| Chain sequence(s) |
A: MAGGSATTWGYPVALLLLVATLGLGRWLQPDPGLPGLRHSYDCGIKGMQLLVFPRPGQTLRFKVVDEFGNRFDVNNCSICYHWVTSRPQEPAVFSADYRGCHVLEKDGRFHLRVFMEAVLPNGRVDVAQDATLICPKPDPSRTLDSQLAPPAMFSVSTPQTLSFLPTSGHTSQGSGHAFPSPLDPGHSSVHPTPALPSPGPGPTLATLAQPHWGTLEHWDVNKRDYIGTHLSQEQCQVASGHLPCIVRRTSKEACQQAGCCYDNTREVPCYYGNTATVQCFRDGYFVLVVSQEMALTHRITLANIHLAYAPTSCSPTQHTEAFVVFYFPLTHCGTTMQVAGDQLIYENWLVSGIHIQKGPQGSITRDSTFQLHVRCVFNASDFLPIQASIFPPPSPAPMTQPGPLRLELRIAKDETFSSYYGEDDYPIVRLLREPVHVEVRLLQRTDPNLVLLLHQCWGAPSANPFQQPQWPILSDGCPFKGDSYRTQMVALDGATPFQSHYQRFTVATFALLDSGSQRALRGLVYLFCSTSACHTSGLETCSTACSTGTTRQRRSSGHRNDTARPQDIVSSPGPVGFEDSYGQEPTLGPTDSNGNSSLRPLLWAVLLLPAVALVLGFGVFVGLSQTWAQKLWESNRQ
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] (00:00:11)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:11)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with A chain(s) selected (00:00:11)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:11)
[INFO] PDB-Info: The input structure is partially or entirely disordered. Average score is
recommended for pH analysis. (00:00:13)
[INFO] FoldX: Starting FoldX energy minimization (00:00:13)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:04:28)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/41ad9d86a1a5cae/tmp/folded.pdb (00:04:28)
[INFO] Main: Simulation completed successfully. (00:07:01)
|
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 | 0.9751 | |
| 2 | A | A | 0.1910 | |
| 3 | G | A | -0.4602 | |
| 4 | G | A | -0.7769 | |
| 5 | S | A | -0.5505 | |
| 6 | A | A | -0.2133 | |
| 7 | T | A | 0.1488 | |
| 8 | T | A | 0.4461 | |
| 9 | W | A | 1.1861 | |
| 10 | G | A | 0.6583 | |
| 11 | Y | A | 1.6193 | |
| 12 | P | A | 1.3058 | |
| 13 | V | A | 2.3476 | |
| 14 | A | A | 2.1462 | |
| 15 | L | A | 3.2574 | |
| 16 | L | A | 3.6752 | |
| 17 | L | A | 3.9165 | |
| 18 | L | A | 3.7346 | |
| 19 | V | A | 3.3216 | |
| 20 | A | A | 1.8656 | |
| 21 | T | A | 1.5054 | |
| 22 | L | A | 1.8264 | |
| 23 | G | A | 0.6621 | |
| 24 | L | A | 1.1757 | |
| 25 | G | A | -0.0559 | |
| 26 | R | A | -0.8588 | |
| 27 | W | A | 0.7899 | |
| 28 | L | A | 0.5856 | |
| 29 | Q | A | -1.0050 | |
| 30 | P | A | -1.1754 | |
| 31 | D | A | -2.0124 | |
| 32 | P | A | -1.2472 | |
| 33 | G | A | -0.5396 | |
| 34 | L | A | 0.5143 | |
| 35 | P | A | 0.0168 | |
| 36 | G | A | -0.8358 | |
| 37 | L | A | 0.0000 | |
| 38 | R | A | -2.0338 | |
| 39 | H | A | -1.1649 | |
| 40 | S | A | -0.5604 | |
