| Chain sequence(s) | MPAESGKRFKPSKYVPVSAAAIFLVGATTLFFAFTCPGLSLDVSPAVPIYNAIMFLFVLANFSMATFMDPGIFPRAEEDEDKEDDFRAPLYKTVEIKGIQVRMKWCATCRFYRPPRCSHCSVCDNCVEEFDHHCPWVNNCIGRRNYRYFFLFLLSLTAHIMGVFGFGLLYVLCHIEELSGVRTAVTMAVMCVAGLFFIPVAGLTGFHVVLVARGRTTNEQVTGKFRGGVNPFTNGCCNNVSRVLCSSPAPRYLGRPKKEKTIVIRPPFLRPEVSDGQITVKIMDNGIQGELRRTKSKGSLEITESQSADAEPPPPPKPDLSRYTGLRTHLSLATNEDSSLLGKDSPPTPTMYKYRPGYSSSSTSAAMPHSSSAKLSRGDSLKEPTSIADSSRHPSYRSEPSLEPESFRSPTFGKSFHFDPLSSGSRSSSLKSAQGTGFELGQLQSIRSEGTTSTSYKSLANQTRNGSLSYDSLLTPSDSPDFESVQAGPEPDPPLGYTSPFLSARLAQQREAERHPRLLPTGPPHREPSPVRYDNLSRHIVASLQEREKLLRQSPPLAGREEEPGLGDSGIQSTPGSGHAPRTSSSSDDSKRSPLSKTPLGRPAVPRFGKPDGLRGRGLGSPEPGTTAPYLGRSMSYSSQKAPSGVSETEEVALQPLLTPKDEVQLKTTYSKSNGQPKSIGSASPGPGQPPLSSPTRGGVKKVSGVGGTTYEISV 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] (00:00:01)
[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. (00:00:03)
[INFO] FoldX: Starting FoldX energy minimization (00:00:03)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:12:46)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/118dc1eccdc366/tmp/folded.pdb (00:12:46)
[INFO] Main: Simulation completed successfully. (00:23:58)
|
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 | 0.6874 | |
| 2 | P | A | -0.2073 | |
| 3 | A | A | -0.7762 | |
| 4 | E | A | -2.2089 | |
| 5 | S | A | -2.1049 | |
| 6 | G | A | -2.1826 | |
| 7 | K | A | -2.8639 | |
| 8 | R | A | -2.3599 | |
| 9 | F | A | -0.5388 | |
| 10 | K | A | -1.6513 | |
| 11 | P | A | -0.5323 | |
| 12 | S | A | -0.2679 | |
| 13 | K | A | -0.4706 | |
| 14 | Y | A | 0.8121 | |
| 15 | V | A | 1.6094 | |
| 16 | P | A | 1.1376 | |
| 17 | V | A | 1.1236 | |
| 18 | S | A | 1.3531 | |
| 19 | A | A | 1.6240 | |
| 20 | A | A | 0.0000 | |
| 21 | A | A | 1.5642 | |
| 22 | I | A | 2.3565 | |
| 23 | F | A | 1.5533 | |
| 24 | L | A | 0.0000 | |
| 25 | V | A | 1.6386 | |
| 26 | G | A | 1.1630 | |
| 27 | A | A | 1.0488 | |
| 28 | T | A | 0.0000 | |
| 29 | T | A | 0.7684 | |
| 30 | L | A | 1.0448 | |
| 31 | F | A | 0.0000 | |
| 32 | F | A | 0.8288 | |
| 33 | A | A | 0.6321 | |
| 34 | F | A | 0.8135 | |
| 35 | T | A | 0.0000 | |
| 36 | C | A | 0.0000 | |
| 37 | P | A | 0.0584 | |
| 38 | G | A | 0.0789 | |
| 39 | L | A | 0.0000 | |
| 40 | S | A | 0.5478 | |
| 41 | L | A | 0.8435 | |
| 42 | D | A | -0.5335 | |
| 43 | V | A | 0.6560 | |
| 44 | S | A | 0.4819 | |
| 45 | P | A | 0.5864 | |
| 46 | A | A | 1.0215 | |
| 47 | V | A | 0.0000 | |
| 48 | P | A | 1.6073 | |
| 49 | I | A | 3.0064 | |
| 50 | Y | A | 2.6976 | |
| 51 | N | A | 0.0000 | |
| 52 | A | A | 2.8020 | |
| 53 | I | A | 3.8690 | |
| 54 | M | A | 2.7056 | |
| 55 | F | A | 2.5761 | |
| 56 | L | A | 3.0615 | |
| 57 | F | A | 2.7359 | |
