| Chain sequence(s) | MPAESGKRFKPSKYVPVSAAAIFLVGATTLFFAFTCPGLSLNVSPAVPIYNAIMFLFVLANFSMATFMDPGIFPRAEEDEDKEDDFRAPLYKTVEIKGIQVRMKWCATCRFYRPPRCSHCSVCDNCVEEFDHHCPWVNNCIGRRNYRYFFLFLLSLTAHIMGVFGFGLLYVLYHIEELSGVRTAVTMAVMCVAGLFFIPVAGLTGFHVVLVARGRTTNEQVTGKFRGGVNPFTNGCCNNVSRVLCSSPAPRYLGRPKKEKTIVIRPPFLRPEVSDGQITVKIMDNGIQGELRRTKSKGSLEITESQSADAEPPPPPKPDLSRYTGLRTHLSLATNEDSSLLGKDSPPTPTMYKYRPGYSSSSTSAAMPHSSSAKLSRGDSLKEPTSIADSSRHPSYRSEPSLEPESFRSPTFGKSFHFDPLSSGSRSSSLKSAQGTGFELGQLQSIRSEGTTSTSYKSLANQTRNGSLSYDSLLTPSDSPDFESVQAGPEPDPPLGYTSPFLSARLAQQREAERHPRLLPTGPPHREPSPVRYDNLSRHIVASLQEREKLLRQSPPLAGREEEPGLGDSGIQSTPGSGHAPRTSSSSDDSKRSPLSKTPLGRPAVPRFGKPDGLRSRGLGSPEPGTTAPYLGRSISYSSQKAPSGVSETEEVALQPLLTPKDEVQLKTTYSKSNGQPKSIGSASPGPGQPPLSSPTRGGVKKVSGVGGTTYEISV input PDB |
| Selected Chain(s) | A |
| Distance of aggregation | 10 Å |
| FoldX usage | Yes |
| pH calculations | Yes |
| 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. (00:00:02)
[INFO] FoldX: Starting FoldX energy minimization (00:00:02)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:05:27)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/185f709fb83398/tmp/folded.pdb (00:05:27)
[INFO] Main: Simulation completed successfully. (00:08:26)
|
The table below lists A3D score for protein residues. Residues with A3D score > 0.0000 are marked by yellow rows.
| residue index | residue name | chain | Aggrescan3D score | mutation |
|---|---|---|---|---|
| residue index | residue name | chain | Aggrescan3D score | |
| 1 | M | A | 0.6933 | |
| 2 | P | A | -0.1953 | |
| 3 | A | A | -0.7802 | |
| 4 | E | A | -2.2133 | |
| 5 | S | A | -2.1097 | |
| 6 | G | A | -2.1848 | |
| 7 | K | A | -2.8765 | |
| 8 | R | A | -2.3639 | |
| 9 | F | A | -0.5351 | |
| 10 | K | A | -1.6481 | |
| 11 | P | A | -0.5248 | |
| 12 | S | A | -0.2451 | |
| 13 | K | A | -0.4807 | |
| 14 | Y | A | 0.8561 | |
| 15 | V | A | 1.6328 | |
| 16 | P | A | 1.1649 | |
| 17 | V | A | 1.1405 | |
| 18 | S | A | 1.3563 | |
| 19 | A | A | 1.6108 | |
| 20 | A | A | 0.0000 | |
| 21 | A | A | 1.5525 | |
| 22 | I | A | 2.3407 | |
| 23 | F | A | 1.5399 | |
| 24 | L | A | 0.0000 | |
| 25 | V | A | 1.6037 | |
| 26 | G | A | 1.1392 | |
| 27 | A | A | 1.0318 | |
| 28 | T | A | 0.0000 | |
| 29 | T | A | 0.7456 | |
| 30 | L | A | 1.0269 | |
| 31 | F | A | 0.0000 | |
| 32 | F | A | 0.8024 | |
| 33 | A | A | 0.6231 | |
| 34 | F | A | 0.8016 | |
| 35 | T | A | 0.0000 | |
| 36 | C | A | 0.0000 | |
| 37 | P | A | 0.2329 | |
| 38 | G | A | 0.3083 | |
| 39 | L | A | 0.0000 | |
| 40 | S | A | 0.6512 | |
| 41 | L | A | 1.0435 | |
| 42 | N | A | -0.0085 | |
| 43 | V | A | 0.7780 | |
| 44 | S | A | 0.5361 | |
| 45 | P | A | 0.6267 | |
| 46 | A | A | 1.0206 | |
| 47 | V | A | 0.0000 | |
| 48 | P | A | 1.6201 | |
