| Chain sequence(s) | MDGSGPFSCPICLEPLREPVTLPCGHNFCLACLGALWPHRSAGGTGGSGGPARCPLCQEPFPDGLQLRKNHTLSELLQLRQGSSPGPMSAPAPGSARGATPEPSAPSAPPPAPEPSAPCAPEPWPAGEEPVRCDACPEGAALPAALSCLSCLASFCSAHLAPHERSPALRGHRLVPPLRRLEESLCPRHLRPLERYCRVERVCLCEACATQEHRGHELVPLEQERALQEVEQSKVLSAVEDRMDELGAGIAQSRRTVALIKSAAVAERERVSQMFAEATASLQSFQTEVLGFIEEGEAAMLGRSQGDLRRQEEQRSRLSRARHNLSQVPEADSVSFLQELLALRLALEEGCGPGPGPPRELSFTKSSQAVRAVRDILVSACASQWEQLRGLGSGEDELQKLGSEADVESQDPDSTNLLESEAPRDYFLKFAYIVDLDSDTADKFLQLFGTKGVKRVLCPINYPESPTRFTHCEQVLGEGALDRGTYYWEVEIIEGWVSVGVMAEGFSPQEPYDRGRLGRNAHSCCLQWNGRGYSVWFCGLEAPLPHAFSPTVGVCLEYADHALAFYAVREGKLSLLRRLKASRPRRSGALASPTDPFQSRLDSHFSGLFNYRLKPAFFLESVDAHLQIGPLKKSCISVLKRR 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 (00:08:26)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/568041fccadfa6/tmp/folded.pdb (00:08:26)
[INFO] Main: Simulation completed successfully. (00:11:04)
|
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 | -0.1692 | |
| 2 | D | A | -1.3267 | |
| 3 | G | A | -1.1619 | |
| 4 | S | A | -0.6901 | |
| 5 | G | A | -0.6862 | |
| 6 | P | A | -0.3670 | |
| 7 | F | A | -0.1622 | |
| 8 | S | A | -0.4120 | |
| 9 | C | A | 0.0000 | |
| 10 | P | A | 0.6498 | |
| 11 | I | A | 1.2748 | |
| 12 | C | A | 0.8780 | |
| 13 | L | A | 0.7598 | |
| 14 | E | A | -1.1234 | |
| 15 | P | A | -1.2740 | |
| 16 | L | A | 0.0000 | |
| 17 | R | A | -2.9679 | |
| 18 | E | A | -3.4939 | |
| 19 | P | A | 0.0000 | |
| 20 | V | A | 0.0000 | |
| 21 | T | A | -0.8869 | |
| 22 | L | A | 0.0000 | |
| 23 | P | A | -0.6052 | |
| 24 | C | A | -0.7297 | |
| 25 | G | A | -0.5948 | |
| 26 | H | A | -0.4693 | |
| 27 | N | A | -0.6092 | |
| 28 | F | A | 0.0000 | |
| 29 | C | A | 0.0000 | |
| 30 | L | A | -1.2692 | |
| 31 | A | A | -0.2291 | |
| 32 | C | A | 0.2490 | |
| 33 | L | A | 0.0000 | |
| 34 | G | A | 0.0631 | |
| 35 | A | A | 0.3422 | |
| 36 | L | A | 0.9292 | |
| 37 | W | A | 0.0428 | |
| 38 | P | A | -0.5921 | |
| 39 | H | A | -1.5312 | |
| 40 | R | A | -1.6305 | |
| 41 | S | A | -1.0989 | |
| 42 | A | A | -0.9261 | |
| 43 | G | A | -1.0362 | |
| 44 | G | A | -1.3061 | |
| 45 | T | A | -0.9123 | |
| 46 | G | A | -1.1930 | |
| 47 | G | A | -1.2800 | |
| 48 | S | A | -0.9022 | |
| 49 | G | A | -1.3301 | |
| 50 | G | A | -1.3894 | |
| 51 | P | A | -1.8010 | |
| 52 | A | A | 0.0000 | |
| 53 | R | A | -2.5614 | |
| 54 | C | A | 0.0000 | |
| 55 | P | A | -0.3188 | |
| 56 | L | A | 0.3183 | |
| 57 | C | A | -0.4983 | |
| 58 | Q | A | -2.0069 | |
| 59 | E | A | -2.4211 | |