| 58 | V | A | 0.0000 | |
| 59 | L | A | 1.6786 | |
| 60 | A | A | 1.1625 | |
| 61 | N | A | 0.0000 | |
| 62 | F | A | 0.0000 | |
| 63 | S | A | 0.8764 | |
| 64 | M | A | 0.9091 | |
| 65 | A | A | 0.0000 | |
| 66 | T | A | 0.9900 | |
| 67 | F | A | 2.0143 | |
| 68 | M | A | 1.1654 | |
| 69 | D | A | 0.0579 | |
| 70 | P | A | 0.0000 | |
| 71 | G | A | 0.0000 | |
| 72 | I | A | -0.3066 | |
| 73 | F | A | -0.1413 | |
| 74 | P | A | -0.7520 | |
| 75 | R | A | -1.9891 | |
| 76 | A | A | -2.8989 | |
| 77 | E | A | -4.2058 | |
| 78 | E | A | -4.7943 | |
| 79 | D | A | -4.9279 | |
| 80 | E | A | -5.1478 | |
| 81 | D | A | -4.6388 | |
| 82 | K | A | -4.6719 | |
| 83 | E | A | -4.2817 | |
| 84 | D | A | -3.6965 | |
| 85 | D | A | -3.2272 | |
| 86 | F | A | -0.7168 | |
| 87 | R | A | -1.7738 | |
| 88 | A | A | -1.1412 | |
| 89 | P | A | -0.2055 | |
| 90 | L | A | 0.9408 | |
| 91 | Y | A | 0.0914 | |
| 92 | K | A | -1.0654 | |
| 93 | T | A | -1.5252 | |
| 94 | V | A | -1.2383 | |
| 95 | E | A | -2.4569 | |
| 96 | I | A | -1.3886 | |
| 97 | K | A | -2.1314 | |
| 98 | G | A | -1.6074 | |
| 99 | I | A | -1.0324 | |
| 100 | Q | A | -2.1620 | |
| 101 | V | A | -1.6177 | |
| 102 | R | A | -1.9455 | |
| 103 | M | A | -0.9921 | |
| 104 | K | A | -0.6451 | |
| 105 | W | A | 0.0022 | |
| 106 | C | A | 0.0000 | |
| 107 | A | A | -0.3348 | |
| 108 | T | A | -0.6973 | |
| 109 | C | A | 0.0000 | |
| 110 | R | A | -2.1190 | |
| 111 | F | A | -0.9034 | |
| 112 | Y | A | -0.1993 | |
| 113 | R | A | -0.7419 | |
| 114 | P | A | -0.5528 | |
| 115 | P | A | -0.6788 | |
| 116 | R | A | -0.7923 | |
| 117 | C | A | 0.0000 | |
| 118 | S | A | -0.4897 | |
| 119 | H | A | -0.3462 | |
| 120 | C | A | 0.0000 | |
| 121 | S | A | -0.0326 | |
| 122 | V | A | 0.6927 | |
| 123 | C | A | 0.1995 | |
| 124 | D | A | -0.5889 | |
| 125 | N | A | -0.6048 | |
| 126 | C | A | 0.0000 | |
| 127 | V | A | 0.0000 | |
| 128 | E | A | -0.6899 | |
| 129 | E | A | -0.8196 | |
| 130 | F | A | -0.4039 | |
| 131 | D | A | 0.0000 | |
| 132 | H | A | -0.2883 | |
| 133 | H | A | -0.0943 | |
| 134 | C | A | -0.0521 | |
| 135 | P | A | 0.1253 | |
| 136 | W | A | 0.4943 | |
| 137 | V | A | 0.0000 | |
| 138 | N | A | 0.2600 | |
| 139 | N | A | 0.2401 | |
| 140 | C | A | 0.0000 | |
| 141 | I | A | 0.0000 | |
| 142 | G | A | 0.0000 | |
| 143 | R | A | -1.4046 | |
| 144 | R | A | -1.2124 | |
| 145 | N | A | 0.0000 | |
| 146 | Y | A | -0.2606 | |
| 147 | R | A | -0.3049 | |
| 148 | Y | A | 0.2745 | |
| 149 | F | A | 0.0000 | |
| 150 | F | A | 0.0000 | |
| 151 | L | A | 0.6811 | |
| 152 | F | A | 0.0000 | |
| 153 | L | A | 0.0000 | |
| 154 | L | A | 0.7861 | |
| 155 | S | A | 0.0000 | |
| 156 | L | A | 0.0000 | |