| 49 | I | A | 3.0415 | |
| 50 | Y | A | 2.7662 | |
| 51 | N | A | 0.0000 | |
| 52 | A | A | 2.8177 | |
| 53 | I | A | 3.8968 | |
| 54 | M | A | 2.7324 | |
| 55 | F | A | 2.5975 | |
| 56 | L | A | 3.0794 | |
| 57 | F | A | 2.7265 | |
| 58 | V | A | 0.0000 | |
| 59 | L | A | 1.7653 | |
| 60 | A | A | 1.2523 | |
| 61 | N | A | 0.0000 | |
| 62 | F | A | 0.0000 | |
| 63 | S | A | 0.9845 | |
| 64 | M | A | 1.0711 | |
| 65 | A | A | 0.0000 | |
| 66 | T | A | 1.0353 | |
| 67 | F | A | 2.0033 | |
| 68 | M | A | 0.9177 | |
| 69 | D | A | 0.0102 | |
| 70 | P | A | 0.0000 | |
| 71 | G | A | 0.0000 | |
| 72 | I | A | -0.3699 | |
| 73 | F | A | 0.0000 | |
| 74 | P | A | -0.7841 | |
| 75 | R | A | -1.7296 | |
| 76 | A | A | -2.7985 | |
| 77 | E | A | -3.9207 | |
| 78 | E | A | -4.3053 | |
| 79 | D | A | -4.3631 | |
| 80 | E | A | -4.1489 | |
| 81 | D | A | -4.3790 | |
| 82 | K | A | -4.6568 | |
| 83 | E | A | -4.1896 | |
| 84 | D | A | -3.9975 | |
| 85 | D | A | -3.3364 | |
| 86 | F | A | -0.9958 | |
| 87 | R | A | -1.6496 | |
| 88 | A | A | -1.0442 | |
| 89 | P | A | 0.0767 | |
| 90 | L | A | 0.6834 | |
| 91 | Y | A | 0.0800 | |
| 92 | K | A | -0.9344 | |
| 93 | T | A | -1.5078 | |
| 94 | V | A | -1.5257 | |
| 95 | E | A | -2.7523 | |
| 96 | I | A | -1.5497 | |
| 97 | K | A | -2.2783 | |
| 98 | G | A | -1.6879 | |
| 99 | I | A | -1.1160 | |
| 100 | Q | A | -2.2985 | |
| 101 | V | A | -1.8263 | |
| 102 | R | A | -2.4071 | |
| 103 | M | A | 0.0000 | |
| 104 | K | A | -0.8239 | |
| 105 | W | A | -0.1895 | |
| 106 | C | A | 0.0000 | |
| 107 | A | A | -0.3239 | |
| 108 | T | A | -0.6390 | |
| 109 | C | A | 0.0000 | |
| 110 | R | A | -1.8448 | |
| 111 | F | A | 0.0000 | |
| 112 | Y | A | 0.0000 | |
| 113 | R | A | -0.9399 | |
| 114 | P | A | 0.0000 | |
| 115 | P | A | -0.6477 | |
| 116 | R | A | -0.8001 | |
| 117 | C | A | 0.0000 | |
| 118 | S | A | -0.2366 | |
| 119 | H | A | -0.1839 | |
| 120 | C | A | 0.0000 | |
| 121 | S | A | -0.0289 | |
| 122 | V | A | 0.3750 | |
| 123 | C | A | 0.0300 | |
| 124 | D | A | -0.7152 | |
| 125 | N | A | -0.6733 | |
| 126 | C | A | 0.0000 | |
| 127 | V | A | 0.0000 | |
| 128 | E | A | 0.0000 | |
| 129 | E | A | -0.7418 | |
| 130 | F | A | 0.0000 | |
| 131 | D | A | 0.0000 | |
| 132 | H | A | 0.0000 | |
| 133 | H | A | 0.0170 | |
| 134 | C | A | 0.0808 | |
| 135 | P | A | 0.2383 | |
| 136 | W | A | 0.5372 | |
| 137 | V | A | 0.0000 | |
| 138 | N | A | 0.2974 | |
| 139 | N | A | 0.2492 | |
| 140 | C | A | 0.0000 | |
| 141 | I | A | 0.0000 | |
| 142 | G | A | 0.0000 | |
| 143 | R | A | -1.1976 | |
| 144 | R | A | -1.0818 | |
| 145 | N | A | 0.0000 | |
| 146 | Y | A | -0.3372 | |
| 147 | R | A | -0.5982 | |
| 148 | Y | A | 0.1774 | |
| 149 | F | A | 0.0000 | |
