | |
| 138 | Q | A | -1.9599 | |
| 139 | E | A | -2.4480 | |
| 140 | R | A | -2.3939 | |
| 141 | M | A | -0.7319 | |
| 142 | D | A | -1.7587 | |
| 143 | V | A | -0.9646 | |
| 144 | C | A | -0.6676 | |
| 145 | E | A | -0.6795 | |
| 146 | T | A | -0.2403 | |
| 147 | H | A | 0.0000 | |
| 148 | L | A | 0.9776 | |
| 149 | H | A | -0.0190 | |
| 150 | W | A | 0.0000 | |
| 151 | H | A | -0.4602 | |
| 152 | T | A | -0.7028 | |
| 153 | V | A | -0.9531 | |
| 154 | A | A | 0.0000 | |
| 155 | K | A | -2.9096 | |
| 156 | E | A | -3.3345 | |
| 157 | T | A | -2.5609 | |
| 158 | C | A | 0.0000 | |
| 159 | S | A | -2.8742 | |
| 160 | E | A | -3.7057 | |
| 161 | K | A | -2.9257 | |
| 162 | S | A | -1.8061 | |
| 163 | T | A | -1.9394 | |
| 164 | N | A | -2.1432 | |
| 165 | L | A | -1.6760 | |
| 166 | H | A | -1.1017 | |
| 167 | D | A | -0.8692 | |
| 168 | Y | A | 0.0000 | |
| 169 | G | A | 0.0000 | |
| 170 | M | A | 0.0000 | |
| 171 | L | A | -0.1541 | |
| 172 | L | A | 0.6636 | |
| 173 | P | A | 0.3526 | |
| 174 | C | A | 0.2272 | |
| 175 | G | A | -0.3729 | |
| 176 | I | A | -0.3445 | |
| 177 | D | A | 0.0000 | |
| 178 | K | A | -0.4924 | |
| 179 | F | A | 0.0000 | |
| 180 | R | A | -1.2023 | |
| 181 | G | A | 0.0000 | |
| 182 | V | A | 0.0000 | |
| 183 | E | A | -0.9078 | |
| 184 | F | A | 0.0000 | |
| 185 | V | A | 0.0000 | |
| 186 | C | A | 0.0000 | |
| 187 | C | A | -1.3724 | |
| 188 | P | A | -1.3477 | |
| 189 | L | A | -0.4265 | |
| 190 | A | A | -1.2247 | |
| 191 | E | A | -2.7754 | |
| 192 | E | A | -3.2533 | |
| 193 | S | A | -2.7822 | |
| 194 | D | A | -2.9961 | |
| 195 | N | A | -1.9199 | |
| 196 | V | A | -0.2448 | |
| 197 | D | A | -1.4828 | |
| 198 | S | A | -1.2346 | |
| 199 | A | A | -1.3353 | |
| 200 | D | A | -2.6489 | |
| 201 | A | A | -2.0719 | |
| 202 | E | A | -3.6475 | |
| 203 | E | A | -4.2297 | |
| 204 | D | A | -4.2007 | |
| 205 | D | A | -3.6604 | |
| 206 | S | A | -1.8319 | |
| 207 | D | A | -1.6513 | |
| 208 | V | A | 1.0520 | |
| 209 | W | A | 0.8827 | |
| 210 | W | A | 0.7609 | |
| 211 | G | A | -0.2667 | |
| 212 | G | A | -0.6434 | |
| 213 | A | A | -1.1235 | |
| 214 | D | A | -2.2259 | |
| 215 | T | A | -1.4526 | |
| 216 | D | A | -2.1104 | |
| 217 | Y | A | -0.3518 | |
| 218 | A | A | -1.0761 | |
| 219 | D | A | -2.4217 | |
| 220 | G | A | -2.2923 | |
| 221 | S | A | -2.5819 | |
| 222 | E | A | -3.5871 | |
| 223 | D | A | -2.9164 | |
| 224 | K | A | -2.1442 | |
| 225 | V | A | 0.7621 | |
| 226 | V | A | 1.5173 | |
| 227 | E | A | 0.1695 | |
| 228 | V | A | 1.1129 | |
| 229 | A | A | -0.9399 | |
| 230 | E | A | -2.6335 | |