| 157 | T | A | 0.7124 | |
| 158 | A | A | 0.5399 | |
| 159 | H | A | 0.0000 | |
| 160 | I | A | 0.0000 | |
| 161 | M | A | 0.9625 | |
| 162 | G | A | 0.7584 | |
| 163 | V | A | 0.0000 | |
| 164 | F | A | 1.3918 | |
| 165 | G | A | 0.7645 | |
| 166 | F | A | 1.1256 | |
| 167 | G | A | 0.0000 | |
| 168 | L | A | 1.7207 | |
| 169 | L | A | 1.8087 | |
| 170 | Y | A | 0.0000 | |
| 171 | V | A | 0.0000 | |
| 172 | L | A | 2.4233 | |
| 173 | C | A | 1.3552 | |
| 174 | H | A | 0.3783 | |
| 175 | I | A | 0.9586 | |
| 176 | E | A | -1.5086 | |
| 177 | E | A | -1.6057 | |
| 178 | L | A | 0.0850 | |
| 179 | S | A | -0.2334 | |
| 180 | G | A | -0.0574 | |
| 181 | V | A | 1.3021 | |
| 182 | R | A | 0.0977 | |
| 183 | T | A | 0.0000 | |
| 184 | A | A | 0.5813 | |
| 185 | V | A | 0.9213 | |
| 186 | T | A | 0.0000 | |
| 187 | M | A | 1.1972 | |
| 188 | A | A | 0.7782 | |
| 189 | V | A | 0.0000 | |
| 190 | M | A | 1.5115 | |
| 191 | C | A | 1.7906 | |
| 192 | V | A | 1.8434 | |
| 193 | A | A | 0.0000 | |
| 194 | G | A | 1.9766 | |
| 195 | L | A | 2.6230 | |
| 196 | F | A | 2.0325 | |
| 197 | F | A | 2.2492 | |
| 198 | I | A | 2.4860 | |
| 199 | P | A | 1.1447 | |
| 200 | V | A | 0.0000 | |
| 201 | A | A | 0.9084 | |
| 202 | G | A | 0.7174 | |
| 203 | L | A | 1.1886 | |
| 204 | T | A | 0.0000 | |
| 205 | G | A | 0.8962 | |
| 206 | F | A | 1.6916 | |
| 207 | H | A | 0.0000 | |
| 208 | V | A | 1.8483 | |
| 209 | V | A | 2.0551 | |
| 210 | L | A | 0.0000 | |
| 211 | V | A | 0.0000 | |
| 212 | A | A | 0.1377 | |
| 213 | R | A | -1.3498 | |
| 214 | G | A | -0.9476 | |
| 215 | R | A | -1.1248 | |
| 216 | T | A | 0.0000 | |
| 217 | T | A | 0.1393 | |
| 218 | N | A | -0.1104 | |
| 219 | E | A | 0.0000 | |
| 220 | Q | A | -0.6812 | |
| 221 | V | A | 1.0012 | |
| 222 | T | A | -0.0328 | |
| 223 | G | A | -0.9454 | |
| 224 | K | A | -1.5196 | |
| 225 | F | A | -1.2929 | |
| 226 | R | A | -2.0994 | |
| 227 | G | A | -1.3635 | |
| 228 | G | A | -0.3639 | |
| 229 | V | A | 1.2409 | |
| 230 | N | A | 0.0000 | |
| 231 | P | A | 0.0000 | |
| 232 | F | A | -0.3990 | |
| 233 | T | A | -0.9600 | |
| 234 | N | A | -1.6900 | |
| 235 | G | A | -0.9308 | |
| 236 | C | A | 0.1092 | |
| 237 | C | A | 0.1650 | |
| 238 | N | A | -0.9046 | |
| 239 | N | A | 0.0000 | |
| 240 | V | A | 0.4204 | |
| 241 | S | A | 0.1808 | |
| 242 | R | A | -0.5195 | |
| 243 | V | A | 0.1206 | |
| 244 | L | A | 0.6396 | |
| 245 | C | A | 0.5421 | |
| 246 | S | A | -0.0338 | |
| 247 | S | A | -0.2987 | |
| 248 | P | A | -0.8290 | |
| 249 | A | A | -0.9570 | |
| 250 | P | A | -1.2558 | |
| 251 | R | A | -1.8197 | |
| 252 | Y | A | -0.7326 | |
| 253 | L | A | -0.9178 | |
| 254 | G | A | -1.6825 | |