| 60 | P | A | -2.1822 | |
| 61 | F | A | 0.0000 | |
| 62 | P | A | -1.5574 | |
| 63 | D | A | -2.5756 | |
| 64 | G | A | -1.6867 | |
| 65 | L | A | -1.2898 | |
| 66 | Q | A | -2.0212 | |
| 67 | L | A | -1.5809 | |
| 68 | R | A | -2.9508 | |
| 69 | K | A | -3.1723 | |
| 70 | N | A | -2.3348 | |
| 71 | H | A | -2.2867 | |
| 72 | T | A | -1.1712 | |
| 73 | L | A | -1.0629 | |
| 74 | S | A | -2.1630 | |
| 75 | E | A | -2.0907 | |
| 76 | L | A | -0.3914 | |
| 77 | L | A | 0.0000 | |
| 78 | Q | A | -1.9308 | |
| 79 | L | A | -0.6193 | |
| 80 | R | A | -2.2280 | |
| 81 | Q | A | -2.3623 | |
| 82 | G | A | -1.5893 | |
| 83 | S | A | -1.0455 | |
| 84 | S | A | -0.5696 | |
| 85 | P | A | -0.6251 | |
| 86 | G | A | -0.5780 | |
| 87 | P | A | -0.1011 | |
| 88 | M | A | 0.7129 | |
| 89 | S | A | 0.2137 | |
| 90 | A | A | 0.0325 | |
| 91 | P | A | -0.2923 | |
| 92 | A | A | -0.2713 | |
| 93 | P | A | -0.5516 | |
| 94 | G | A | -0.6675 | |
| 95 | S | A | -0.9678 | |
| 96 | A | A | -1.2461 | |
| 97 | R | A | -2.0771 | |
| 98 | G | A | -1.3542 | |
| 99 | A | A | -0.6962 | |
| 100 | T | A | -0.6515 | |
| 101 | P | A | -1.2047 | |
| 102 | E | A | -2.1311 | |
| 103 | P | A | -1.3173 | |
| 104 | S | A | -0.8114 | |
| 105 | A | A | -0.4753 | |
| 106 | P | A | -0.3599 | |
| 107 | S | A | -0.3457 | |
| 108 | A | A | -0.3062 | |
| 109 | P | A | -0.4381 | |
| 110 | P | A | -0.4738 | |
| 111 | P | A | -0.7400 | |
| 112 | A | A | -0.7348 | |
| 113 | P | A | -1.2608 | |
| 114 | E | A | -2.1359 | |
| 115 | P | A | -1.3091 | |
| 116 | S | A | -0.7511 | |
| 117 | A | A | -0.3052 | |
| 118 | P | A | 0.0661 | |
| 119 | C | A | 0.2523 | |
| 120 | A | A | -0.2902 | |
| 121 | P | A | -0.9539 | |
| 122 | E | A | -1.8987 | |
| 123 | P | A | -1.0461 | |
| 124 | W | A | -0.9969 | |
| 125 | P | A | -1.1367 | |
| 126 | A | A | -0.9224 | |
| 127 | G | A | -1.6672 | |
| 128 | E | A | -2.7424 | |
| 129 | E | A | -3.1261 | |
| 130 | P | A | -1.8987 | |
| 131 | V | A | -1.9867 | |
| 132 | R | A | -2.1514 | |
| 133 | C | A | 0.0000 | |
| 134 | D | A | -2.2679 | |
| 135 | A | A | -1.2163 | |
| 136 | C | A | 0.0000 | |
| 137 | P | A | -1.3801 | |
| 138 | E | A | -2.4010 | |
| 139 | G | A | -1.2484 | |
| 140 | A | A | -0.7471 | |
| 141 | A | A | -0.9804 | |
| 142 | L | A | 0.1484 | |
| 143 | P | A | -0.7369 | |
| 144 | A | A | 0.0000 | |
| 145 | A | A | -0.0603 | |
| 146 | L | A | 0.0716 | |
| 147 | S | A | 0.0000 | |
| 148 | C | A | 0.0000 | |
| 149 | L | A | 0.0000 | |
