| Chain sequence(s) |
A: MAENWKNCFEEELICPICLHVFVEPVQLPCKHNFCRGCIGEAWAKDSGLVRCPECNQAYNQKPGLEKNLKLTNIVEKFNALHVEKPPAALHCVFCRRGPPLPAQKVCLRCEAPCCQSHVQTHLQQPSTARGHLLVEADDVRAWSCPQHNAYRLYHCEAEQVAVCQYCCYYSGAHQGHSVCDVEIRRNEIRKMLMKQQDRLEEREQDIEDQLYKLESDKRLVEEKVNQLKEEVRLQYEKLHQLLDEDLRQTVEVLDKAQAKFCSENAAQALHLGERMQEAKKLLGSLQLLFDKTEDVSFMKNTKSVKILMDRTQTCTSSSLSPTKIGHLNSKLFLNEVAKKEKQLRKMLEGPFSTPVPFLQSVPLYPCGVSSSGAEKRKHSTAFPEASFLETSSGPVGGQYGAAGTASGEGQSGQPLGPCSSTQHLVALPGGAQPVHSSPVFPPSQYPNGSAAQQPMLPQYGGRKILVCSVDNCYCSSVANHGGHQPYPRSGHFPWTVPSQEYSHPLPPTPSVPQSLPSLAVRDWLDASQQPGHQDFYRVYGQPSTKHYVTS
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] (00:00:02)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:02)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with A chain(s) selected (00:00:02)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:02)
[INFO] PDB-Info: The input structure is partially or entirely disordered. Average score is
recommended for pH analysis. (00:00:04)
[INFO] FoldX: Starting FoldX energy minimization (00:00:05)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:14:05)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/1aca2bf0875ec11/tmp/folded.pdb (00:14:05)
[INFO] Main: Simulation completed successfully. (00:19:12)
|
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 | 0.3635 | |
| 2 | A | A | -0.4813 | |
| 3 | E | A | -2.0224 | |
| 4 | N | A | -1.5222 | |
| 5 | W | A | -0.0925 | |
| 6 | K | A | -1.3777 | |
| 7 | N | A | -2.1443 | |
| 8 | C | A | -0.8759 | |
| 9 | F | A | -0.8369 | |
| 10 | E | A | -1.9584 | |
| 11 | E | A | -2.7214 | |
| 12 | E | A | -2.5722 | |
| 13 | L | A | 0.0000 | |
| 14 | I | A | -0.3174 | |
| 15 | C | A | 0.0000 | |
| 16 | P | A | 0.0587 | |
| 17 | I | A | 0.9195 | |
| 18 | C | A | 1.4062 | |
| 19 | L | A | 1.3730 | |
| 20 | H | A | 0.2179 | |
| 21 | V | A | -0.2960 | |
| 22 | F | A | 0.0000 | |
| 23 | V | A | 0.7808 | |
| 24 | E | A | -0.7433 | |
| 25 | P | A | 0.0000 | |
| 26 | V | A | 0.0000 | |
| 27 | Q | A | -1.9890 | |
| 28 | L | A | 0.0000 | |
| 29 | P | A | -1.1204 | |
| 30 | C | A | -1.5894 | |
| 31 | K | A | -2.0913 | |
| 32 | H | A | -1.7885 | |
| 33 | N | A | -1.6739 | |
| 34 | F | A | 0.0000 | |
| 35 | C | A | 0.0000 | |
| 36 | R | A | -2.1882 | |
| 37 | G | A | -1.2981 | |
| 38 | C | A | -0.7499 | |
| 39 | I | A | 0.0000 | |
| 40 | G | A | -1.7096 | |
| 41 | E | A | -2.7207 | |
| 42 | A | A | -1.8770 | |
| 43 | W | A | 0.0000 | |