| 255 | R | A | -3.0009 | |
| 256 | P | A | -2.7544 | |
| 257 | K | A | -3.9424 | |
| 258 | K | A | -4.2422 | |
| 259 | E | A | -3.7656 | |
| 260 | K | A | -2.4745 | |
| 261 | T | A | 0.0962 | |
| 262 | I | A | 2.4015 | |
| 263 | V | A | 2.9134 | |
| 264 | I | A | 2.4956 | |
| 265 | R | A | 0.3239 | |
| 266 | P | A | 0.4310 | |
| 267 | P | A | 0.5493 | |
| 268 | F | A | 1.6890 | |
| 269 | L | A | 0.7635 | |
| 270 | R | A | -1.1596 | |
| 271 | P | A | -1.3108 | |
| 272 | E | A | -2.3547 | |
| 273 | V | A | -1.5048 | |
| 274 | S | A | -1.7487 | |
| 275 | D | A | -2.1666 | |
| 276 | G | A | -1.5134 | |
| 277 | Q | A | -1.4089 | |
| 278 | I | A | -0.1067 | |
| 279 | T | A | 0.3899 | |
| 280 | V | A | 0.9886 | |
| 281 | K | A | -0.3755 | |
| 282 | I | A | 1.4503 | |
| 283 | M | A | 0.9567 | |
| 284 | D | A | -1.3295 | |
| 285 | N | A | -1.3846 | |
| 286 | G | A | -0.3889 | |
| 287 | I | A | 0.9039 | |
| 288 | Q | A | -0.9471 | |
| 289 | G | A | -1.1599 | |
| 290 | E | A | -1.9818 | |
| 291 | L | A | -0.8712 | |
| 292 | R | A | -2.4385 | |
| 293 | R | A | -2.7807 | |
| 294 | T | A | -2.2027 | |
| 295 | K | A | -2.6202 | |
| 296 | S | A | -2.1031 | |
| 297 | K | A | -2.3237 | |
| 298 | G | A | -1.3023 | |
| 299 | S | A | -0.4408 | |
| 300 | L | A | 0.7300 | |
| 301 | E | A | -0.2164 | |
| 302 | I | A | 1.0170 | |
| 303 | T | A | -0.2891 | |
| 304 | E | A | -1.7928 | |
| 305 | S | A | -1.5299 | |
| 306 | Q | A | -2.0285 | |
| 307 | S | A | -1.4177 | |
| 308 | A | A | -1.3402 | |
| 309 | D | A | -2.3747 | |
| 310 | A | A | -1.7828 | |
| 311 | E | A | -2.4168 | |
| 312 | P | A | -1.5142 | |
| 313 | P | A | -1.0433 | |
| 314 | P | A | -1.1293 | |
| 315 | P | A | -1.0622 | |
| 316 | P | A | -1.5798 | |
| 317 | K | A | -2.2211 | |
| 318 | P | A | -1.5587 | |
| 319 | D | A | -1.6292 | |
| 320 | L | A | 0.2781 | |
| 321 | S | A | -0.5217 | |
| 322 | R | A | -1.1436 | |
| 323 | Y | A | 0.4657 | |
| 324 | T | A | -0.2924 | |
| 325 | G | A | -0.4374 | |
| 326 | L | A | 0.4923 | |
| 327 | R | A | -0.7491 | |
| 328 | T | A | -0.3753 | |
| 329 | H | A | -0.0666 | |
| 330 | L | A | 1.1452 | |
| 331 | S | A | 0.4856 | |
| 332 | L | A | 0.8524 | |
| 333 | A | A | 0.3208 | |
| 334 | T | A | -0.7618 | |
| 335 | N | A | -2.3542 | |
| 336 | E | A | -3.1928 | |
| 337 | D | A | -2.9973 | |
| 338 | S | A | -1.0473 | |
| 339 | S | A | -0.2361 | |
| 340 | L | A | 1.6344 | |
| 341 | L | A | 1.6121 | |
| 342 | G | A | -0.6440 | |
| 343 | K | A | -2.3335 | |
| 344 | D | A | -2.8708 | |
| 345 | S | A | -1.6692 | |
| 346 | P | A | -0.9327 | |
| 347 | P | A | -0.5236 | |
| 348 | T | A | -0.4194 | |
| 349 | P | A | -0.0629 | |
| 350 | T | A | 0.3646 | |