| 231 | E | A | -3.9546 | |
| 232 | E | A | -3.5856 | |
| 233 | E | A | -2.2030 | |
| 234 | V | A | 0.1611 | |
| 235 | A | A | -0.1294 | |
| 236 | E | A | -0.9662 | |
| 237 | V | A | -0.4356 | |
| 238 | E | A | -2.5043 | |
| 239 | E | A | -3.6427 | |
| 240 | E | A | -4.0596 | |
| 241 | E | A | -3.3897 | |
| 242 | A | A | -2.4459 | |
| 243 | D | A | -3.3787 | |
| 244 | D | A | -3.9967 | |
| 245 | D | A | -4.4018 | |
| 246 | E | A | -4.2862 | |
| 247 | D | A | -4.2608 | |
| 248 | D | A | -4.2501 | |
| 249 | E | A | -4.0282 | |
| 250 | D | A | -3.6803 | |
| 251 | G | A | -3.0193 | |
| 252 | D | A | -2.8958 | |
| 253 | E | A | -2.3329 | |
| 254 | V | A | -0.7344 | |
| 255 | E | A | -2.6566 | |
| 256 | E | A | -3.3547 | |
| 257 | E | A | -3.6109 | |
| 258 | A | A | -2.5150 | |
| 259 | E | A | -3.0805 | |
| 260 | E | A | -2.5534 | |
| 261 | P | A | -1.2751 | |
| 262 | Y | A | -0.4121 | |
| 263 | E | A | -2.1531 | |
| 264 | E | A | -2.4489 | |
| 265 | A | A | -1.9138 | |
| 266 | T | A | -1.7240 | |
| 267 | E | A | -2.8372 | |
| 268 | R | A | -2.8610 | |
| 269 | T | A | -1.5393 | |
| 270 | T | A | -0.3736 | |
| 271 | S | A | 0.7380 | |
| 272 | I | A | 1.9043 | |
| 273 | A | A | 0.9279 | |
| 274 | T | A | 0.3588 | |
| 275 | T | A | -0.1538 | |
| 276 | T | A | -0.1661 | |
| 277 | T | A | -0.1914 | |
| 278 | T | A | -0.2142 | |
| 279 | T | A | -0.5872 | |
| 280 | T | A | -1.0720 | |
| 281 | E | A | -2.2155 | |
| 282 | S | A | -1.3339 | |
| 283 | V | A | -0.3989 | |
| 284 | E | A | -2.4645 | |
| 285 | E | A | -3.1029 | |
| 286 | V | A | -1.4625 | |
| 287 | V | A | -1.6115 | |
| 288 | R | A | -3.0076 | |
| 289 | E | A | -3.4426 | |
| 290 | V | A | -2.2880 | |
| 291 | C | A | 0.0000 | |
| 292 | S | A | -1.6341 | |
| 293 | E | A | -2.4012 | |
| 294 | Q | A | -1.9854 | |
| 295 | A | A | -1.4357 | |
| 296 | E | A | -1.8310 | |
| 297 | T | A | -0.5169 | |
| 298 | G | A | -0.8564 | |
| 299 | P | A | -0.8391 | |
| 300 | C | A | -0.7182 | |
| 301 | R | A | -1.2379 | |
| 302 | A | A | 0.0743 | |
| 303 | M | A | 1.3598 | |
| 304 | I | A | 1.0809 | |
| 305 | S | A | 0.4943 | |
| 306 | R | A | -0.3822 | |
| 307 | W | A | -0.6953 | |
| 308 | Y | A | -0.7190 | |
| 309 | F | A | 0.0000 | |
| 310 | D | A | -0.9253 | |
| 311 | V | A | 0.0814 | |
| 312 | T | A | -0.5998 | |
| 313 | E | A | -2.0603 | |
| 314 | G | A | -1.3571 | |
| 315 | K | A | -1.8669 | |
| 316 | C | A | 0.0000 | |
| 317 | A | A | -0.8123 | |
| 318 | P | A | -0.2529 | |
| 319 | F | A | 0.8439 | |
| 320 | F | A | 1.6332 | |
| 321 | Y | A | 0.5900 | |
| 322 | G | A | 0.0000 | |
| 323 | G | A | -0.0966 | |