| 41 | Y | A | -0.0699 | |
| 42 | D | A | -0.3865 | |
| 43 | C | A | 0.1551 | |
| 44 | G | A | 0.5756 | |
| 45 | I | A | 1.4332 | |
| 46 | K | A | 0.3678 | |
| 47 | G | A | 0.0000 | |
| 48 | M | A | 0.0000 | |
| 49 | Q | A | 0.0000 | |
| 50 | L | A | 0.0000 | |
| 51 | L | A | -0.1710 | |
| 52 | V | A | 0.0000 | |
| 53 | F | A | -0.9635 | |
| 54 | P | A | -1.5705 | |
| 55 | R | A | -2.5074 | |
| 56 | P | A | -1.6029 | |
| 57 | G | A | -1.2509 | |
| 58 | Q | A | -1.4742 | |
| 59 | T | A | -0.9924 | |
| 60 | L | A | 0.0000 | |
| 61 | R | A | -1.9705 | |
| 62 | F | A | 0.0000 | |
| 63 | K | A | -2.2364 | |
| 64 | V | A | 0.0000 | |
| 65 | V | A | 0.0000 | |
| 66 | D | A | -1.4406 | |
| 67 | E | A | -1.6440 | |
| 68 | F | A | 0.2126 | |
| 69 | G | A | -1.1732 | |
| 70 | N | A | -1.8791 | |
| 71 | R | A | -2.5645 | |
| 72 | F | A | -1.2598 | |
| 73 | D | A | -2.3123 | |
| 74 | V | A | -1.8143 | |
| 75 | N | A | -2.2143 | |
| 76 | N | A | -1.3458 | |
| 77 | C | A | 0.2159 | |
| 78 | S | A | 0.9515 | |
| 79 | I | A | 2.1126 | |
| 80 | C | A | 0.9002 | |
| 81 | Y | A | 0.7156 | |
| 82 | H | A | 0.0000 | |
| 83 | W | A | 0.0000 | |
| 84 | V | A | -0.5343 | |
| 85 | T | A | -0.5210 | |
| 86 | S | A | -0.9564 | |
| 87 | R | A | -1.4537 | |
| 88 | P | A | -1.5289 | |
| 89 | Q | A | -2.1235 | |
| 90 | E | A | -1.3459 | |
| 91 | P | A | -1.0155 | |
| 92 | A | A | 0.0000 | |
| 93 | V | A | 0.0000 | |
| 94 | F | A | 0.0000 | |
| 95 | S | A | 0.0000 | |
| 96 | A | A | 0.0000 | |
| 97 | D | A | 0.0000 | |
| 98 | Y | A | -0.6265 | |
| 99 | R | A | -1.7392 | |
| 100 | G | A | 0.0000 | |
| 101 | C | A | 0.3335 | |
| 102 | H | A | -0.8226 | |
| 103 | V | A | -0.9614 | |
| 104 | L | A | -1.7808 | |
| 105 | E | A | -3.1046 | |
| 106 | K | A | -3.3914 | |
| 107 | D | A | -3.2327 | |
| 108 | G | A | -2.4228 | |
| 109 | R | A | -2.1578 | |
| 110 | F | A | -1.4740 | |
| 111 | H | A | -1.0797 | |
| 112 | L | A | 0.0000 | |
| 113 | R | A | -1.9189 | |
| 114 | V | A | 0.0000 | |
| 115 | F | A | -1.7056 | |
| 116 | M | A | 0.0000 | |
| 117 | E | A | -1.2494 | |
| 118 | A | A | 0.0000 | |
| 119 | V | A | -1.3597 | |
| 120 | L | A | -1.3226 | |
| 121 | P | A | -1.1876 | |
| 122 | N | A | -1.9771 | |
| 123 | G | A | -1.9118 | |
| 124 | R | A | -2.4270 | |
| 125 | V | A | -1.3470 | |
| 126 | D | A | -1.5687 | |
| 127 | V | A | -0.5467 | |
| 128 | A | A | -0.7707 | |
| 129 | Q | A | -1.3712 | |
| 130 | D | A | -2.1759 | |
| 131 | A | A | 0.0000 | |