| 150 | S | A | -0.1943 | |
| 151 | C | A | 0.3786 | |
| 152 | L | A | -0.2162 | |
| 153 | A | A | -0.5850 | |
| 154 | S | A | 0.0000 | |
| 155 | F | A | -0.4035 | |
| 156 | C | A | 0.0000 | |
| 157 | S | A | -0.0880 | |
| 158 | A | A | -0.0411 | |
| 159 | H | A | -0.5642 | |
| 160 | L | A | 0.0000 | |
| 161 | A | A | -1.1650 | |
| 162 | P | A | -1.6558 | |
| 163 | H | A | 0.0000 | |
| 164 | E | A | -3.1719 | |
| 165 | R | A | -3.0971 | |
| 166 | S | A | -2.0068 | |
| 167 | P | A | -1.5563 | |
| 168 | A | A | -0.9541 | |
| 169 | L | A | -1.5506 | |
| 170 | R | A | -3.1327 | |
| 171 | G | A | -1.8041 | |
| 172 | H | A | -1.4775 | |
| 173 | R | A | -1.3147 | |
| 174 | L | A | -0.5807 | |
| 175 | V | A | 0.1267 | |
| 176 | P | A | -0.2859 | |
| 177 | P | A | -0.6077 | |
| 178 | L | A | -1.5874 | |
| 179 | R | A | -3.3894 | |
| 180 | R | A | -3.6738 | |
| 181 | L | A | 0.0000 | |
| 182 | E | A | -3.3863 | |
| 183 | E | A | -3.4539 | |
| 184 | S | A | -1.7928 | |
| 185 | L | A | 0.0000 | |
| 186 | C | A | 0.0000 | |
| 187 | P | A | -1.5847 | |
| 188 | R | A | -1.9691 | |
| 189 | H | A | -1.3407 | |
| 190 | L | A | -0.3174 | |
| 191 | R | A | -1.7738 | |
| 192 | P | A | -1.4747 | |
| 193 | L | A | -0.9046 | |
| 194 | E | A | -1.4857 | |
| 195 | R | A | -1.5088 | |
| 196 | Y | A | 0.0000 | |
| 197 | C | A | 0.0000 | |
| 198 | R | A | -1.1985 | |
| 199 | V | A | -0.2297 | |
| 200 | E | A | -1.9824 | |
| 201 | R | A | -1.9188 | |
| 202 | V | A | -0.3726 | |
| 203 | C | A | -0.1363 | |
| 204 | L | A | 0.0000 | |
| 205 | C | A | 0.0000 | |
| 206 | E | A | -2.5377 | |
| 207 | A | A | -1.8591 | |
| 208 | C | A | 0.0000 | |
| 209 | A | A | -2.3529 | |
| 210 | T | A | -2.1890 | |
| 211 | Q | A | -2.9374 | |
| 212 | E | A | -3.1287 | |
| 213 | H | A | -2.8618 | |
| 214 | R | A | -3.3170 | |
| 215 | G | A | -2.3022 | |
| 216 | H | A | -2.0712 | |
| 217 | E | A | -2.1262 | |
| 218 | L | A | -0.7695 | |
| 219 | V | A | -0.8668 | |
| 220 | P | A | -1.2726 | |
| 221 | L | A | -1.5632 | |
| 222 | E | A | -2.9291 | |
| 223 | Q | A | -2.1397 | |
| 224 | E | A | -2.1234 | |
| 225 | R | A | -3.2768 | |
| 226 | A | A | -1.8912 | |
| 227 | L | A | -0.9339 | |
| 228 | Q | A | -2.5740 | |
| 229 | E | A | -2.5402 | |
| 230 | V | A | -0.5689 | |
| 231 | E | A | -2.2685 | |
| 232 | Q | A | -1.8756 | |
| 233 | S | A | -1.0233 | |
| 234 | K | A | -1.5885 | |
| 235 | V | A | 0.0667 | |
| 236 | L | A | 0.2894 | |
| 237 | S | A | -0.7498 | |
| 238 | A | A | -0.9318 | |