| 324 | C | A | -0.4354 | |
| 325 | G | A | -0.9724 | |
| 326 | G | A | -1.5648 | |
| 327 | N | A | -2.0037 | |
| 328 | R | A | -2.7484 | |
| 329 | N | A | 0.0000 | |
| 330 | N | A | -1.3780 | |
| 331 | F | A | 0.0000 | |
| 332 | D | A | -2.0880 | |
| 333 | T | A | -1.6305 | |
| 334 | E | A | -2.0528 | |
| 335 | E | A | -1.7927 | |
| 336 | Y | A | -0.1211 | |
| 337 | C | A | 0.0000 | |
| 338 | M | A | -0.3897 | |
| 339 | A | A | 0.1212 | |
| 340 | V | A | 0.4435 | |
| 341 | C | A | 0.0000 | |
| 342 | G | A | -0.2366 | |
| 343 | S | A | -0.2938 | |
| 344 | A | A | -0.8302 | |
| 345 | M | A | 0.1159 | |
| 346 | S | A | 0.0148 | |
| 347 | Q | A | -0.3290 | |
| 348 | S | A | 0.1943 | |
| 349 | L | A | 1.4871 | |
| 350 | L | A | 1.1740 | |
| 351 | K | A | -0.9384 | |
| 352 | T | A | -0.6492 | |
| 353 | T | A | -1.1569 | |
| 354 | Q | A | -2.3918 | |
| 355 | E | A | -2.2947 | |
| 356 | P | A | -0.8178 | |
| 357 | L | A | 0.5144 | |
| 358 | A | A | -0.5675 | |
| 359 | R | A | -2.2038 | |
| 360 | D | A | -2.5436 | |
| 361 | P | A | -0.9138 | |
| 362 | V | A | 0.4957 | |
| 363 | K | A | -0.4482 | |
| 364 | L | A | 1.0044 | |
| 365 | P | A | 0.1874 | |
| 366 | T | A | -0.0949 | |
| 367 | T | A | 0.0313 | |
| 368 | A | A | -0.0707 | |
| 369 | A | A | -0.1087 | |
| 370 | S | A | -0.3597 | |
| 371 | T | A | -0.6748 | |
| 372 | P | A | -1.4431 | |
| 373 | D | A | -1.6986 | |
| 374 | A | A | -2.0814 | |
| 375 | V | A | 0.0000 | |
| 376 | D | A | -2.2753 | |
| 377 | K | A | -2.6110 | |
| 378 | Y | A | 0.0000 | |
| 379 | L | A | -1.1464 | |
| 380 | E | A | -2.3888 | |
| 381 | T | A | -1.5857 | |
| 382 | P | A | -1.6112 | |
| 383 | G | A | -1.9685 | |
| 384 | D | A | -2.7635 | |
| 385 | E | A | -3.1964 | |
| 386 | N | A | -2.9316 | |
| 387 | E | A | 0.0000 | |
| 388 | H | A | -2.2727 | |
| 389 | A | A | -1.7526 | |
| 390 | H | A | -1.9544 | |
| 391 | F | A | 0.0000 | |
| 392 | Q | A | -2.1648 | |
| 393 | K | A | -2.5576 | |
| 394 | A | A | 0.0000 | |
| 395 | K | A | 0.0000 | |
| 396 | E | A | -3.4956 | |
| 397 | R | A | -3.6457 | |
| 398 | L | A | 0.0000 | |
| 399 | E | A | -3.2037 | |
| 400 | A | A | -2.9224 | |
| 401 | K | A | -2.8893 | |
| 402 | H | A | -3.1398 | |
| 403 | R | A | -3.6958 | |
| 404 | E | A | -3.6477 | |
| 405 | R | A | -2.7237 | |
| 406 | M | A | -2.4866 | |
| 407 | S | A | -2.4482 | |
| 408 | Q | A | -2.6676 | |
| 409 | V | A | 0.0000 | |
| 410 | M | A | -1.7314 | |
| 411 | R | A | -3.3670 | |
| 412 | E | A | -3.1093 | |
| 413 | W | A | -2.8762 | |
| 414 | E | A | -4.0144 | |
| 415 | E | A | -4.3746 | |
| 416 | A | A | -3.2311 | |
| 417 | E | A | -3.9242 | |