| 150 | F | A | 0.0000 | |
| 151 | L | A | 0.4680 | |
| 152 | F | A | 0.0000 | |
| 153 | L | A | 0.0000 | |
| 154 | L | A | 0.7308 | |
| 155 | S | A | 0.0000 | |
| 156 | L | A | 0.0000 | |
| 157 | T | A | 0.7837 | |
| 158 | A | A | 0.5249 | |
| 159 | H | A | 0.0000 | |
| 160 | I | A | 0.0000 | |
| 161 | M | A | 0.9215 | |
| 162 | G | A | 0.7285 | |
| 163 | V | A | 0.0000 | |
| 164 | F | A | 1.3531 | |
| 165 | G | A | 0.6914 | |
| 166 | F | A | 1.0230 | |
| 167 | G | A | 0.0000 | |
| 168 | L | A | 1.6932 | |
| 169 | L | A | 1.7301 | |
| 170 | Y | A | 0.0000 | |
| 171 | V | A | 0.0000 | |
| 172 | L | A | 2.7538 | |
| 173 | Y | A | 2.1622 | |
| 174 | H | A | 0.7657 | |
| 175 | I | A | 1.4488 | |
| 176 | E | A | -1.2769 | |
| 177 | E | A | -1.4789 | |
| 178 | L | A | 0.2539 | |
| 179 | S | A | -0.2514 | |
| 180 | G | A | -0.1181 | |
| 181 | V | A | 1.2455 | |
| 182 | R | A | 0.0515 | |
| 183 | T | A | 0.0000 | |
| 184 | A | A | 0.5508 | |
| 185 | V | A | 0.9002 | |
| 186 | T | A | 0.0000 | |
| 187 | M | A | 1.1716 | |
| 188 | A | A | 0.7724 | |
| 189 | V | A | 0.0000 | |
| 190 | M | A | 1.5021 | |
| 191 | C | A | 1.8093 | |
| 192 | V | A | 1.8637 | |
| 193 | A | A | 0.0000 | |
| 194 | G | A | 2.0509 | |
| 195 | L | A | 2.6913 | |
| 196 | F | A | 2.1351 | |
| 197 | F | A | 2.4702 | |
| 198 | I | A | 2.8604 | |
| 199 | P | A | 1.5139 | |
| 200 | V | A | 0.0000 | |
| 201 | A | A | 1.3277 | |
| 202 | G | A | 1.2858 | |
| 203 | L | A | 1.4471 | |
| 204 | T | A | 0.0000 | |
| 205 | G | A | 1.0760 | |
| 206 | F | A | 1.8721 | |
| 207 | H | A | 0.0000 | |
| 208 | V | A | 1.9936 | |
| 209 | V | A | 1.9450 | |
| 210 | L | A | 0.0000 | |
| 211 | V | A | 0.0000 | |
| 212 | A | A | 0.1427 | |
| 213 | R | A | -1.3558 | |
| 214 | G | A | -1.0401 | |
| 215 | R | A | -1.1823 | |
| 216 | T | A | 0.0000 | |
| 217 | T | A | 0.0000 | |
| 218 | N | A | -0.3621 | |
| 219 | E | A | 0.0000 | |
| 220 | Q | A | -1.5876 | |
| 221 | V | A | -0.3978 | |
| 222 | T | A | -0.6487 | |
| 223 | G | A | -1.5532 | |
| 224 | K | A | -2.0872 | |
| 225 | F | A | -1.3708 | |
| 226 | R | A | -2.3146 | |
| 227 | G | A | -1.3652 | |
| 228 | G | A | -0.3542 | |
| 229 | V | A | 1.2494 | |
| 230 | N | A | 0.0000 | |
| 231 | P | A | 0.0000 | |
| 232 | F | A | -0.3746 | |
| 233 | T | A | -1.0240 | |
| 234 | N | A | -1.6438 | |
| 235 | G | A | -0.9918 | |
| 236 | C | A | -0.0337 | |
| 237 | C | A | 0.0751 | |
| 238 | N | A | -1.0837 | |
| 239 | N | A | 0.0000 | |
| 240 | V | A | 0.4017 | |
| 241 | S | A | -0.0001 | |
| 242 | R | A | -0.7791 | |
| 243 | V | A | -0.0958 | |
| 244 | L | A | 0.3091 | |
| 245 | C | A | 0.3395 | |
| 246 | S | A | -0.2223 | |
| 247 | S | A | -0.2311 | |
| 248 | P | A | -0.7007 | |
| 249 | A | A | -0.9511 | |