| 351 | M | A | 1.2978 | |
| 352 | Y | A | 1.1215 | |
| 353 | K | A | -0.5929 | |
| 354 | Y | A | 0.0269 | |
| 355 | R | A | -1.5214 | |
| 356 | P | A | -0.6728 | |
| 357 | G | A | -0.2857 | |
| 358 | Y | A | 0.6467 | |
| 359 | S | A | 0.2395 | |
| 360 | S | A | -0.2355 | |
| 361 | S | A | -0.4794 | |
| 362 | S | A | -0.4441 | |
| 363 | T | A | -0.3082 | |
| 364 | S | A | -0.2532 | |
| 365 | A | A | 0.1818 | |
| 366 | A | A | 0.5020 | |
| 367 | M | A | 0.7308 | |
| 368 | P | A | -0.2033 | |
| 369 | H | A | -1.0233 | |
| 370 | S | A | -0.9168 | |
| 371 | S | A | -0.6033 | |
| 372 | S | A | -0.6958 | |
| 373 | A | A | -0.6734 | |
| 374 | K | A | -1.0281 | |
| 375 | L | A | 0.2593 | |
| 376 | S | A | -0.6809 | |
| 377 | R | A | -2.3249 | |
| 378 | G | A | -2.5119 | |
| 379 | D | A | -2.3943 | |
| 380 | S | A | -1.1797 | |
| 381 | L | A | -0.3111 | |
| 382 | K | A | -1.9672 | |
| 383 | E | A | -2.4407 | |
| 384 | P | A | -1.6990 | |
| 385 | T | A | -0.2270 | |
| 386 | S | A | 0.7920 | |
| 387 | I | A | 1.5430 | |
| 388 | A | A | 0.0258 | |
| 389 | D | A | -1.4923 | |
| 390 | S | A | -1.5651 | |
| 391 | S | A | -1.8510 | |
| 392 | R | A | -2.5380 | |
| 393 | H | A | -2.1210 | |
| 394 | P | A | -1.0564 | |
| 395 | S | A | -0.2860 | |
| 396 | Y | A | 0.2330 | |
| 397 | R | A | -1.7527 | |
| 398 | S | A | -1.8752 | |
| 399 | E | A | -2.4722 | |
| 400 | P | A | -0.9248 | |
| 401 | S | A | -0.3729 | |
| 402 | L | A | 0.2535 | |
| 403 | E | A | -1.6254 | |
| 404 | P | A | -1.7232 | |
| 405 | E | A | -1.8381 | |
| 406 | S | A | -0.5821 | |
| 407 | F | A | 0.5030 | |
| 408 | R | A | -1.1107 | |
| 409 | S | A | -0.8500 | |
| 410 | P | A | -0.3776 | |
| 411 | T | A | 0.5970 | |
| 412 | F | A | 1.3042 | |
| 413 | G | A | -0.4148 | |
| 414 | K | A | -1.2481 | |
| 415 | S | A | -0.3596 | |
| 416 | F | A | 1.3933 | |
| 417 | H | A | 0.4987 | |
| 418 | F | A | 0.7881 | |
| 419 | D | A | -0.7867 | |
| 420 | P | A | -0.0137 | |
| 421 | L | A | 0.9220 | |
| 422 | S | A | 0.2802 | |
| 423 | S | A | -0.2771 | |
| 424 | G | A | -1.0825 | |
| 425 | S | A | -1.4078 | |
| 426 | R | A | -2.1898 | |
| 427 | S | A | -1.3445 | |
| 428 | S | A | -0.4809 | |
| 429 | S | A | 0.0447 | |
| 430 | L | A | 0.5358 | |
| 431 | K | A | -1.0811 | |
| 432 | S | A | -0.9963 | |
| 433 | A | A | -1.0931 | |
| 434 | Q | A | -1.4934 | |
| 435 | G | A | -1.2827 | |
| 436 | T | A | -0.3832 | |
| 437 | G | A | -0.0325 | |
| 438 | F | A | 1.1231 | |
| 439 | E | A | -0.2957 | |
| 440 | L | A | 0.5125 | |
| 441 | G | A | -0.3480 | |
| 442 | Q | A | -0.5673 | |
| 443 | L | A | 0.2490 | |
| 444 | Q | A | -0.4022 | |
| 445 | S | A | 0.0281 | |
| 446 | I | A | 0.7367 | |
| 447 | R | A | -1.4480 | |