| 418 | R | A | -4.5742 | |
| 419 | Q | A | -3.7033 | |
| 420 | A | A | 0.0000 | |
| 421 | K | A | -3.5781 | |
| 422 | N | A | -2.8602 | |
| 423 | L | A | -1.9032 | |
| 424 | P | A | -2.0373 | |
| 425 | K | A | -2.9906 | |
| 426 | A | A | -2.0502 | |
| 427 | D | A | -2.4939 | |
| 428 | K | A | -3.0651 | |
| 429 | K | A | -2.8347 | |
| 430 | A | A | -1.8303 | |
| 431 | V | A | -1.3366 | |
| 432 | I | A | -1.3936 | |
| 433 | Q | A | -2.1955 | |
| 434 | H | A | -2.2204 | |
| 435 | F | A | -2.0518 | |
| 436 | Q | A | -2.7345 | |
| 437 | E | A | -3.6803 | |
| 438 | K | A | -3.0847 | |
| 439 | V | A | -2.8698 | |
| 440 | E | A | -3.9644 | |
| 441 | S | A | -3.0761 | |
| 442 | L | A | -2.8746 | |
| 443 | E | A | -3.5840 | |
| 444 | Q | A | -3.5202 | |
| 445 | E | A | -3.1658 | |
| 446 | A | A | -3.0704 | |
| 447 | A | A | -2.9286 | |
| 448 | N | A | -3.4141 | |
| 449 | E | A | -3.1427 | |
| 450 | R | A | -3.5198 | |
| 451 | Q | A | -3.3334 | |
| 452 | Q | A | -2.6412 | |
| 453 | L | A | 0.0000 | |
| 454 | V | A | -1.6547 | |
| 455 | E | A | -2.3379 | |
| 456 | T | A | -1.1252 | |
| 457 | H | A | 0.0000 | |
| 458 | M | A | -0.8044 | |
| 459 | A | A | -0.8576 | |
| 460 | R | A | -1.2316 | |
| 461 | V | A | 0.0000 | |
| 462 | E | A | -1.8675 | |
| 463 | A | A | -1.3256 | |
| 464 | M | A | -1.7102 | |
| 465 | L | A | -2.0286 | |
| 466 | N | A | -2.4806 | |
| 467 | D | A | -2.0086 | |
| 468 | R | A | -2.3999 | |
| 469 | R | A | -2.6454 | |
| 470 | R | A | -2.7300 | |
| 471 | L | A | -1.3394 | |
| 472 | A | A | 0.0000 | |
| 473 | L | A | -1.3159 | |
| 474 | E | A | -1.8207 | |
| 475 | N | A | -1.5290 | |
| 476 | Y | A | 0.0000 | |
| 477 | I | A | 0.1331 | |
| 478 | T | A | -0.4389 | |
| 479 | A | A | 0.0000 | |
| 480 | L | A | -0.4899 | |
| 481 | Q | A | -0.8048 | |
| 482 | A | A | 0.0469 | |
| 483 | V | A | 1.1118 | |
| 484 | P | A | 0.2533 | |
| 485 | P | A | -0.7498 | |
| 486 | R | A | -2.0216 | |
| 487 | P | A | -2.4423 | |
| 488 | R | A | -3.0675 | |
| 489 | H | A | -2.1854 | |
| 490 | V | A | 0.0000 | |
| 491 | F | A | -1.9908 | |
| 492 | N | A | -1.8720 | |
| 493 | M | A | -1.4338 | |
| 494 | L | A | 0.0000 | |
| 495 | K | A | -1.9308 | |
| 496 | K | A | -2.2262 | |
| 497 | Y | A | 0.0000 | |
| 498 | V | A | 0.0000 | |
| 499 | R | A | -2.4309 | |
| 500 | A | A | -2.2872 | |
| 501 | E | A | 0.0000 | |
| 502 | Q | A | 0.0000 | |
| 503 | K | A | -2.2965 | |
| 504 | D | A | 0.0000 | |
| 505 | R | A | -1.1287 | |
| 506 | Q | A | -1.2464 | |
| 507 | H | A | -1.5069 | |
| 508 | T | A | 0.0000 | |
| 509 | L | A | 0.0000 | |
| 510 | K | A | -1.5809 | |