| 250 | P | A | -1.0930 | |
| 251 | R | A | -1.6116 | |
| 252 | Y | A | 0.0000 | |
| 253 | L | A | -0.6753 | |
| 254 | G | A | -1.8419 | |
| 255 | R | A | -2.7695 | |
| 256 | P | A | -2.8057 | |
| 257 | K | A | -4.0020 | |
| 258 | K | A | -4.1958 | |
| 259 | E | A | -3.7354 | |
| 260 | K | A | -2.5164 | |
| 261 | T | A | 0.0767 | |
| 262 | I | A | 2.4311 | |
| 263 | V | A | 2.9361 | |
| 264 | I | A | 2.4597 | |
| 265 | R | A | 0.1368 | |
| 266 | P | A | 0.3674 | |
| 267 | P | A | 0.5154 | |
| 268 | F | A | 1.7037 | |
| 269 | L | A | 0.9348 | |
| 270 | R | A | -0.9140 | |
| 271 | P | A | -0.9813 | |
| 272 | E | A | -1.6113 | |
| 273 | V | A | -0.2160 | |
| 274 | S | A | -1.0505 | |
| 275 | D | A | -1.8326 | |
| 276 | G | A | -1.2873 | |
| 277 | Q | A | -0.9196 | |
| 278 | I | A | 0.2238 | |
| 279 | T | A | 0.5709 | |
| 280 | V | A | 1.0827 | |
| 281 | K | A | -0.3485 | |
| 282 | I | A | 1.4177 | |
| 283 | M | A | 0.9569 | |
| 284 | D | A | -1.3648 | |
| 285 | N | A | -1.4475 | |
| 286 | G | A | -0.5139 | |
| 287 | I | A | 0.4408 | |
| 288 | Q | A | -0.9742 | |
| 289 | G | A | -1.5497 | |
| 290 | E | A | -2.1039 | |
| 291 | L | A | -1.1476 | |
| 292 | R | A | -2.7610 | |
| 293 | R | A | -3.0599 | |
| 294 | T | A | -2.1508 | |
| 295 | K | A | -2.9228 | |
| 296 | S | A | -2.1925 | |
| 297 | K | A | -2.3040 | |
| 298 | G | A | -1.2485 | |
| 299 | S | A | -0.2984 | |
| 300 | L | A | 0.6717 | |
| 301 | E | A | -0.1958 | |
| 302 | I | A | 1.0150 | |
| 303 | T | A | -0.2556 | |
| 304 | E | A | -1.7425 | |
| 305 | S | A | -1.7505 | |
| 306 | Q | A | -1.9912 | |
| 307 | S | A | -1.4796 | |
| 308 | A | A | -1.4172 | |
| 309 | D | A | -2.2854 | |
| 310 | A | A | -1.7792 | |
| 311 | E | A | -2.3747 | |
| 312 | P | A | -1.3222 | |
| 313 | P | A | -1.0395 | |
| 314 | P | A | -1.0786 | |
| 315 | P | A | -1.0387 | |
| 316 | P | A | -1.5571 | |
| 317 | K | A | -2.1943 | |
| 318 | P | A | -1.5462 | |
| 319 | D | A | -1.5413 | |
| 320 | L | A | 0.2884 | |
| 321 | S | A | -0.5241 | |
| 322 | R | A | -1.1514 | |
| 323 | Y | A | 0.4654 | |
| 324 | T | A | -0.0760 | |
| 325 | G | A | -0.5192 | |
| 326 | L | A | 0.4946 | |
| 327 | R | A | -0.8115 | |
| 328 | T | A | -0.3873 | |
| 329 | H | A | -0.1174 | |
| 330 | L | A | 1.1855 | |
| 331 | S | A | 0.5732 | |
| 332 | L | A | 0.9933 | |
| 333 | A | A | 0.2893 | |
| 334 | T | A | -0.7657 | |
| 335 | N | A | -2.3112 | |
| 336 | E | A | -3.2016 | |
| 337 | D | A | -2.9051 | |
| 338 | S | A | -1.3842 | |
| 339 | S | A | 0.0658 | |
| 340 | L | A | 1.8463 | |
| 341 | L | A | 1.6292 | |
| 342 | G | A | -0.6083 | |
| 343 | K | A | -2.4781 | |
| 344 | D | A | -2.8736 | |
| 345 | S | A | -1.5419 | |
| 346 | P | A | -0.8564 | |
| 347 | P | A | -0.5190 | |