| 448 | S | A | -1.6748 | |
| 449 | E | A | -2.5868 | |
| 450 | G | A | -1.4344 | |
| 451 | T | A | -0.8142 | |
| 452 | T | A | -0.5117 | |
| 453 | S | A | -0.1909 | |
| 454 | T | A | -0.1989 | |
| 455 | S | A | -0.1495 | |
| 456 | Y | A | 0.5149 | |
| 457 | K | A | -0.9092 | |
| 458 | S | A | -0.1756 | |
| 459 | L | A | 0.7322 | |
| 460 | A | A | -0.3568 | |
| 461 | N | A | -1.7329 | |
| 462 | Q | A | -2.2486 | |
| 463 | T | A | -2.2454 | |
| 464 | R | A | -3.1163 | |
| 465 | N | A | -2.4530 | |
| 466 | G | A | -1.4233 | |
| 467 | S | A | -0.0501 | |
| 468 | L | A | 1.2713 | |
| 469 | S | A | 0.6802 | |
| 470 | Y | A | 1.2621 | |
| 471 | D | A | -0.1694 | |
| 472 | S | A | 0.6751 | |
| 473 | L | A | 2.2964 | |
| 474 | L | A | 1.8166 | |
| 475 | T | A | 0.2156 | |
| 476 | P | A | -0.3335 | |
| 477 | S | A | -1.1281 | |
| 478 | D | A | -2.3758 | |
| 479 | S | A | -1.4679 | |
| 480 | P | A | -1.3053 | |
| 481 | D | A | -1.7310 | |
| 482 | F | A | 0.0528 | |
| 483 | E | A | -1.0384 | |
| 484 | S | A | -0.3373 | |
| 485 | V | A | 0.6905 | |
| 486 | Q | A | -0.4541 | |
| 487 | A | A | -0.4591 | |
| 488 | G | A | -1.1719 | |
| 489 | P | A | -1.4017 | |
| 490 | E | A | -2.5885 | |
| 491 | P | A | -2.2655 | |
| 492 | D | A | -2.4977 | |
| 493 | P | A | -0.9963 | |
| 494 | P | A | -0.0961 | |
| 495 | L | A | 1.4242 | |
| 496 | G | A | 0.8047 | |
| 497 | Y | A | 1.3152 | |
| 498 | T | A | 0.5012 | |
| 499 | S | A | 0.6151 | |
| 500 | P | A | 1.0779 | |
| 501 | F | A | 2.4595 | |
| 502 | L | A | 1.9758 | |
| 503 | S | A | 0.7664 | |
| 504 | A | A | 0.0049 | |
| 505 | R | A | -1.2708 | |
| 506 | L | A | 0.0678 | |
| 507 | A | A | -0.9546 | |
| 508 | Q | A | -2.4491 | |
| 509 | Q | A | -2.9703 | |
| 510 | R | A | -3.7781 | |
| 511 | E | A | -3.8339 | |
| 512 | A | A | -2.8307 | |
| 513 | E | A | -3.5709 | |
| 514 | R | A | -3.4612 | |
| 515 | H | A | -2.8651 | |
| 516 | P | A | -1.8354 | |
| 517 | R | A | -1.0825 | |
| 518 | L | A | 1.2550 | |
| 519 | L | A | 1.7172 | |
| 520 | P | A | 0.4287 | |
| 521 | T | A | -0.1792 | |
| 522 | G | A | -0.8437 | |
| 523 | P | A | -1.1371 | |
| 524 | P | A | -1.6020 | |
| 525 | H | A | -2.5631 | |
| 526 | R | A | -3.3905 | |
| 527 | E | A | -3.1851 | |
| 528 | P | A | -1.5747 | |
| 529 | S | A | -0.9827 | |
| 530 | P | A | -0.1908 | |
| 531 | V | A | 0.6362 | |
| 532 | R | A | -1.3744 | |
| 533 | Y | A | -0.7164 | |
| 534 | D | A | -2.4350 | |
| 535 | N | A | -2.1747 | |
| 536 | L | A | -0.8832 | |
| 537 | S | A | -1.0905 | |
| 538 | R | A | -2.0282 | |
| 539 | H | A | -1.0951 | |
| 540 | I | A | 0.4915 | |
| 541 | V | A | -0.5609 | |
| 542 | A | A | -1.1626 | |
| 543 | S | A | -1.4591 | |