| 511 | H | A | -1.0913 | |
| 512 | F | A | 0.0000 | |
| 513 | E | A | -0.6566 | |
| 514 | H | A | 0.2067 | |
| 515 | V | A | 0.0000 | |
| 516 | R | A | -0.2934 | |
| 517 | M | A | 1.4968 | |
| 518 | V | A | 1.6912 | |
| 519 | D | A | -0.3932 | |
| 520 | P | A | -1.2414 | |
| 521 | K | A | -2.6765 | |
| 522 | K | A | -2.5723 | |
| 523 | A | A | 0.0000 | |
| 524 | A | A | -1.7852 | |
| 525 | Q | A | -2.3128 | |
| 526 | I | A | -1.4333 | |
| 527 | R | A | -1.5121 | |
| 528 | S | A | -1.1484 | |
| 529 | Q | A | -1.7112 | |
| 530 | V | A | 0.0000 | |
| 531 | M | A | -0.5861 | |
| 532 | T | A | -0.8817 | |
| 533 | H | A | -0.7474 | |
| 534 | L | A | -0.5729 | |
| 535 | R | A | -1.4129 | |
| 536 | V | A | 0.0169 | |
| 537 | I | A | 0.0000 | |
| 538 | Y | A | -0.1666 | |
| 539 | E | A | -1.8060 | |
| 540 | R | A | -1.1395 | |
| 541 | M | A | -0.7283 | |
| 542 | N | A | -1.2605 | |
| 543 | Q | A | -1.7314 | |
| 544 | S | A | 0.0000 | |
| 545 | L | A | -0.3429 | |
| 546 | S | A | -0.2218 | |
| 547 | L | A | 0.2895 | |
| 548 | L | A | 0.0000 | |
| 549 | Y | A | 0.6210 | |
| 550 | N | A | -0.5919 | |
| 551 | V | A | -0.3371 | |
| 552 | P | A | -0.7135 | |
| 553 | A | A | -1.0081 | |
| 554 | V | A | 0.0000 | |
| 555 | A | A | -1.6048 | |
| 556 | E | A | -2.9606 | |
| 557 | E | A | -3.6051 | |
| 558 | I | A | 0.0000 | |
| 559 | Q | A | -3.3149 | |
| 560 | D | A | -4.1271 | |
| 561 | E | A | -3.9357 | |
| 562 | V | A | 0.0000 | |
| 563 | D | A | -3.0488 | |
| 564 | E | A | -3.8141 | |
| 565 | L | A | 0.0000 | |
| 566 | L | A | -1.9531 | |
| 567 | Q | A | -2.4075 | |
| 568 | K | A | -2.4774 | |
| 569 | E | A | 0.0000 | |
| 570 | Q | A | -1.7423 | |
| 571 | N | A | -2.1892 | |
| 572 | Y | A | -0.6015 | |
| 573 | S | A | 0.0000 | |
| 574 | D | A | -2.7870 | |
| 575 | D | A | -2.7560 | |
| 576 | V | A | -1.4915 | |
| 577 | L | A | -0.9994 | |
| 578 | A | A | -1.3785 | |
| 579 | N | A | -1.8971 | |
| 580 | M | A | 0.0000 | |
| 581 | I | A | 0.5455 | |
| 582 | S | A | -0.8527 | |
| 583 | E | A | -1.4878 | |
| 584 | P | A | -1.2127 | |
| 585 | R | A | -1.1762 | |
| 586 | I | A | 1.0947 | |
| 587 | S | A | 0.4783 | |
| 588 | Y | A | 0.7164 | |
| 589 | G | A | -0.7929 | |
| 590 | N | A | -1.5996 | |
| 591 | D | A | -1.7300 | |
| 592 | A | A | -0.1608 | |
| 593 | L | A | 1.2681 | |
| 594 | M | A | 1.3899 | |
| 595 | P | A | 0.8716 | |
| 596 | S | A | 0.8116 | |
| 597 | L | A | 1.1025 | |
| 598 | T | A | -0.2624 | |
| 599 | E | A | -1.9744 | |
| 600 | T | A | -1.8267 | |
| 601 | K | A | -2.2075 | |
| 602 | T | A | -0.9168 | |
| 603 | T | A | -0.0439 | |
| 604 | V | A | 1.0299 | |