| 239 | V | A | -0.6572 | |
| 240 | E | A | -2.6209 | |
| 241 | D | A | -3.4945 | |
| 242 | R | A | -3.1274 | |
| 243 | M | A | -1.7707 | |
| 244 | D | A | -3.2359 | |
| 245 | E | A | -2.8999 | |
| 246 | L | A | -0.5626 | |
| 247 | G | A | -0.8657 | |
| 248 | A | A | -1.1079 | |
| 249 | G | A | -0.8992 | |
| 250 | I | A | -0.3994 | |
| 251 | A | A | -1.2926 | |
| 252 | Q | A | -1.8597 | |
| 253 | S | A | -1.2525 | |
| 254 | R | A | -1.8820 | |
| 255 | R | A | -2.0134 | |
| 256 | T | A | -0.0729 | |
| 257 | V | A | 1.0332 | |
| 258 | A | A | 0.2847 | |
| 259 | L | A | 1.6635 | |
| 260 | I | A | 2.1263 | |
| 261 | K | A | 0.1752 | |
| 262 | S | A | 0.3487 | |
| 263 | A | A | 0.4714 | |
| 264 | A | A | -0.6264 | |
| 265 | V | A | -0.7180 | |
| 266 | A | A | -1.8798 | |
| 267 | E | A | -2.8734 | |
| 268 | R | A | -3.5396 | |
| 269 | E | A | -3.7130 | |
| 270 | R | A | -3.4749 | |
| 271 | V | A | -1.8295 | |
| 272 | S | A | -2.0793 | |
| 273 | Q | A | -2.4028 | |
| 274 | M | A | -0.6204 | |
| 275 | F | A | 0.1784 | |
| 276 | A | A | -0.4265 | |
| 277 | E | A | -1.6090 | |
| 278 | A | A | -0.4897 | |
| 279 | T | A | -0.4301 | |
| 280 | A | A | -0.7167 | |
| 281 | S | A | -0.5965 | |
| 282 | L | A | -0.6441 | |
| 283 | Q | A | -1.5362 | |
| 284 | S | A | -0.9810 | |
| 285 | F | A | -0.4449 | |
| 286 | Q | A | -0.7551 | |
| 287 | T | A | -0.6416 | |
| 288 | E | A | -0.9713 | |
| 289 | V | A | 0.2280 | |
| 290 | L | A | 0.3983 | |
| 291 | G | A | -0.3900 | |
| 292 | F | A | 0.6700 | |
| 293 | I | A | -0.1950 | |
| 294 | E | A | -2.1631 | |
| 295 | E | A | -2.0517 | |
| 296 | G | A | -0.8495 | |
| 297 | E | A | -1.2740 | |
| 298 | A | A | -1.4929 | |
| 299 | A | A | -1.2026 | |
| 300 | M | A | -0.8782 | |
| 301 | L | A | -0.5349 | |
| 302 | G | A | -1.2166 | |
| 303 | R | A | -2.2959 | |
| 304 | S | A | -1.4604 | |
| 305 | Q | A | -1.8819 | |
| 306 | G | A | -2.7455 | |
| 307 | D | A | -3.7495 | |
| 308 | L | A | -2.4708 | |
| 309 | R | A | -4.6094 | |
| 310 | R | A | -5.0225 | |
| 311 | Q | A | -4.7863 | |
| 312 | E | A | -5.1357 | |
| 313 | E | A | -5.0565 | |
| 314 | Q | A | -4.1932 | |
| 315 | R | A | -4.4913 | |
| 316 | S | A | -3.6399 | |
| 317 | R | A | -3.2412 | |
| 318 | L | A | -2.3523 | |
| 319 | S | A | -2.8643 | |
| 320 | R | A | -3.4411 | |
| 321 | A | A | 0.0000 | |
| 322 | R | A | -3.3669 | |
| 323 | H | A | -3.0287 | |
| 324 | N | A | -1.9643 | |
| 325 | L | A | -1.0131 | |
| 326 | S | A | -1.5295 | |
| 327 | Q | A | -1.8033 | |