| 44 | A | A | -1.9463 | |
| 45 | K | A | -3.0154 | |
| 46 | D | A | -2.8589 | |
| 47 | S | A | -1.4201 | |
| 48 | G | A | -0.8111 | |
| 49 | L | A | -0.5845 | |
| 50 | V | A | -1.3651 | |
| 51 | R | A | -2.1053 | |
| 52 | C | A | 0.0000 | |
| 53 | P | A | -1.5423 | |
| 54 | E | A | -2.1692 | |
| 55 | C | A | -1.7288 | |
| 56 | N | A | -2.3253 | |
| 57 | Q | A | -1.9028 | |
| 58 | A | A | -1.4377 | |
| 59 | Y | A | -1.6851 | |
| 60 | N | A | -2.0618 | |
| 61 | Q | A | -2.4799 | |
| 62 | K | A | -2.5498 | |
| 63 | P | A | -1.8982 | |
| 64 | G | A | -1.6132 | |
| 65 | L | A | -1.7774 | |
| 66 | E | A | -2.4472 | |
| 67 | K | A | -2.0691 | |
| 68 | N | A | -1.3464 | |
| 69 | L | A | -0.1468 | |
| 70 | K | A | -1.4307 | |
| 71 | L | A | 0.0000 | |
| 72 | T | A | -1.0479 | |
| 73 | N | A | -1.9041 | |
| 74 | I | A | -1.4390 | |
| 75 | V | A | 0.0000 | |
| 76 | E | A | -2.9797 | |
| 77 | K | A | -2.7865 | |
| 78 | F | A | 0.0000 | |
| 79 | N | A | -1.8389 | |
| 80 | A | A | -0.9741 | |
| 81 | L | A | -0.4800 | |
| 82 | H | A | -1.0173 | |
| 83 | V | A | 0.1374 | |
| 84 | E | A | -2.0444 | |
| 85 | K | A | -2.2972 | |
| 86 | P | A | -1.4357 | |
| 87 | P | A | -1.0440 | |
| 88 | A | A | -0.2930 | |
| 89 | A | A | -0.0295 | |
| 90 | L | A | 0.1940 | |
| 91 | H | A | 0.1306 | |
| 92 | C | A | 0.0000 | |
| 93 | V | A | 1.4742 | |
| 94 | F | A | 0.4652 | |
| 95 | C | A | -0.8004 | |
| 96 | R | A | -2.5002 | |
| 97 | R | A | -2.8624 | |
| 98 | G | A | -1.7902 | |
| 99 | P | A | -1.0782 | |
| 100 | P | A | -0.1953 | |
| 101 | L | A | 0.3858 | |
| 102 | P | A | -0.1569 | |
| 103 | A | A | 0.0000 | |
| 104 | Q | A | -2.2743 | |
| 105 | K | A | -2.1869 | |
| 106 | V | A | 0.0000 | |
| 107 | C | A | 0.0000 | |
| 108 | L | A | 0.0000 | |
| 109 | R | A | -0.8509 | |
| 110 | C | A | -0.6702 | |
| 111 | E | A | -1.4951 | |
| 112 | A | A | 0.0000 | |
| 113 | P | A | 0.0000 | |
| 114 | C | A | 0.0000 | |
| 115 | C | A | 0.0000 | |
| 116 | Q | A | -1.7688 | |
| 117 | S | A | -0.9967 | |
| 118 | H | A | -0.4789 | |
| 119 | V | A | -0.9965 | |
| 120 | Q | A | -1.4208 | |
| 121 | T | A | -0.9262 | |
| 122 | H | A | 0.0000 | |
| 123 | L | A | -0.2315 | |
| 124 | Q | A | -1.3363 | |
| 125 | Q | A | -1.0867 | |
| 126 | P | A | -0.6941 | |
| 127 | S | A | -0.7534 | |
| 128 | T | A | -0.7468 | |
| 129 | A | A | -0.9026 | |
| 130 | R | A | -1.7334 | |
| 131 | G | A | -0.9683 | |
| 132 | H | A | -0.6343 | |
| 133 | L | A | -0.1779 | |