| 605 | E | A | 0.2302 | |
| 606 | L | A | 1.7689 | |
| 607 | L | A | 2.1705 | |
| 608 | P | A | 1.5156 | |
| 609 | V | A | 1.0504 | |
| 610 | N | A | -1.0020 | |
| 611 | G | A | -1.2343 | |
| 612 | E | A | -1.2993 | |
| 613 | F | A | 1.0795 | |
| 614 | S | A | 0.6659 | |
| 615 | L | A | 0.8637 | |
| 616 | D | A | -1.7126 | |
| 617 | D | A | -2.0613 | |
| 618 | L | A | -0.4204 | |
| 619 | Q | A | -1.0306 | |
| 620 | P | A | -0.3215 | |
| 621 | W | A | 0.2163 | |
| 622 | H | A | -0.1904 | |
| 623 | S | A | 0.3186 | |
| 624 | F | A | 1.4224 | |
| 625 | G | A | 0.0990 | |
| 626 | A | A | -0.6570 | |
| 627 | D | A | -1.6152 | |
| 628 | S | A | -0.2963 | |
| 629 | V | A | 1.2033 | |
| 630 | P | A | 0.3148 | |
| 631 | A | A | -0.3474 | |
| 632 | N | A | -1.7291 | |
| 633 | T | A | -1.9152 | |
| 634 | E | A | -3.1550 | |
| 635 | N | A | -2.8410 | |
| 636 | E | A | -2.4666 | |
| 637 | V | A | -0.2828 | |
| 638 | E | A | -1.1061 | |
| 639 | P | A | -0.3474 | |
| 640 | V | A | 0.4212 | |
| 641 | D | A | -1.3387 | |
| 642 | A | A | -1.5028 | |
| 643 | R | A | -2.2977 | |
| 644 | P | A | -1.0809 | |
| 645 | A | A | -0.8038 | |
| 646 | A | A | -1.3822 | |
| 647 | D | A | -2.7070 | |
| 648 | R | A | -2.5919 | |
| 649 | G | A | -1.0167 | |
| 650 | L | A | 0.8853 | |
| 651 | T | A | 0.1913 | |
| 652 | T | A | -0.8909 | |
| 653 | R | A | -2.1047 | |
| 654 | P | A | -1.4040 | |
| 655 | G | A | -1.1464 | |
| 656 | S | A | -0.4068 | |
| 657 | G | A | 0.1500 | |
| 658 | L | A | 0.9224 | |
| 659 | T | A | 0.4535 | |
| 660 | N | A | -0.3964 | |
| 661 | I | A | 0.5390 | |
| 662 | K | A | -1.4876 | |
| 663 | T | A | -1.9336 | |
| 664 | E | A | -2.6901 | |
| 665 | E | A | -1.8048 | |
| 666 | I | A | 0.4782 | |
| 667 | S | A | -0.3039 | |
| 668 | E | A | -0.9885 | |
| 669 | V | A | 0.3158 | |
| 670 | K | A | -1.2649 | |
| 671 | M | A | -0.5908 | |
| 672 | D | A | -1.7904 | |
| 673 | A | A | -1.3977 | |
| 674 | E | A | -1.7828 | |
| 675 | F | A | -0.4781 | |
| 676 | R | A | -2.1662 | |
| 677 | H | A | -2.6439 | |
| 678 | D | A | -2.5969 | |
| 679 | S | A | -1.4159 | |
| 680 | G | A | -0.7534 | |
| 681 | Y | A | 0.3294 | |
| 682 | E | A | -1.1036 | |
| 683 | V | A | 0.0476 | |
| 684 | H | A | -1.7605 | |
| 685 | H | A | -2.5126 | |
| 686 | Q | A | -1.8513 | |
| 687 | K | A | -1.4262 | |
| 688 | L | A | 1.9681 | |
| 689 | V | A | 3.3836 | |
| 690 | F | A | 3.8074 | |
| 691 | F | A | 2.9153 | |
| 692 | A | A | 0.7146 | |
| 693 | E | A | -1.5355 | |
| 694 | D | A | -1.6339 | |
| 695 | V | A | 0.0068 | |
| 696 | G | A | -0.6743 | |
| 697 | S | A | -1.3192 | |