| 348 | T | A | -0.2741 | |
| 349 | P | A | -0.1591 | |
| 350 | T | A | 0.3671 | |
| 351 | M | A | 1.3385 | |
| 352 | Y | A | 1.2881 | |
| 353 | K | A | -0.6635 | |
| 354 | Y | A | -0.0491 | |
| 355 | R | A | -1.7344 | |
| 356 | P | A | -0.8216 | |
| 357 | G | A | -0.3342 | |
| 358 | Y | A | 0.6358 | |
| 359 | S | A | 0.1272 | |
| 360 | S | A | -0.2372 | |
| 361 | S | A | -0.4826 | |
| 362 | S | A | -0.4494 | |
| 363 | T | A | -0.3095 | |
| 364 | S | A | -0.2548 | |
| 365 | A | A | 0.1807 | |
| 366 | A | A | 0.5006 | |
| 367 | M | A | 0.7383 | |
| 368 | P | A | -0.1638 | |
| 369 | H | A | -1.0493 | |
| 370 | S | A | -0.9607 | |
| 371 | S | A | -0.6217 | |
| 372 | S | A | -0.6860 | |
| 373 | A | A | -0.6014 | |
| 374 | K | A | -0.9753 | |
| 375 | L | A | 0.1594 | |
| 376 | S | A | -0.8079 | |
| 377 | R | A | -2.2108 | |
| 378 | G | A | -2.4625 | |
| 379 | D | A | -2.2559 | |
| 380 | S | A | -0.9211 | |
| 381 | L | A | -0.2159 | |
| 382 | K | A | -1.8014 | |
| 383 | E | A | -2.4524 | |
| 384 | P | A | -1.6768 | |
| 385 | T | A | -0.2716 | |
| 386 | S | A | 0.6658 | |
| 387 | I | A | 1.5888 | |
| 388 | A | A | 0.0987 | |
| 389 | D | A | -1.5489 | |
| 390 | S | A | -1.6596 | |
| 391 | S | A | -1.7860 | |
| 392 | R | A | -2.5544 | |
| 393 | H | A | -2.1610 | |
| 394 | P | A | -0.9924 | |
| 395 | S | A | -0.2199 | |
| 396 | Y | A | 0.2448 | |
| 397 | R | A | -1.7094 | |
| 398 | S | A | -1.7632 | |
| 399 | E | A | -2.4532 | |
| 400 | P | A | -1.0701 | |
| 401 | S | A | -0.3769 | |
| 402 | L | A | 0.3562 | |
| 403 | E | A | -1.4527 | |
| 404 | P | A | -1.6896 | |
| 405 | E | A | -2.0033 | |
| 406 | S | A | -0.5565 | |
| 407 | F | A | 0.5909 | |
| 408 | R | A | -1.1216 | |
| 409 | S | A | -0.8725 | |
| 410 | P | A | -0.4019 | |
| 411 | T | A | 0.6166 | |
| 412 | F | A | 1.2966 | |
| 413 | G | A | -0.4113 | |
| 414 | K | A | -1.2368 | |
| 415 | S | A | -0.3772 | |
| 416 | F | A | 1.3550 | |
| 417 | H | A | 0.4671 | |
| 418 | F | A | 0.8641 | |
| 419 | D | A | -0.8072 | |
| 420 | P | A | 0.0072 | |
| 421 | L | A | 0.8943 | |
| 422 | S | A | 0.4028 | |
| 423 | S | A | -0.2678 | |
| 424 | G | A | -1.0898 | |
| 425 | S | A | -1.4447 | |
| 426 | R | A | -2.1892 | |
| 427 | S | A | -1.3035 | |
| 428 | S | A | -0.4681 | |
| 429 | S | A | -0.0274 | |
| 430 | L | A | 0.4528 | |
| 431 | K | A | -1.0142 | |
| 432 | S | A | -0.9238 | |
| 433 | A | A | -1.0013 | |
| 434 | Q | A | -1.5484 | |
| 435 | G | A | -1.2924 | |
| 436 | T | A | -0.5970 | |
| 437 | G | A | -0.2354 | |
| 438 | F | A | 0.9983 | |
| 439 | E | A | -0.1804 | |
| 440 | L | A | 0.5923 | |
| 441 | G | A | -0.3539 | |
| 442 | Q | A | -0.5674 | |
| 443 | L | A | 0.2472 | |
| 444 | Q | A | -0.3605 | |
| 445 | S | A | 0.0351 | |
| 446 | I | A | 0.7167 | |