| 134 | L | A | -0.2757 | |
| 135 | V | A | -1.3101 | |
| 136 | E | A | -3.0727 | |
| 137 | A | A | -2.7449 | |
| 138 | D | A | -3.3508 | |
| 139 | D | A | -3.0231 | |
| 140 | V | A | 0.0000 | |
| 141 | R | A | -2.6216 | |
| 142 | A | A | -1.3972 | |
| 143 | W | A | -0.9797 | |
| 144 | S | A | -1.3810 | |
| 145 | C | A | 0.0000 | |
| 146 | P | A | -1.5503 | |
| 147 | Q | A | -1.6905 | |
| 148 | H | A | -1.4546 | |
| 149 | N | A | -1.9335 | |
| 150 | A | A | -1.0492 | |
| 151 | Y | A | -0.7891 | |
| 152 | R | A | -0.2118 | |
| 153 | L | A | 0.0673 | |
| 154 | Y | A | 0.2594 | |
| 155 | H | A | -0.6507 | |
| 156 | C | A | 0.0000 | |
| 157 | E | A | -2.6444 | |
| 158 | A | A | -2.0651 | |
| 159 | E | A | -2.6592 | |
| 160 | Q | A | -2.2418 | |
| 161 | V | A | -0.5074 | |
| 162 | A | A | -0.1784 | |
| 163 | V | A | 0.0000 | |
| 164 | C | A | 0.0000 | |
| 165 | Q | A | 0.3793 | |
| 166 | Y | A | 0.9964 | |
| 167 | C | A | 0.5002 | |
| 168 | C | A | 0.6460 | |
| 169 | Y | A | 1.6663 | |
| 170 | Y | A | 1.7878 | |
| 171 | S | A | 0.4093 | |
| 172 | G | A | -0.2248 | |
| 173 | A | A | -0.2100 | |
| 174 | H | A | -0.9447 | |
| 175 | Q | A | -1.2627 | |
| 176 | G | A | -1.1575 | |
| 177 | H | A | -1.6423 | |
| 178 | S | A | -1.1809 | |
| 179 | V | A | -0.5843 | |
| 180 | C | A | 0.2689 | |
| 181 | D | A | 0.0000 | |
| 182 | V | A | 0.0000 | |
| 183 | E | A | -0.6564 | |
| 184 | I | A | -0.3223 | |
| 185 | R | A | -1.6730 | |
| 186 | R | A | -1.8481 | |
| 187 | N | A | -2.1649 | |
| 188 | E | A | -2.4619 | |
| 189 | I | A | -1.2145 | |
| 190 | R | A | -2.0456 | |
| 191 | K | A | -2.5197 | |
| 192 | M | A | -0.7802 | |
| 193 | L | A | -0.3279 | |
| 194 | M | A | -1.0692 | |
| 195 | K | A | -2.5515 | |
| 196 | Q | A | -2.4981 | |
| 197 | Q | A | -3.1595 | |
| 198 | D | A | -4.4503 | |
| 199 | R | A | -4.4387 | |
| 200 | L | A | -3.7981 | |
| 201 | E | A | -5.2356 | |
| 202 | E | A | -5.6002 | |
| 203 | R | A | -5.2168 | |
| 204 | E | A | -4.9035 | |
| 205 | Q | A | -4.5307 | |
| 206 | D | A | -3.8288 | |
| 207 | I | A | -1.6513 | |
| 208 | E | A | -2.0030 | |
| 209 | D | A | -2.1460 | |
| 210 | Q | A | -1.4030 | |
| 211 | L | A | 0.0890 | |
| 212 | Y | A | -0.2681 | |
| 213 | K | A | -1.7825 | |
| 214 | L | A | -1.0365 | |
| 215 | E | A | -2.1133 | |
| 216 | S | A | -2.1906 | |
| 217 | D | A | -3.2212 | |
| 218 | K | A | -4.0153 | |
| 219 | R | A | -3.9710 | |
| 220 | L | A | -2.3118 | |