| 698 | N | A | -1.9951 | |
| 699 | K | A | -1.7443 | |
| 700 | G | A | -0.1825 | |
| 701 | A | A | 1.0728 | |
| 702 | I | A | 2.7369 | |
| 703 | I | A | 3.0030 | |
| 704 | G | A | 2.0837 | |
| 705 | L | A | 3.5276 | |
| 706 | M | A | 3.7050 | |
| 707 | V | A | 4.1140 | |
| 708 | G | A | 3.0205 | |
| 709 | G | A | 2.9111 | |
| 710 | V | A | 4.1798 | |
| 711 | V | A | 4.4801 | |
| 712 | I | A | 4.6146 | |
| 713 | A | A | 3.8414 | |
| 714 | T | A | 3.9318 | |
| 715 | V | A | 4.8169 | |
| 716 | I | A | 5.2453 | |
| 717 | V | A | 5.0536 | |
| 718 | I | A | 4.4785 | |
| 719 | T | A | 3.1724 | |
| 720 | L | A | 3.1861 | |
| 721 | V | A | 1.9759 | |
| 722 | M | A | 1.1246 | |
| 723 | L | A | 0.2451 | |
| 724 | K | A | -1.5657 | |
| 725 | K | A | -2.3550 | |
| 726 | K | A | -2.5714 | |
| 727 | Q | A | -2.0398 | |
| 728 | Y | A | -0.2838 | |
| 729 | T | A | -0.0723 | |
| 730 | S | A | 0.5150 | |
| 731 | I | A | 1.2708 | |
| 732 | H | A | -0.4955 | |
| 733 | H | A | -0.6176 | |
| 734 | G | A | 0.1698 | |
| 735 | V | A | 1.8133 | |
| 736 | V | A | 1.7671 | |
| 737 | E | A | -0.1519 | |
| 738 | V | A | 0.8102 | |
| 739 | D | A | -0.9087 | |
| 740 | A | A | -0.3062 | |
| 741 | A | A | 0.2239 | |
| 742 | V | A | -0.0079 | |
| 743 | T | A | -1.0832 | |
| 744 | P | A | -1.7731 | |
| 745 | E | A | -3.0044 | |
| 746 | E | A | -2.6082 | |
| 747 | R | A | -2.8061 | |
| 748 | H | A | -2.7870 | |
| 749 | L | A | -1.1413 | |
| 750 | S | A | -2.3042 | |
| 751 | K | A | -3.0763 | |
| 752 | M | A | -1.4477 | |
| 753 | Q | A | -2.2492 | |
| 754 | Q | A | -2.6198 | |
| 755 | N | A | -2.7399 | |
| 756 | G | A | -1.9037 | |
| 757 | Y | A | -1.0104 | |
| 758 | E | A | -2.3620 | |
| 759 | N | A | -1.7619 | |
| 760 | P | A | -0.7930 | |
| 761 | T | A | -0.0852 | |
| 762 | Y | A | 0.0870 | |
| 763 | K | A | -1.2488 | |
| 764 | F | A | 0.8780 | |
| 765 | F | A | 0.6680 | |
| 766 | E | A | -1.5379 | |
| 767 | Q | A | -1.4011 | |
| 768 | M | A | -0.3527 | |
| 769 | Q | A | -1.6708 | |
| 770 | N | A | -2.0608 |
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 | -0.4477 | 7.1511 | View | CSV | PDB |
| 4.5 | -0.5721 | 7.1112 | View | CSV | PDB |
| 5.0 | -0.7338 | 7.0667 | View | CSV | PDB |
| 5.5 | -0.904 | 7.0315 | View | CSV | PDB |
| 6.0 | -1.0537 | 7.0202 | View | CSV | PDB |
| 6.5 | -1.1613 | 7.0399 | View | CSV | PDB |
| 7.0 | -1.2197 | 7.0838 | View | CSV | PDB |
| 7.5 | -1.2391 | 7.1403 | View | CSV | PDB |
| 8.0 | -1.2355 | 7.2015 | View | CSV | PDB |
| 8.5 | -1.2172 | 7.2641 | View | CSV | PDB |
| 9.0 | -1.1852 | 7.3261 | 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