| 328 | V | A | -0.6127 | |
| 329 | P | A | -1.3142 | |
| 330 | E | A | -2.0552 | |
| 331 | A | A | -0.8952 | |
| 332 | D | A | -0.3364 | |
| 333 | S | A | 0.5581 | |
| 334 | V | A | 1.9781 | |
| 335 | S | A | 0.9373 | |
| 336 | F | A | 1.6292 | |
| 337 | L | A | 2.3344 | |
| 338 | Q | A | 0.5645 | |
| 339 | E | A | 0.1526 | |
| 340 | L | A | 0.6956 | |
| 341 | L | A | 1.1120 | |
| 342 | A | A | 0.0893 | |
| 343 | L | A | -1.0150 | |
| 344 | R | A | -1.4427 | |
| 345 | L | A | -0.2171 | |
| 346 | A | A | 0.0000 | |
| 347 | L | A | -0.5893 | |
| 348 | E | A | -2.2312 | |
| 349 | E | A | -2.4138 | |
| 350 | G | A | -1.7781 | |
| 351 | C | A | -0.6539 | |
| 352 | G | A | -1.0709 | |
| 353 | P | A | -0.7302 | |
| 354 | G | A | -1.2269 | |
| 355 | P | A | -1.1995 | |
| 356 | G | A | -1.2423 | |
| 357 | P | A | -1.4651 | |
| 358 | P | A | -1.6582 | |
| 359 | R | A | -2.5551 | |
| 360 | E | A | -2.0415 | |
| 361 | L | A | -0.0312 | |
| 362 | S | A | -0.4084 | |
| 363 | F | A | 0.0535 | |
| 364 | T | A | -0.7714 | |
| 365 | K | A | -1.9723 | |
| 366 | S | A | -0.6431 | |
| 367 | S | A | -1.2811 | |
| 368 | Q | A | -2.1997 | |
| 369 | A | A | -1.2575 | |
| 370 | V | A | -1.1175 | |
| 371 | R | A | -2.1046 | |
| 372 | A | A | -0.8241 | |
| 373 | V | A | 0.2529 | |
| 374 | R | A | -0.8985 | |
| 375 | D | A | -0.2812 | |
| 376 | I | A | 1.8618 | |
| 377 | L | A | 1.7472 | |
| 378 | V | A | 2.1020 | |
| 379 | S | A | 1.2422 | |
| 380 | A | A | 1.0479 | |
| 381 | C | A | 1.2541 | |
| 382 | A | A | 0.8609 | |
| 383 | S | A | -0.0286 | |
| 384 | Q | A | -0.5840 | |
| 385 | W | A | -0.1181 | |
| 386 | E | A | -1.0805 | |
| 387 | Q | A | -0.6281 | |
| 388 | L | A | 0.2143 | |
| 389 | R | A | -1.4626 | |
| 390 | G | A | -0.8202 | |
| 391 | L | A | 0.4807 | |
| 392 | G | A | -0.8425 | |
| 393 | S | A | -1.5248 | |
| 394 | G | A | -1.9613 | |
| 395 | E | A | -3.2054 | |
| 396 | D | A | -3.4405 | |
| 397 | E | A | -3.2375 | |
| 398 | L | A | -1.0357 | |
| 399 | Q | A | -1.7985 | |
| 400 | K | A | -1.6338 | |
| 401 | L | A | 0.1648 | |
| 402 | G | A | -0.8634 | |
| 403 | S | A | -1.2837 | |
| 404 | E | A | -2.1938 | |
| 405 | A | A | -1.4028 | |
| 406 | D | A | -1.6486 | |
| 407 | V | A | -0.2175 | |
| 408 | E | A | -1.9900 | |
| 409 | S | A | -2.0112 | |
| 410 | Q | A | -2.7695 | |
| 411 | D | A | -3.2256 | |
| 412 | P | A | -2.4348 | |
| 413 | D | A | -2.8149 | |
| 414 | S | A | -1.4099 | |
| 415 | T | A | -0.6418 | |
| 416 | N | A | -0.8042 | |
| 417 | L | A | 1.1513 | |