| 132 | T | A | -0.7013 | |
| 133 | L | A | 0.0000 | |
| 134 | I | A | -0.3493 | |
| 135 | C | A | 0.0000 | |
| 136 | P | A | -0.8516 | |
| 137 | K | A | -1.6185 | |
| 138 | P | A | -2.0186 | |
| 139 | D | A | -2.9006 | |
| 140 | P | A | -1.8131 | |
| 141 | S | A | -1.5633 | |
| 142 | R | A | -2.4662 | |
| 143 | T | A | -1.0244 | |
| 144 | L | A | -0.1542 | |
| 145 | D | A | -1.5789 | |
| 146 | S | A | -1.1033 | |
| 147 | Q | A | -0.8376 | |
| 148 | L | A | 0.6132 | |
| 149 | A | A | 0.3493 | |
| 150 | P | A | -0.1648 | |
| 151 | P | A | -0.1222 | |
| 152 | A | A | 0.7640 | |
| 153 | M | A | 1.9018 | |
| 154 | F | A | 2.7116 | |
| 155 | S | A | 1.9002 | |
| 156 | V | A | 1.9537 | |
| 157 | S | A | 0.5496 | |
| 158 | T | A | -0.1727 | |
| 159 | P | A | -0.9295 | |
| 160 | Q | A | -1.0478 | |
| 161 | T | A | 0.1168 | |
| 162 | L | A | 1.5459 | |
| 163 | S | A | 1.6831 | |
| 164 | F | A | 2.8545 | |
| 165 | L | A | 2.2933 | |
| 166 | P | A | 0.7961 | |
| 167 | T | A | -0.0716 | |
| 168 | S | A | -0.7671 | |
| 169 | G | A | -1.0761 | |
| 170 | H | A | -1.3441 | |
| 171 | T | A | -1.0279 | |
| 172 | S | A | -1.1381 | |
| 173 | Q | A | -1.5886 | |
| 174 | G | A | -1.2908 | |
| 175 | S | A | -1.1372 | |
| 176 | G | A | -1.1444 | |
| 177 | H | A | -0.8294 | |
| 178 | A | A | 0.3366 | |
| 179 | F | A | 1.5536 | |
| 180 | P | A | 0.5953 | |
| 181 | S | A | 0.1762 | |
| 182 | P | A | 0.1026 | |
| 183 | L | A | 0.4132 | |
| 184 | D | A | -1.4607 | |
| 185 | P | A | -1.2861 | |
| 186 | G | A | -1.5319 | |
| 187 | H | A | -1.6152 | |
| 188 | S | A | -0.5166 | |
| 189 | S | A | 0.0697 | |
| 190 | V | A | 1.0882 | |
| 191 | H | A | -0.3570 | |
| 192 | P | A | -0.4438 | |
| 193 | T | A | -0.5459 | |
| 194 | P | A | -0.1072 | |
| 195 | A | A | 0.5777 | |
| 196 | L | A | 1.3553 | |
| 197 | P | A | 0.2652 | |
| 198 | S | A | -0.2616 | |
| 199 | P | A | -0.7514 | |
| 200 | G | A | -0.8912 | |
| 201 | P | A | -0.8150 | |
| 202 | G | A | -0.7102 | |
| 203 | P | A | -0.2501 | |
| 204 | T | A | 0.4649 | |
| 205 | L | A | 1.6216 | |
| 206 | A | A | 1.1553 | |
| 207 | T | A | 0.9661 | |
| 208 | L | A | 1.4289 | |
| 209 | A | A | 0.0334 | |
| 210 | Q | A | -1.0289 | |
| 211 | P | A | -0.8719 | |
| 212 | H | A | -0.9798 | |
| 213 | W | A | 0.4558 | |
| 214 | G | A | -0.0064 | |
| 215 | T | A | 0.0264 | |
| 216 | L | A | 0.5784 | |
| 217 | E | A | -1.5052 | |
| 218 | H | A | -1.2393 | |
| 219 | W | A | -0.1278 | |