| 221 | V | A | -2.5576 | |
| 222 | E | A | -3.9671 | |
| 223 | E | A | -4.0312 | |
| 224 | K | A | -3.3725 | |
| 225 | V | A | -1.9712 | |
| 226 | N | A | -2.8452 | |
| 227 | Q | A | -3.1504 | |
| 228 | L | A | -2.0202 | |
| 229 | K | A | -2.8409 | |
| 230 | E | A | -3.5840 | |
| 231 | E | A | -3.1460 | |
| 232 | V | A | -1.9790 | |
| 233 | R | A | -3.1984 | |
| 234 | L | A | -2.3015 | |
| 235 | Q | A | -2.8053 | |
| 236 | Y | A | -1.8914 | |
| 237 | E | A | -3.0026 | |
| 238 | K | A | -2.9800 | |
| 239 | L | A | -1.7919 | |
| 240 | H | A | -2.5364 | |
| 241 | Q | A | -2.7959 | |
| 242 | L | A | -0.9596 | |
| 243 | L | A | -1.5115 | |
| 244 | D | A | -3.1946 | |
| 245 | E | A | -3.1735 | |
| 246 | D | A | -2.2469 | |
| 247 | L | A | -1.2936 | |
| 248 | R | A | -2.9297 | |
| 249 | Q | A | -2.8203 | |
| 250 | T | A | -1.1052 | |
| 251 | V | A | -0.5486 | |
| 252 | E | A | -2.4770 | |
| 253 | V | A | -1.0013 | |
| 254 | L | A | -0.7578 | |
| 255 | D | A | -2.6719 | |
| 256 | K | A | -2.1908 | |
| 257 | A | A | -1.5582 | |
| 258 | Q | A | -2.1094 | |
| 259 | A | A | -1.9263 | |
| 260 | K | A | -2.5654 | |
| 261 | F | A | -1.3685 | |
| 262 | C | A | -0.8994 | |
| 263 | S | A | -1.3980 | |
| 264 | E | A | -2.0243 | |
| 265 | N | A | -0.9689 | |
| 266 | A | A | -0.3420 | |
| 267 | A | A | -0.2601 | |
| 268 | Q | A | -0.7810 | |
| 269 | A | A | -0.2212 | |
| 270 | L | A | 0.3736 | |
| 271 | H | A | -0.8442 | |
| 272 | L | A | -0.7636 | |
| 273 | G | A | -1.4700 | |
| 274 | E | A | -3.1366 | |
| 275 | R | A | -2.9113 | |
| 276 | M | A | -2.3567 | |
| 277 | Q | A | -3.7106 | |
| 278 | E | A | -3.7206 | |
| 279 | A | A | -2.4935 | |
| 280 | K | A | -3.1815 | |
| 281 | K | A | -3.1659 | |
| 282 | L | A | 0.0000 | |
| 283 | L | A | -0.1850 | |
| 284 | G | A | -0.4465 | |
| 285 | S | A | 0.1353 | |
| 286 | L | A | 0.3989 | |
| 287 | Q | A | -0.1616 | |
| 288 | L | A | 0.9371 | |
| 289 | L | A | 0.5363 | |
| 290 | F | A | 0.5635 | |
| 291 | D | A | -1.8727 | |
| 292 | K | A | -1.7530 | |
| 293 | T | A | -1.0679 | |
| 294 | E | A | -2.6685 | |
| 295 | D | A | -2.1259 | |
| 296 | V | A | 0.3802 | |
| 297 | S | A | -0.4647 | |
| 298 | F | A | -0.6659 | |
| 299 | M | A | -0.2152 | |
| 300 | K | A | -1.7220 | |
| 301 | N | A | -2.2042 | |
| 302 | T | A | -1.5361 | |
| 303 | K | A | -2.1451 | |
| 304 | S | A | -0.8835 | |
| 305 | V | A | -0.6028 | |
| 306 | K | A | -1.7236 | |
| 307 | I | A | -0.2203 | |
| 308 | L | A | 0.0000 | |