| 418 | L | A | 0.7440 | |
| 419 | E | A | -1.4245 | |
| 420 | S | A | -1.3103 | |
| 421 | E | A | -2.5910 | |
| 422 | A | A | -1.8935 | |
| 423 | P | A | -1.6843 | |
| 424 | R | A | -2.3234 | |
| 425 | D | A | -1.9343 | |
| 426 | Y | A | -0.4873 | |
| 427 | F | A | 0.0000 | |
| 428 | L | A | 0.0000 | |
| 429 | K | A | -1.1817 | |
| 430 | F | A | 0.0269 | |
| 431 | A | A | 0.4582 | |
| 432 | Y | A | 0.8499 | |
| 433 | I | A | 1.0226 | |
| 434 | V | A | 0.0000 | |
| 435 | D | A | -1.1868 | |
| 436 | L | A | 0.0000 | |
| 437 | D | A | -1.5540 | |
| 438 | S | A | -1.2120 | |
| 439 | D | A | -1.8281 | |
| 440 | T | A | 0.0000 | |
| 441 | A | A | 0.0000 | |
| 442 | D | A | 0.0000 | |
| 443 | K | A | -0.7778 | |
| 444 | F | A | 0.4893 | |
| 445 | L | A | 0.0000 | |
| 446 | Q | A | -0.1494 | |
| 447 | L | A | 0.0260 | |
| 448 | F | A | 0.5060 | |
| 449 | G | A | -0.2226 | |
| 450 | T | A | -0.7346 | |
| 451 | K | A | -0.5471 | |
| 452 | G | A | 0.0000 | |
| 453 | V | A | 0.0000 | |
| 454 | K | A | -0.8748 | |
| 455 | R | A | -0.1775 | |
| 456 | V | A | 0.8750 | |
| 457 | L | A | 2.0380 | |
| 458 | C | A | 1.2306 | |
| 459 | P | A | 0.2039 | |
| 460 | I | A | -0.1288 | |
| 461 | N | A | -1.3616 | |
| 462 | Y | A | -1.2381 | |
| 463 | P | A | -1.5781 | |
| 464 | E | A | -2.3054 | |
| 465 | S | A | 0.0000 | |
| 466 | P | A | -1.0348 | |
| 467 | T | A | -1.1853 | |
| 468 | R | A | 0.0000 | |
| 469 | F | A | 0.0000 | |
| 470 | T | A | -0.9092 | |
| 471 | H | A | -1.4729 | |
| 472 | C | A | 0.0000 | |
| 473 | E | A | -0.3407 | |
| 474 | Q | A | 0.0000 | |
| 475 | V | A | 0.0000 | |
| 476 | L | A | 0.0000 | |
| 477 | G | A | 0.0000 | |
| 478 | E | A | -2.2451 | |
| 479 | G | A | -1.5455 | |
| 480 | A | A | -1.6395 | |
| 481 | L | A | 0.0000 | |
| 482 | D | A | -1.9053 | |
| 483 | R | A | -2.5082 | |
| 484 | G | A | -1.4361 | |
| 485 | T | A | -0.8752 | |
| 486 | Y | A | -0.0115 | |
| 487 | Y | A | 0.0000 | |
| 488 | W | A | 0.0000 | |
| 489 | E | A | 0.0000 | |
| 490 | V | A | 0.0000 | |
| 491 | E | A | -0.8593 | |
| 492 | I | A | 0.0000 | |
| 493 | I | A | -0.6335 | |
| 494 | E | A | -1.8171 | |
| 495 | G | A | -0.9899 | |
| 496 | W | A | -0.0621 | |
| 497 | V | A | 0.0000 | |
| 498 | S | A | 0.0000 | |
| 499 | V | A | 0.0000 | |
| 500 | G | A | 0.0000 | |
| 501 | V | A | 0.0000 | |
| 502 | M | A | 0.0000 | |
| 503 | A | A | 0.0000 | |
| 504 | E | A | -2.3937 | |
| 505 | G | A | -1.4886 | |
| 506 | F | A | -0.9084 | |
| 507 | S | A | -1.1218 | |