| 220 | D | A | -1.4785 | |
| 221 | V | A | -0.2104 | |
| 222 | N | A | -2.1757 | |
| 223 | K | A | -3.2338 | |
| 224 | R | A | -2.7867 | |
| 225 | D | A | -2.2561 | |
| 226 | Y | A | 0.5839 | |
| 227 | I | A | 1.4068 | |
| 228 | G | A | 0.0719 | |
| 229 | T | A | -0.3735 | |
| 230 | H | A | -1.4633 | |
| 231 | L | A | -1.1841 | |
| 232 | S | A | -1.6781 | |
| 233 | Q | A | -2.5275 | |
| 234 | E | A | -2.9618 | |
| 235 | Q | A | -2.2248 | |
| 236 | C | A | -1.6621 | |
| 237 | Q | A | -2.1981 | |
| 238 | V | A | 0.0000 | |
| 239 | A | A | -0.6670 | |
| 240 | S | A | -0.8555 | |
| 241 | G | A | -1.0121 | |
| 242 | H | A | -0.5832 | |
| 243 | L | A | -0.0478 | |
| 244 | P | A | -0.1034 | |
| 245 | C | A | 0.0000 | |
| 246 | I | A | -0.3270 | |
| 247 | V | A | 0.0000 | |
| 248 | R | A | -2.4874 | |
| 249 | R | A | -3.1585 | |
| 250 | T | A | -1.9547 | |
| 251 | S | A | -2.2795 | |
| 252 | K | A | -2.9722 | |
| 253 | E | A | -3.2074 | |
| 254 | A | A | -2.4852 | |
| 255 | C | A | 0.0000 | |
| 256 | Q | A | -2.0533 | |
| 257 | Q | A | -1.9974 | |
| 258 | A | A | -1.0489 | |
| 259 | G | A | -0.4200 | |
| 260 | C | A | 0.0000 | |
| 261 | C | A | 0.0000 | |
| 262 | Y | A | -0.7656 | |
| 263 | D | A | -1.2200 | |
| 264 | N | A | -1.8951 | |
| 265 | T | A | -1.1965 | |
| 266 | R | A | -1.4195 | |
| 267 | E | A | -1.6492 | |
| 268 | V | A | -0.1635 | |
| 269 | P | A | -1.1911 | |
| 270 | C | A | 0.0000 | |
| 271 | Y | A | 0.0000 | |
| 272 | Y | A | 0.0000 | |
| 273 | G | A | 0.0000 | |
| 274 | N | A | -1.2871 | |
| 275 | T | A | -0.5270 | |
| 276 | A | A | -0.0270 | |
| 277 | T | A | 0.0000 | |
| 278 | V | A | 0.4417 | |
| 279 | Q | A | 0.0000 | |
| 280 | C | A | 0.0261 | |
| 281 | F | A | -0.9537 | |
| 282 | R | A | -2.4842 | |
| 283 | D | A | -2.5034 | |
| 284 | G | A | -1.2936 | |
| 285 | Y | A | -0.2795 | |
| 286 | F | A | 0.0000 | |
| 287 | V | A | 0.0000 | |
| 288 | L | A | 0.0000 | |
| 289 | V | A | 0.0000 | |
| 290 | V | A | 0.0000 | |
| 291 | S | A | 0.0000 | |
| 292 | Q | A | -1.1005 | |
| 293 | E | A | -1.3615 | |
| 294 | M | A | -0.7307 | |
| 295 | A | A | 0.0000 | |
| 296 | L | A | -0.4286 | |
| 297 | T | A | -0.7205 | |
| 298 | H | A | -1.3221 | |
| 299 | R | A | -2.3469 | |
| 300 | I | A | 0.0000 | |
| 301 | T | A | -0.5249 | |
| 302 | L | A | 0.0000 | |
| 303 | A | A | -0.5561 | |
| 304 | N | A | -0.4147 | |
| 305 | I | A | 0.0000 | |
| 306 | H | A | -0.1937 | |
| 307 | L | A | 0.0000 | |