| 544 | L | A | -1.1983 | |
| 545 | Q | A | -2.0815 | |
| 546 | E | A | -3.2092 | |
| 547 | R | A | -3.1837 | |
| 548 | E | A | -2.8274 | |
| 549 | K | A | -3.2925 | |
| 550 | L | A | -1.3784 | |
| 551 | L | A | -0.8715 | |
| 552 | R | A | -2.6537 | |
| 553 | Q | A | -2.1020 | |
| 554 | S | A | -0.7204 | |
| 555 | P | A | -0.3612 | |
| 556 | P | A | 0.0886 | |
| 557 | L | A | 1.0277 | |
| 558 | A | A | -0.2531 | |
| 559 | G | A | -1.5846 | |
| 560 | R | A | -3.5063 | |
| 561 | E | A | -4.1853 | |
| 562 | E | A | -4.2509 | |
| 563 | E | A | -3.4332 | |
| 564 | P | A | -1.7502 | |
| 565 | G | A | -0.6599 | |
| 566 | L | A | 0.4496 | |
| 567 | G | A | -0.8425 | |
| 568 | D | A | -1.8922 | |
| 569 | S | A | -0.9534 | |
| 570 | G | A | -0.2790 | |
| 571 | I | A | 1.1162 | |
| 572 | Q | A | -0.4404 | |
| 573 | S | A | -0.5187 | |
| 574 | T | A | -0.6375 | |
| 575 | P | A | -0.6027 | |
| 576 | G | A | -0.8263 | |
| 577 | S | A | -0.9612 | |
| 578 | G | A | -1.1427 | |
| 579 | H | A | -1.2895 | |
| 580 | A | A | -1.0302 | |
| 581 | P | A | -1.3157 | |
| 582 | R | A | -2.0637 | |
| 583 | T | A | -1.2937 | |
| 584 | S | A | -0.8568 | |
| 585 | S | A | -0.6860 | |
| 586 | S | A | -0.8434 | |
| 587 | S | A | -1.6020 | |
| 588 | D | A | -2.9799 | |
| 589 | D | A | -3.2760 | |
| 590 | S | A | -2.7163 | |
| 591 | K | A | -3.2408 | |
| 592 | R | A | -3.0018 | |
| 593 | S | A | -1.2685 | |
| 594 | P | A | -0.0831 | |
| 595 | L | A | 0.8501 | |
| 596 | S | A | -0.2228 | |
| 597 | K | A | -1.5294 | |
| 598 | T | A | -0.6047 | |
| 599 | P | A | -0.0342 | |
| 600 | L | A | 0.7929 | |
| 601 | G | A | -0.6992 | |
| 602 | R | A | -1.6655 | |
| 603 | P | A | -0.8301 | |
| 604 | A | A | 0.0021 | |
| 605 | V | A | 0.9659 | |
| 606 | P | A | 0.0688 | |
| 607 | R | A | -0.6872 | |
| 608 | F | A | 0.2971 | |
| 609 | G | A | -0.8672 | |
| 610 | K | A | -2.1188 | |
| 611 | P | A | -1.7907 | |
| 612 | D | A | -2.4818 | |
| 613 | G | A | -1.1929 | |
| 614 | L | A | -0.1218 | |
| 615 | R | A | -2.0209 | |
| 616 | G | A | -2.0317 | |
| 617 | R | A | -2.3812 | |
| 618 | G | A | -0.8219 | |
| 619 | L | A | 0.6839 | |
| 620 | G | A | 0.0175 | |
| 621 | S | A | -0.6320 | |
| 622 | P | A | -1.3861 | |
| 623 | E | A | -2.1975 | |
| 624 | P | A | -1.4324 | |
| 625 | G | A | -0.9935 | |
| 626 | T | A | -0.3718 | |
| 627 | T | A | -0.2329 | |
| 628 | A | A | 0.1533 | |
| 629 | P | A | 0.6523 | |
| 630 | Y | A | 1.8427 | |
| 631 | L | A | 1.4411 | |
| 632 | G | A | -0.3806 | |
| 633 | R | A | -1.6006 | |
| 634 | S | A | -0.5879 | |
| 635 | M | A | 0.7717 | |
| 636 | S | A | 0.8623 | |
| 637 | Y | A | 1.2975 | |
| 638 | S | A | 0.0379 | |
| 639 | S | A | -0.9901 | |