| 309 | M | A | -1.2263 | |
| 310 | D | A | -2.6254 | |
| 311 | R | A | -2.6471 | |
| 312 | T | A | -1.7366 | |
| 313 | Q | A | -2.1950 | |
| 314 | T | A | -1.8198 | |
| 315 | C | A | -1.5584 | |
| 316 | T | A | -0.9305 | |
| 317 | S | A | -0.7670 | |
| 318 | S | A | -0.4121 | |
| 319 | S | A | 0.1815 | |
| 320 | L | A | 0.7652 | |
| 321 | S | A | 0.0899 | |
| 322 | P | A | -0.0915 | |
| 323 | T | A | -0.0455 | |
| 324 | K | A | -0.5389 | |
| 325 | I | A | 1.1366 | |
| 326 | G | A | 0.1408 | |
| 327 | H | A | -0.3328 | |
| 328 | L | A | 0.1284 | |
| 329 | N | A | -0.8872 | |
| 330 | S | A | -0.4741 | |
| 331 | K | A | -1.0749 | |
| 332 | L | A | 0.3505 | |
| 333 | F | A | 0.6636 | |
| 334 | L | A | 0.5334 | |
| 335 | N | A | -0.7964 | |
| 336 | E | A | -1.4152 | |
| 337 | V | A | -0.9054 | |
| 338 | A | A | -2.1621 | |
| 339 | K | A | -4.0724 | |
| 340 | K | A | -4.2980 | |
| 341 | E | A | -4.9727 | |
| 342 | K | A | -5.0915 | |
| 343 | Q | A | -4.2517 | |
| 344 | L | A | -3.2243 | |
| 345 | R | A | -4.3586 | |
| 346 | K | A | -3.5397 | |
| 347 | M | A | -1.1005 | |
| 348 | L | A | -0.8113 | |
| 349 | E | A | -2.2223 | |
| 350 | G | A | -1.1184 | |
| 351 | P | A | 0.1733 | |
| 352 | F | A | 1.6376 | |
| 353 | S | A | 0.7166 | |
| 354 | T | A | 0.7980 | |
| 355 | P | A | 1.1639 | |
| 356 | V | A | 2.4294 | |
| 357 | P | A | 1.6199 | |
| 358 | F | A | 2.8291 | |
| 359 | L | A | 2.3487 | |
| 360 | Q | A | 0.5099 | |
| 361 | S | A | 0.5143 | |
| 362 | V | A | 1.9711 | |
| 363 | P | A | 1.5277 | |
| 364 | L | A | 2.5241 | |
| 365 | Y | A | 2.2371 | |
| 366 | P | A | 1.2394 | |
| 367 | C | A | 1.4047 | |
| 368 | G | A | 0.7765 | |
| 369 | V | A | 1.4533 | |
| 370 | S | A | 0.3865 | |
| 371 | S | A | -0.0818 | |
| 372 | S | A | -0.5310 | |
| 373 | G | A | -1.2301 | |
| 374 | A | A | -1.8397 | |
| 375 | E | A | -3.5114 | |
| 376 | K | A | -4.1823 | |
| 377 | R | A | -4.2590 | |
| 378 | K | A | -3.9260 | |
| 379 | H | A | -2.6424 | |
| 380 | S | A | -1.2086 | |
| 381 | T | A | -0.1353 | |
| 382 | A | A | 0.7707 | |
| 383 | F | A | 1.4449 | |
| 384 | P | A | -0.1838 | |
| 385 | E | A | -1.5734 | |
| 386 | A | A | -0.6778 | |
| 387 | S | A | 0.7316 | |
| 388 | F | A | 2.2025 | |
| 389 | L | A | 1.3970 | |
| 390 | E | A | -0.6179 | |
| 391 | T | A | -0.7725 | |
| 392 | S | A | -0.8255 | |
| 393 | S | A | -0.6199 | |
| 394 | G | A | -0.3047 | |
| 395 | P | A | 0.2115 | |
| 396 | V | A | 1.1876 | |