| 308 | A | A | 0.0000 | |
| 309 | Y | A | 0.0000 | |
| 310 | A | A | 0.0000 | |
| 311 | P | A | -0.0460 | |
| 312 | T | A | -0.2750 | |
| 313 | S | A | -0.2450 | |
| 314 | C | A | -0.1314 | |
| 315 | S | A | -0.4389 | |
| 316 | P | A | -0.5377 | |
| 317 | T | A | -0.4763 | |
| 318 | Q | A | -1.0599 | |
| 319 | H | A | -1.6082 | |
| 320 | T | A | -1.5325 | |
| 321 | E | A | -2.1597 | |
| 322 | A | A | -1.5595 | |
| 323 | F | A | 0.0000 | |
| 324 | V | A | 0.0000 | |
| 325 | V | A | 0.0000 | |
| 326 | F | A | 0.0000 | |
| 327 | Y | A | 0.5325 | |
| 328 | F | A | 0.0000 | |
| 329 | P | A | -0.0502 | |
| 330 | L | A | 0.0000 | |
| 331 | T | A | -0.0942 | |
| 332 | H | A | -0.1600 | |
| 333 | C | A | 0.0000 | |
| 334 | G | A | 0.0000 | |
| 335 | T | A | 0.0000 | |
| 336 | T | A | -0.1644 | |
| 337 | M | A | 0.4206 | |
| 338 | Q | A | 0.8152 | |
| 339 | V | A | 1.1695 | |
| 340 | A | A | -0.0315 | |
| 341 | G | A | -1.2534 | |
| 342 | D | A | -2.4477 | |
| 343 | Q | A | -1.3907 | |
| 344 | L | A | 0.2513 | |
| 345 | I | A | 0.4974 | |
| 346 | Y | A | 0.3243 | |
| 347 | E | A | 0.0000 | |
| 348 | N | A | 0.0000 | |
| 349 | W | A | -0.3315 | |
| 350 | L | A | 0.0000 | |
| 351 | V | A | 0.0000 | |
| 352 | S | A | -0.3811 | |
| 353 | G | A | 0.0772 | |
| 354 | I | A | 0.0666 | |
| 355 | H | A | -0.8276 | |
| 356 | I | A | -0.0680 | |
| 357 | Q | A | -1.5189 | |
| 358 | K | A | -2.2958 | |
| 359 | G | A | -1.7751 | |
| 360 | P | A | -1.5261 | |
| 361 | Q | A | -1.9428 | |
| 362 | G | A | -1.5928 | |
| 363 | S | A | -0.8856 | |
| 364 | I | A | 0.1756 | |
| 365 | T | A | -0.5873 | |
| 366 | R | A | -2.1058 | |
| 367 | D | A | -1.5442 | |
| 368 | S | A | -1.4602 | |
| 369 | T | A | -0.7504 | |
| 370 | F | A | 0.0000 | |
| 371 | Q | A | -0.8072 | |
| 372 | L | A | -0.4225 | |
| 373 | H | A | -0.8334 | |
| 374 | V | A | 0.0000 | |
| 375 | R | A | -1.2317 | |
| 376 | C | A | 0.0000 | |
| 377 | V | A | 1.1279 | |
| 378 | F | A | 0.0000 | |
| 379 | N | A | -1.3787 | |
| 380 | A | A | -0.8112 | |
| 381 | S | A | -0.9744 | |
| 382 | D | A | -1.3301 | |
| 383 | F | A | 1.1279 | |
| 384 | L | A | 2.0038 | |
| 385 | P | A | 1.2643 | |
| 386 | I | A | 1.8831 | |
| 387 | Q | A | 0.1508 | |
| 388 | A | A | 0.7935 | |
| 389 | S | A | 1.2244 | |
| 390 | I | A | 2.6260 | |
| 391 | F | A | 2.6478 | |
| 392 | P | A | 0.9576 | |
| 393 | P | A | 0.0020 | |
| 394 | P | A | -0.3163 | |
| 395 | S | A | -0.5806 | |