| 640 | Q | A | -2.2619 | |
| 641 | K | A | -2.4309 | |
| 642 | A | A | -1.1722 | |
| 643 | P | A | -0.7587 | |
| 644 | S | A | -0.1632 | |
| 645 | G | A | 0.2790 | |
| 646 | V | A | 1.0114 | |
| 647 | S | A | -0.4845 | |
| 648 | E | A | -1.9795 | |
| 649 | T | A | -2.3559 | |
| 650 | E | A | -2.7656 | |
| 651 | E | A | -1.8520 | |
| 652 | V | A | 0.9012 | |
| 653 | A | A | 1.0840 | |
| 654 | L | A | 1.2648 | |
| 655 | Q | A | -0.2542 | |
| 656 | P | A | 0.5355 | |
| 657 | L | A | 2.0492 | |
| 658 | L | A | 2.2605 | |
| 659 | T | A | 0.4098 | |
| 660 | P | A | -1.2547 | |
| 661 | K | A | -3.1112 | |
| 662 | D | A | -3.1603 | |
| 663 | E | A | -2.4759 | |
| 664 | V | A | 0.1420 | |
| 665 | Q | A | -0.4092 | |
| 666 | L | A | 0.5576 | |
| 667 | K | A | -1.1023 | |
| 668 | T | A | -0.2989 | |
| 669 | T | A | 0.2882 | |
| 670 | Y | A | 0.8189 | |
| 671 | S | A | -0.4467 | |
| 672 | K | A | -1.9188 | |
| 673 | S | A | -1.8101 | |
| 674 | N | A | -2.2242 | |
| 675 | G | A | -1.7588 | |
| 676 | Q | A | -2.1879 | |
| 677 | P | A | -1.7882 | |
| 678 | K | A | -1.8164 | |
| 679 | S | A | -0.1213 | |
| 680 | I | A | 1.2472 | |
| 681 | G | A | 0.2641 | |
| 682 | S | A | -0.0471 | |
| 683 | A | A | -0.2905 | |
| 684 | S | A | -0.4378 | |
| 685 | P | A | -0.6234 | |
| 686 | G | A | -0.8472 | |
| 687 | P | A | -1.0322 | |
| 688 | G | A | -1.3109 | |
| 689 | Q | A | -1.6466 | |
| 690 | P | A | -0.7313 | |
| 691 | P | A | 0.0600 | |
| 692 | L | A | 1.1882 | |
| 693 | S | A | 0.2931 | |
| 694 | S | A | -0.4051 | |
| 695 | P | A | -0.7914 | |
| 696 | T | A | -1.3414 | |
| 697 | R | A | -1.8869 | |
| 698 | G | A | -0.7418 | |
| 699 | G | A | -0.2588 | |
| 700 | V | A | 0.6157 | |
| 701 | K | A | -0.9506 | |
| 702 | K | A | -1.7317 | |
| 703 | V | A | 0.1147 | |
| 704 | S | A | -0.0003 | |
| 705 | G | A | 0.4723 | |
| 706 | V | A | 1.2875 | |
| 707 | G | A | 0.0170 | |
| 708 | G | A | -0.1199 | |
| 709 | T | A | 0.2290 | |
| 710 | T | A | -0.0343 | |
| 711 | Y | A | 0.1735 | |
| 712 | E | A | -1.1338 | |
| 713 | I | A | 0.2399 | |
| 714 | S | A | 0.4450 | |
| 715 | V | A | 1.3438 |
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 | -0.1643 | 5.7017 | View | CSV | PDB |
| 4.5 | -0.2318 | 5.7017 | View | CSV | PDB |
| 5.0 | -0.3155 | 5.7017 | View | CSV | PDB |
| 5.5 | -0.399 | 5.7017 | View | CSV | PDB |
| 6.0 | -0.4651 | 5.7017 | View | CSV | PDB |
| 6.5 | -0.5023 | 5.7016 | View | CSV | PDB |
| 7.0 | -0.5109 | 5.7016 | View | CSV | PDB |
| 7.5 | -0.5001 | 5.7016 | View | CSV | PDB |
| 8.0 | -0.479 | 5.7015 | View | CSV | PDB |
| 8.5 | -0.4505 | 5.7012 | View | CSV | PDB |
| 9.0 | -0.4139 | 5.7001 | 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