| 397 | G | A | -0.1987 | |
| 398 | G | A | -0.6100 | |
| 399 | Q | A | -0.9786 | |
| 400 | Y | A | 0.3762 | |
| 401 | G | A | 0.0471 | |
| 402 | A | A | 0.0410 | |
| 403 | A | A | -0.2832 | |
| 404 | G | A | -0.4666 | |
| 405 | T | A | -0.3235 | |
| 406 | A | A | -0.5103 | |
| 407 | S | A | -0.9138 | |
| 408 | G | A | -1.7897 | |
| 409 | E | A | -2.6468 | |
| 410 | G | A | -2.1929 | |
| 411 | Q | A | -2.1653 | |
| 412 | S | A | -1.4659 | |
| 413 | G | A | -1.5075 | |
| 414 | Q | A | -1.2813 | |
| 415 | P | A | -0.3547 | |
| 416 | L | A | 0.8328 | |
| 417 | G | A | 0.1336 | |
| 418 | P | A | 0.1360 | |
| 419 | C | A | 0.3373 | |
| 420 | S | A | -0.0691 | |
| 421 | S | A | -0.4349 | |
| 422 | T | A | -1.0246 | |
| 423 | Q | A | -1.4662 | |
| 424 | H | A | -0.4753 | |
| 425 | L | A | 1.7052 | |
| 426 | V | A | 2.6798 | |
| 427 | A | A | 1.9425 | |
| 428 | L | A | 1.6840 | |
| 429 | P | A | 0.2912 | |
| 430 | G | A | -0.5096 | |
| 431 | G | A | -0.9671 | |
| 432 | A | A | -0.8768 | |
| 433 | Q | A | -1.0299 | |
| 434 | P | A | -0.2362 | |
| 435 | V | A | 0.8889 | |
| 436 | H | A | -0.3302 | |
| 437 | S | A | -0.5043 | |
| 438 | S | A | -0.2329 | |
| 439 | P | A | 0.8076 | |
| 440 | V | A | 2.4835 | |
| 441 | F | A | 2.5162 | |
| 442 | P | A | 1.0013 | |
| 443 | P | A | -0.2323 | |
| 444 | S | A | -0.4865 | |
| 445 | Q | A | -0.7804 | |
| 446 | Y | A | 0.2063 | |
| 447 | P | A | -0.4962 | |
| 448 | N | A | -1.3494 | |
| 449 | G | A | -1.0819 | |
| 450 | S | A | -0.7864 | |
| 451 | A | A | -0.5450 | |
| 452 | A | A | -0.8988 | |
| 453 | Q | A | -1.7020 | |
| 454 | Q | A | -1.6770 | |
| 455 | P | A | -0.2695 | |
| 456 | M | A | 1.1105 | |
| 457 | L | A | 1.6240 | |
| 458 | P | A | 0.4214 | |
| 459 | Q | A | -0.3924 | |
| 460 | Y | A | 0.0757 | |
| 461 | G | A | -0.9615 | |
| 462 | G | A | -1.6314 | |
| 463 | R | A | -2.0818 | |
| 464 | K | A | -1.1946 | |
| 465 | I | A | 1.8688 | |
| 466 | L | A | 2.7747 | |
| 467 | V | A | 3.2150 | |
| 468 | C | A | 2.0725 | |
| 469 | S | A | 0.8358 | |
| 470 | V | A | 1.0441 | |
| 471 | D | A | -1.3802 | |
| 472 | N | A | -1.2377 | |
| 473 | C | A | 0.3094 | |
| 474 | Y | A | 1.5747 | |
| 475 | C | A | 1.9196 | |
| 476 | S | A | 0.8884 | |
| 477 | S | A | 0.7896 | |
| 478 | V | A | 1.5983 | |
| 479 | A | A | -0.0768 | |
| 480 | N | A | -1.5154 | |
| 481 | H | A | -1.8263 | |
| 482 | G | A | -1.8430 | |
| 483 | G | A | -1.8944 | |
| 484 | H | A | -1.9243 | |