| 396 | P | A | -0.3372 | |
| 397 | A | A | -0.0133 | |
| 398 | P | A | 0.0529 | |
| 399 | M | A | 0.5817 | |
| 400 | T | A | -0.3042 | |
| 401 | Q | A | -1.2408 | |
| 402 | P | A | -1.0663 | |
| 403 | G | A | -1.0971 | |
| 404 | P | A | -0.6897 | |
| 405 | L | A | -1.0107 | |
| 406 | R | A | -2.1524 | |
| 407 | L | A | -0.9988 | |
| 408 | E | A | -0.7782 | |
| 409 | L | A | 0.0000 | |
| 410 | R | A | -0.5904 | |
| 411 | I | A | 0.0000 | |
| 412 | A | A | 0.0000 | |
| 413 | K | A | -1.5372 | |
| 414 | D | A | -1.9955 | |
| 415 | E | A | -2.3546 | |
| 416 | T | A | -1.3621 | |
| 417 | F | A | 0.0000 | |
| 418 | S | A | -0.7852 | |
| 419 | S | A | -0.6858 | |
| 420 | Y | A | -0.4443 | |
| 421 | Y | A | -1.1770 | |
| 422 | G | A | -1.9586 | |
| 423 | E | A | -3.1368 | |
| 424 | D | A | -3.2482 | |
| 425 | D | A | -2.3916 | |
| 426 | Y | A | -1.3973 | |
| 427 | P | A | -0.5532 | |
| 428 | I | A | 0.0000 | |
| 429 | V | A | 0.9740 | |
| 430 | R | A | -0.5956 | |
| 431 | L | A | -1.1494 | |
| 432 | L | A | -1.4952 | |
| 433 | R | A | -2.2333 | |
| 434 | E | A | -1.9809 | |
| 435 | P | A | -1.7043 | |
| 436 | V | A | 0.0000 | |
| 437 | H | A | -1.1676 | |
| 438 | V | A | 0.0000 | |
| 439 | E | A | 0.0000 | |
| 440 | V | A | 0.0000 | |
| 441 | R | A | -0.7779 | |
| 442 | L | A | 0.0000 | |
| 443 | L | A | -1.1322 | |
| 444 | Q | A | -1.9506 | |
| 445 | R | A | -1.9780 | |
| 446 | T | A | -1.0997 | |
| 447 | D | A | -1.1689 | |
| 448 | P | A | -0.8942 | |
| 449 | N | A | -1.0621 | |
| 450 | L | A | 0.0000 | |
| 451 | V | A | -0.1787 | |
| 452 | L | A | 0.0000 | |
| 453 | L | A | -0.2016 | |
| 454 | L | A | 0.0000 | |
| 455 | H | A | -1.3469 | |
| 456 | Q | A | -1.2040 | |
| 457 | C | A | 0.0000 | |
| 458 | W | A | -0.0792 | |
| 459 | G | A | 0.0000 | |
| 460 | A | A | 0.0000 | |
| 461 | P | A | -0.5405 | |
| 462 | S | A | -0.3590 | |
| 463 | A | A | -0.2845 | |
| 464 | N | A | -0.7350 | |
| 465 | P | A | 0.0723 | |
| 466 | F | A | 0.8887 | |
| 467 | Q | A | -0.7334 | |
| 468 | Q | A | -1.3902 | |
| 469 | P | A | -0.8797 | |
| 470 | Q | A | -0.7234 | |
| 471 | W | A | -0.0288 | |
| 472 | P | A | -0.3708 | |
| 473 | I | A | 0.0000 | |
| 474 | L | A | 0.0000 | |
| 475 | S | A | -1.3642 | |
| 476 | D | A | -2.0199 | |
| 477 | G | A | -1.0288 | |
| 478 | C | A | -0.9910 | |
| 479 | P | A | -1.1759 | |
| 480 | F | A | -1.1972 | |
| 481 | K | A | -2.0790 | |
| 482 | G | A | -1.4746 | |
| 483 | D | A | -1.1646 | |