| 447 | R | A | -1.4431 | |
| 448 | S | A | -1.6397 | |
| 449 | E | A | -2.5871 | |
| 450 | G | A | -1.4469 | |
| 451 | T | A | -0.8285 | |
| 452 | T | A | -0.5310 | |
| 453 | S | A | -0.3455 | |
| 454 | T | A | -0.0330 | |
| 455 | S | A | -0.0683 | |
| 456 | Y | A | 0.3071 | |
| 457 | K | A | -0.8656 | |
| 458 | S | A | -0.1337 | |
| 459 | L | A | 0.8160 | |
| 460 | A | A | -0.3618 | |
| 461 | N | A | -1.7145 | |
| 462 | Q | A | -2.4594 | |
| 463 | T | A | -2.1855 | |
| 464 | R | A | -3.0708 | |
| 465 | N | A | -2.4270 | |
| 466 | G | A | -1.2514 | |
| 467 | S | A | -0.0817 | |
| 468 | L | A | 1.3058 | |
| 469 | S | A | 0.7726 | |
| 470 | Y | A | 1.4197 | |
| 471 | D | A | 0.1023 | |
| 472 | S | A | 0.8324 | |
| 473 | L | A | 2.1265 | |
| 474 | L | A | 1.8952 | |
| 475 | T | A | 0.3013 | |
| 476 | P | A | -0.3158 | |
| 477 | S | A | -1.2883 | |
| 478 | D | A | -2.3459 | |
| 479 | S | A | -1.4441 | |
| 480 | P | A | -1.4682 | |
| 481 | D | A | -1.7192 | |
| 482 | F | A | 0.2523 | |
| 483 | E | A | -1.0803 | |
| 484 | S | A | -0.2577 | |
| 485 | V | A | 0.9159 | |
| 486 | Q | A | -0.4770 | |
| 487 | A | A | -0.6648 | |
| 488 | G | A | -1.2354 | |
| 489 | P | A | -1.3992 | |
| 490 | E | A | -2.6277 | |
| 491 | P | A | -2.1137 | |
| 492 | D | A | -2.5299 | |
| 493 | P | A | -1.1977 | |
| 494 | P | A | -0.1268 | |
| 495 | L | A | 1.4351 | |
| 496 | G | A | 0.7847 | |
| 497 | Y | A | 1.3563 | |
| 498 | T | A | 0.2817 | |
| 499 | S | A | 0.4581 | |
| 500 | P | A | 0.9531 | |
| 501 | F | A | 2.4612 | |
| 502 | L | A | 2.2733 | |
| 503 | S | A | 0.9021 | |
| 504 | A | A | -0.0538 | |
| 505 | R | A | -1.2498 | |
| 506 | L | A | 0.2476 | |
| 507 | A | A | -0.7690 | |
| 508 | Q | A | -2.2438 | |
| 509 | Q | A | -2.8658 | |
| 510 | R | A | -3.9014 | |
| 511 | E | A | -3.9134 | |
| 512 | A | A | -2.7172 | |
| 513 | E | A | -3.5795 | |
| 514 | R | A | -3.5513 | |
| 515 | H | A | -2.7738 | |
| 516 | P | A | -1.4878 | |
| 517 | R | A | -1.0830 | |
| 518 | L | A | 1.2708 | |
| 519 | L | A | 1.6866 | |
| 520 | P | A | 0.6628 | |
| 521 | T | A | -0.0152 | |
| 522 | G | A | -0.7192 | |
| 523 | P | A | -1.2010 | |
| 524 | P | A | -1.7699 | |
| 525 | H | A | -2.6203 | |
| 526 | R | A | -3.4222 | |
| 527 | E | A | -3.2106 | |
| 528 | P | A | -2.1818 | |
| 529 | S | A | -1.7386 | |
| 530 | P | A | -0.8313 | |
| 531 | V | A | -0.8468 | |
| 532 | R | A | -2.3840 | |
| 533 | Y | A | -1.7843 | |
| 534 | D | A | -2.6241 | |
| 535 | N | A | -1.9156 | |
| 536 | L | A | 0.0000 | |
| 537 | S | A | 0.0000 | |
| 538 | R | A | -2.8004 | |
| 539 | H | A | -2.1180 | |
| 540 | I | A | 0.0000 | |
| 541 | V | A | -1.9324 | |
| 542 | A | A | -1.8208 | |
| 543 | S | A | -2.0460 | |
| 544 | L | A | 0.0000 | |