| 485 | Q | A | -1.6814 | |
| 486 | P | A | -0.8159 | |
| 487 | Y | A | 0.1712 | |
| 488 | P | A | -0.8375 | |
| 489 | R | A | -2.0196 | |
| 490 | S | A | -1.4454 | |
| 491 | G | A | -1.2122 | |
| 492 | H | A | -0.5565 | |
| 493 | F | A | 1.4617 | |
| 494 | P | A | 1.1126 | |
| 495 | W | A | 1.7894 | |
| 496 | T | A | 1.2704 | |
| 497 | V | A | 1.6775 | |
| 498 | P | A | 0.3462 | |
| 499 | S | A | -0.8381 | |
| 500 | Q | A | -1.7766 | |
| 501 | E | A | -1.9656 | |
| 502 | Y | A | -0.2008 | |
| 503 | S | A | -0.5778 | |
| 504 | H | A | -0.8005 | |
| 505 | P | A | -0.1312 | |
| 506 | L | A | 1.0519 | |
| 507 | P | A | 0.3504 | |
| 508 | P | A | -0.2119 | |
| 509 | T | A | -0.2293 | |
| 510 | P | A | -0.0506 | |
| 511 | S | A | 0.2018 | |
| 512 | V | A | 1.1324 | |
| 513 | P | A | 0.1057 | |
| 514 | Q | A | -0.6687 | |
| 515 | S | A | -0.0190 | |
| 516 | L | A | 1.1873 | |
| 517 | P | A | 0.6948 | |
| 518 | S | A | 0.8504 | |
| 519 | L | A | 1.2089 | |
| 520 | A | A | -0.0092 | |
| 521 | V | A | -0.1795 | |
| 522 | R | A | -2.2343 | |
| 523 | D | A | -2.3206 | |
| 524 | W | A | -0.9616 | |
| 525 | L | A | -1.0256 | |
| 526 | D | A | -2.5509 | |
| 527 | A | A | -1.3050 | |
| 528 | S | A | -1.5917 | |
| 529 | Q | A | -2.2446 | |
| 530 | Q | A | -2.1850 | |
| 531 | P | A | -1.7579 | |
| 532 | G | A | -1.7937 | |
| 533 | H | A | -2.1804 | |
| 534 | Q | A | -2.0687 | |
| 535 | D | A | -1.4674 | |
| 536 | F | A | 1.0738 | |
| 537 | Y | A | 1.2625 | |
| 538 | R | A | 0.2810 | |
| 539 | V | A | 1.7642 | |
| 540 | Y | A | 1.2407 | |
| 541 | G | A | -0.2558 | |
| 542 | Q | A | -1.1011 | |
| 543 | P | A | -1.0927 | |
| 544 | S | A | -1.3016 | |
| 545 | T | A | -1.3353 | |
| 546 | K | A | -1.7773 | |
| 547 | H | A | -0.7417 | |
| 548 | Y | A | 1.2156 | |
| 549 | V | A | 1.8635 | |
| 550 | T | A | 0.9093 | |
| 551 | S | A | 0.3518 |
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 | -0.5277 | 6.5804 | View | CSV | PDB |
| 4.5 | -0.6228 | 6.5804 | View | CSV | PDB |
| 5.0 | -0.743 | 6.5804 | View | CSV | PDB |
| 5.5 | -0.8625 | 6.5804 | View | CSV | PDB |
| 6.0 | -0.9531 | 6.5804 | View | CSV | PDB |
| 6.5 | -0.9959 | 6.5804 | View | CSV | PDB |
| 7.0 | -0.9915 | 6.5804 | View | CSV | PDB |
| 7.5 | -0.9565 | 6.5804 | View | CSV | PDB |
| 8.0 | -0.9065 | 6.5804 | View | CSV | PDB |
| 8.5 | -0.8472 | 6.5804 | View | CSV | PDB |
| 9.0 | -0.7785 | 6.5804 | 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