| 484 | S | A | -0.6284 | |
| 485 | Y | A | -0.4087 | |
| 486 | R | A | -1.9425 | |
| 487 | T | A | 0.0000 | |
| 488 | Q | A | -1.2271 | |
| 489 | M | A | -0.2119 | |
| 490 | V | A | -0.0977 | |
| 491 | A | A | -0.1821 | |
| 492 | L | A | -0.5947 | |
| 493 | D | A | -1.8196 | |
| 494 | G | A | -1.2374 | |
| 495 | A | A | -0.6816 | |
| 496 | T | A | -0.4598 | |
| 497 | P | A | -0.1434 | |
| 498 | F | A | 0.0045 | |
| 499 | Q | A | -0.3578 | |
| 500 | S | A | -0.0600 | |
| 501 | H | A | 0.0000 | |
| 502 | Y | A | 0.0490 | |
| 503 | Q | A | -0.1880 | |
| 504 | R | A | -0.2844 | |
| 505 | F | A | 0.0000 | |
| 506 | T | A | -1.0840 | |
| 507 | V | A | 0.0000 | |
| 508 | A | A | -1.1769 | |
| 509 | T | A | 0.0000 | |
| 510 | F | A | -0.3021 | |
| 511 | A | A | -0.6118 | |
| 512 | L | A | 0.0000 | |
| 513 | L | A | -0.7788 | |
| 514 | D | A | -1.5911 | |
| 515 | S | A | -1.2470 | |
| 516 | G | A | -1.2739 | |
| 517 | S | A | -1.5186 | |
| 518 | Q | A | -2.1517 | |
| 519 | R | A | -2.5401 | |
| 520 | A | A | -1.5448 | |
| 521 | L | A | -0.9697 | |
| 522 | R | A | -1.9876 | |
| 523 | G | A | -1.0206 | |
| 524 | L | A | -0.2406 | |
| 525 | V | A | 0.0000 | |
| 526 | Y | A | 0.0279 | |
| 527 | L | A | 0.0000 | |
| 528 | F | A | 0.0000 | |
| 529 | C | A | 0.0000 | |
| 530 | S | A | 0.0000 | |
| 531 | T | A | 0.0000 | |
| 532 | S | A | -0.3843 | |
| 533 | A | A | -0.1426 | |
| 534 | C | A | -0.5608 | |
| 535 | H | A | -1.4090 | |
| 536 | T | A | -0.9988 | |
| 537 | S | A | -0.8272 | |
| 538 | G | A | -0.5663 | |
| 539 | L | A | 0.3916 | |
| 540 | E | A | -1.4132 | |
| 541 | T | A | -0.7996 | |
| 542 | C | A | -0.5681 | |
| 543 | S | A | -0.3286 | |
| 544 | T | A | -0.3442 | |
| 545 | A | A | -0.0706 | |
| 546 | C | A | 0.0175 | |
| 547 | S | A | -0.1561 | |
| 548 | T | A | -0.3034 | |
| 549 | G | A | -0.7536 | |
| 550 | T | A | -0.9937 | |
| 551 | T | A | -1.6598 | |
| 552 | R | A | -3.2936 | |
| 553 | Q | A | -3.5620 | |
| 554 | R | A | -3.9267 | |
| 555 | R | A | -3.5099 | |
| 556 | S | A | -2.0940 | |
| 557 | S | A | -1.6988 | |
| 558 | G | A | -1.8458 | |
| 559 | H | A | -2.6833 | |
| 560 | R | A | -3.6208 | |
| 561 | N | A | -3.3533 | |
| 562 | D | A | -3.5469 | |
| 563 | T | A | -2.0866 | |
| 564 | A | A | -1.8751 | |
| 565 | R | A | -2.9157 | |
| 566 | P | A | -2.1264 | |
| 567 | Q | A | -2.5442 | |
| 568 | D | A | -2.5144 | |
| 569 | I | A | -0.9027 | |
| 570 | V | A | 0.0000 | |
| 571 | S | A | -0.1805 | |