| 545 | Q | A | -3.0687 | |
| 546 | E | A | -3.3240 | |
| 547 | R | A | -2.8203 | |
| 548 | E | A | -3.3592 | |
| 549 | K | A | -3.6187 | |
| 550 | L | A | -1.5856 | |
| 551 | L | A | -1.5924 | |
| 552 | R | A | -2.9761 | |
| 553 | Q | A | -2.3024 | |
| 554 | S | A | -1.1271 | |
| 555 | P | A | -0.5739 | |
| 556 | P | A | 0.1449 | |
| 557 | L | A | 0.9975 | |
| 558 | A | A | -0.2402 | |
| 559 | G | A | -1.7343 | |
| 560 | R | A | -3.3863 | |
| 561 | E | A | -4.1741 | |
| 562 | E | A | -4.2011 | |
| 563 | E | A | -3.3922 | |
| 564 | P | A | -1.6689 | |
| 565 | G | A | -0.6644 | |
| 566 | L | A | 0.4720 | |
| 567 | G | A | -0.8465 | |
| 568 | D | A | -1.9177 | |
| 569 | S | A | -0.9208 | |
| 570 | G | A | -0.2936 | |
| 571 | I | A | 1.1304 | |
| 572 | Q | A | -0.4531 | |
| 573 | S | A | -0.5168 | |
| 574 | T | A | -0.6518 | |
| 575 | P | A | -0.6162 | |
| 576 | G | A | -0.8278 | |
| 577 | S | A | -0.9776 | |
| 578 | G | A | -1.2356 | |
| 579 | H | A | -1.3356 | |
| 580 | A | A | -1.0458 | |
| 581 | P | A | -1.3325 | |
| 582 | R | A | -2.0280 | |
| 583 | T | A | -1.1645 | |
| 584 | S | A | -0.7514 | |
| 585 | S | A | -0.4891 | |
| 586 | S | A | -0.8813 | |
| 587 | S | A | -1.6153 | |
| 588 | D | A | -2.8508 | |
| 589 | D | A | -3.1683 | |
| 590 | S | A | -2.7823 | |
| 591 | K | A | -3.2510 | |
| 592 | R | A | -2.9784 | |
| 593 | S | A | -1.3211 | |
| 594 | P | A | -0.0369 | |
| 595 | L | A | 0.9313 | |
| 596 | S | A | -0.2445 | |
| 597 | K | A | -1.5831 | |
| 598 | T | A | -0.8819 | |
| 599 | P | A | 0.0081 | |
| 600 | L | A | 0.7755 | |
| 601 | G | A | -0.5790 | |
| 602 | R | A | -1.8722 | |
| 603 | P | A | -0.9567 | |
| 604 | A | A | 0.2802 | |
| 605 | V | A | 1.2311 | |
| 606 | P | A | 0.1412 | |
| 607 | R | A | -0.7426 | |
| 608 | F | A | 0.3599 | |
| 609 | G | A | -0.6433 | |
| 610 | K | A | -2.0251 | |
| 611 | P | A | -2.1395 | |
| 612 | D | A | -2.2031 | |
| 613 | G | A | -0.9947 | |
| 614 | L | A | 0.0480 | |
| 615 | R | A | -1.6621 | |
| 616 | S | A | -1.8555 | |
| 617 | R | A | -2.2557 | |
| 618 | G | A | -0.9273 | |
| 619 | L | A | 0.6179 | |
| 620 | G | A | 0.1172 | |
| 621 | S | A | -0.6700 | |
| 622 | P | A | -1.3222 | |
| 623 | E | A | -2.2068 | |
| 624 | P | A | -1.4136 | |
| 625 | G | A | -0.9715 | |
| 626 | T | A | -0.4102 | |
| 627 | T | A | -0.2232 | |
| 628 | A | A | 0.1339 | |
| 629 | P | A | 0.7134 | |
| 630 | Y | A | 1.8389 | |
| 631 | L | A | 1.5236 | |
| 632 | G | A | -0.3615 | |
| 633 | R | A | -1.4648 | |
| 634 | S | A | -0.2618 | |
| 635 | I | A | 1.7348 | |
| 636 | S | A | 1.2875 | |
| 637 | Y | A | 1.5115 | |
| 638 | S | A | 0.0367 | |
| 639 | S | A | -1.0820 | |
| 640 | Q | A | -2.2294 | |
| 641 | K | A | -2.4126 | |
| 642 | A | A | -1.3745 | |