| 572 | S | A | 0.0000 | |
| 573 | P | A | -1.1128 | |
| 574 | G | A | 0.0000 | |
| 575 | P | A | 0.2054 | |
| 576 | V | A | 0.0000 | |
| 577 | G | A | 0.0000 | |
| 578 | F | A | 0.0000 | |
| 579 | E | A | -2.2165 | |
| 580 | D | A | -2.4083 | |
| 581 | S | A | -1.0302 | |
| 582 | Y | A | -0.3744 | |
| 583 | G | A | -1.6529 | |
| 584 | Q | A | -2.2576 | |
| 585 | E | A | -2.2742 | |
| 586 | P | A | -1.1613 | |
| 587 | T | A | -0.2357 | |
| 588 | L | A | 0.9500 | |
| 589 | G | A | -0.0993 | |
| 590 | P | A | -0.5729 | |
| 591 | T | A | -1.2231 | |
| 592 | D | A | -2.4075 | |
| 593 | S | A | -2.0014 | |
| 594 | N | A | -2.4109 | |
| 595 | G | A | -2.0041 | |
| 596 | N | A | -1.8026 | |
| 597 | S | A | -1.0630 | |
| 598 | S | A | -0.2914 | |
| 599 | L | A | 0.7254 | |
| 600 | R | A | -0.4585 | |
| 601 | P | A | 0.7165 | |
| 602 | L | A | 2.5615 | |
| 603 | L | A | 2.8860 | |
| 604 | W | A | 3.1842 | |
| 605 | A | A | 3.2313 | |
| 606 | V | A | 4.1323 | |
| 607 | L | A | 4.1519 | |
| 608 | L | A | 3.5379 | |
| 609 | L | A | 3.6591 | |
| 610 | P | A | 2.5792 | |
| 611 | A | A | 3.1169 | |
| 612 | V | A | 4.0457 | |
| 613 | A | A | 3.2559 | |
| 614 | L | A | 3.9649 | |
| 615 | V | A | 4.5248 | |
| 616 | L | A | 4.4248 | |
| 617 | G | A | 4.0125 | |
| 618 | F | A | 4.9872 | |
| 619 | G | A | 3.6336 | |
| 620 | V | A | 4.2962 | |
| 621 | F | A | 4.2645 | |
| 622 | V | A | 3.0401 | |
| 623 | G | A | 1.9639 | |
| 624 | L | A | 2.8340 | |
| 625 | S | A | 1.3298 | |
| 626 | Q | A | -0.3922 | |
| 627 | T | A | 0.1473 | |
| 628 | W | A | 0.7465 | |
| 629 | A | A | -0.2608 | |
| 630 | Q | A | -1.3263 | |
| 631 | K | A | -1.9299 | |
| 632 | L | A | -0.6425 | |
| 633 | W | A | -1.0695 | |
| 634 | E | A | -3.1302 | |
| 635 | S | A | -2.4883 | |
| 636 | N | A | -2.9236 | |
| 637 | R | A | -3.3597 | |
| 638 | Q | A | -2.8027 |
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 | 0.0361 | 8.4387 | View | CSV | PDB |
| 4.5 | -0.0182 | 8.4387 | View | CSV | PDB |
| 5.0 | -0.0821 | 8.4387 | View | CSV | PDB |
| 5.5 | -0.145 | 8.4387 | View | CSV | PDB |
| 6.0 | -0.1982 | 8.4387 | View | CSV | PDB |
| 6.5 | -0.2383 | 8.4387 | View | CSV | PDB |
| 7.0 | -0.2683 | 8.4387 | View | CSV | PDB |
| 7.5 | -0.2931 | 8.4387 | View | CSV | PDB |
| 8.0 | -0.3139 | 8.4387 | View | CSV | PDB |
| 8.5 | -0.3288 | 8.4387 | View | CSV | PDB |
| 9.0 | -0.3348 | 8.4387 | 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