| 643 | P | A | -0.8117 | |
| 644 | S | A | -0.1371 | |
| 645 | G | A | 0.2884 | |
| 646 | V | A | 0.9802 | |
| 647 | S | A | -0.3388 | |
| 648 | E | A | -1.9717 | |
| 649 | T | A | -2.2938 | |
| 650 | E | A | -2.7960 | |
| 651 | E | A | -1.8895 | |
| 652 | V | A | 0.8884 | |
| 653 | A | A | 0.8354 | |
| 654 | L | A | 1.5268 | |
| 655 | Q | A | 0.0413 | |
| 656 | P | A | 0.6029 | |
| 657 | L | A | 1.9930 | |
| 658 | L | A | 1.8218 | |
| 659 | T | A | 0.5855 | |
| 660 | P | A | -1.1606 | |
| 661 | K | A | -2.9755 | |
| 662 | D | A | -3.2695 | |
| 663 | E | A | -2.2895 | |
| 664 | V | A | 0.0522 | |
| 665 | Q | A | -0.5845 | |
| 666 | L | A | 0.3440 | |
| 667 | K | A | -0.9712 | |
| 668 | T | A | -0.3558 | |
| 669 | T | A | 0.2182 | |
| 670 | Y | A | 0.6983 | |
| 671 | S | A | -0.3597 | |
| 672 | K | A | -1.9198 | |
| 673 | S | A | -1.8901 | |
| 674 | N | A | -2.2815 | |
| 675 | G | A | -1.7559 | |
| 676 | Q | A | -2.1944 | |
| 677 | P | A | -1.8796 | |
| 678 | K | A | -1.8181 | |
| 679 | S | A | -0.3823 | |
| 680 | I | A | 1.2390 | |
| 681 | G | A | 0.3891 | |
| 682 | S | A | -0.0132 | |
| 683 | A | A | -0.3189 | |
| 684 | S | A | -0.5000 | |
| 685 | P | A | -0.6358 | |
| 686 | G | A | -0.9938 | |
| 687 | P | A | -1.0902 | |
| 688 | G | A | -1.3701 | |
| 689 | Q | A | -1.5351 | |
| 690 | P | A | -0.7806 | |
| 691 | P | A | -0.0596 | |
| 692 | L | A | 1.0447 | |
| 693 | S | A | 0.2675 | |
| 694 | S | A | -0.3735 | |
| 695 | P | A | -0.7972 | |
| 696 | T | A | -1.3548 | |
| 697 | R | A | -2.1810 | |
| 698 | G | A | -1.0797 | |
| 699 | G | A | -0.6771 | |
| 700 | V | A | -0.2464 | |
| 701 | K | A | -1.4535 | |
| 702 | K | A | -2.3970 | |
| 703 | V | A | -0.9671 | |
| 704 | S | A | -0.6519 | |
| 705 | G | A | 0.2265 | |
| 706 | V | A | 1.5490 | |
| 707 | G | A | 0.3274 | |
| 708 | G | A | -0.2848 | |
| 709 | T | A | -0.0665 | |
| 710 | T | A | -0.7273 | |
| 711 | Y | A | -0.8665 | |
| 712 | E | A | -1.9138 | |
| 713 | I | A | -0.5169 | |
| 714 | S | A | 0.0469 | |
| 715 | V | A | 1.3016 |
Calculations for various pH values
This page contains details and comparisons for all models calculated at different pH points.
pH |
Average A3D Score |
Max A3D Score |
|||
| 4.0 | -0.1806 | 5.7352 | View | CSV | PDB |
| 4.5 | -0.2447 | 5.7352 | View | CSV | PDB |
| 5.0 | -0.3252 | 5.7352 | View | CSV | PDB |
| 5.5 | -0.4051 | 5.7352 | View | CSV | PDB |
| 6.0 | -0.4672 | 5.7352 | View | CSV | PDB |
| 6.5 | -0.5014 | 5.7352 | View | CSV | PDB |
| 7.0 | -0.508 | 5.7352 | View | CSV | PDB |
| 7.5 | -0.496 | 5.7351 | View | CSV | PDB |
| 8.0 | -0.4743 | 5.735 | View | CSV | PDB |
| 8.5 | -0.4465 | 5.7347 | View | CSV | PDB |
| 9.0 | -0.4119 | 5.7337 | 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