| 508 | P | A | -1.2235 | |
| 509 | Q | A | -1.5744 | |
| 510 | E | A | -1.7086 | |
| 511 | P | A | -1.4135 | |
| 512 | Y | A | -1.0989 | |
| 513 | D | A | -2.2603 | |
| 514 | R | A | -2.1928 | |
| 515 | G | A | 0.0000 | |
| 516 | R | A | -1.2564 | |
| 517 | L | A | 0.0000 | |
| 518 | G | A | 0.0000 | |
| 519 | R | A | -1.1067 | |
| 520 | N | A | -0.8900 | |
| 521 | A | A | -0.4911 | |
| 522 | H | A | -0.8785 | |
| 523 | S | A | 0.0000 | |
| 524 | C | A | 0.0000 | |
| 525 | C | A | 0.0000 | |
| 526 | L | A | 0.0000 | |
| 527 | Q | A | 0.0000 | |
| 528 | W | A | 0.0000 | |
| 529 | N | A | -0.7214 | |
| 530 | G | A | -1.1134 | |
| 531 | R | A | -1.8684 | |
| 532 | G | A | -1.0847 | |
| 533 | Y | A | 0.0000 | |
| 534 | S | A | 0.0000 | |
| 535 | V | A | 0.0000 | |
| 536 | W | A | -0.2781 | |
| 537 | F | A | 0.0000 | |
| 538 | C | A | -0.4325 | |
| 539 | G | A | -0.8530 | |
| 540 | L | A | -0.4435 | |
| 541 | E | A | -0.9590 | |
| 542 | A | A | -0.7061 | |
| 543 | P | A | -0.4973 | |
| 544 | L | A | -0.3533 | |
| 545 | P | A | -0.3124 | |
| 546 | H | A | -0.4358 | |
| 547 | A | A | -0.0620 | |
| 548 | F | A | 0.2406 | |
| 549 | S | A | 0.0000 | |
| 550 | P | A | -0.4647 | |
| 551 | T | A | -0.4715 | |
| 552 | V | A | 0.0000 | |
| 553 | G | A | 0.0000 | |
| 554 | V | A | 0.0000 | |
| 555 | C | A | 0.0000 | |
| 556 | L | A | 0.0000 | |
| 557 | E | A | -1.5417 | |
| 558 | Y | A | -1.8260 | |
| 559 | A | A | -1.5328 | |
| 560 | D | A | -2.2146 | |
| 561 | H | A | -1.6815 | |
| 562 | A | A | 0.0000 | |
| 563 | L | A | 0.0000 | |
| 564 | A | A | 0.0000 | |
| 565 | F | A | 0.0000 | |
| 566 | Y | A | 0.0000 | |
| 567 | A | A | 0.0000 | |
| 568 | V | A | -1.6048 | |
| 569 | R | A | -2.9674 | |
| 570 | E | A | -3.1667 | |
| 571 | G | A | -2.7980 | |
| 572 | K | A | -3.5480 | |
| 573 | L | A | 0.0000 | |
| 574 | S | A | -1.5931 | |
| 575 | L | A | -0.6920 | |
| 576 | L | A | 0.0000 | |
| 577 | R | A | -0.5959 | |
| 578 | R | A | -0.8603 | |
| 579 | L | A | 0.0000 | |
| 580 | K | A | -1.7559 | |
| 581 | A | A | -1.7957 | |
| 582 | S | A | -1.9438 | |
| 583 | R | A | -3.0238 | |
| 584 | P | A | -2.6777 | |
| 585 | R | A | -3.5462 | |
| 586 | R | A | -3.2356 | |
| 587 | S | A | -1.7305 | |
| 588 | G | A | -1.0483 | |
| 589 | A | A | 0.0557 | |
| 590 | L | A | 1.3782 | |
| 591 | A | A | 0.5126 | |
| 592 | S | A | -0.0950 | |
| 593 | P | A | -0.5434 | |
| 594 | T | A | -0.7376 | |
| 595 | D | A | -1.5931 | |
| 596 | P | A | -1.0679 | |
| 597 | F | A | 0.0000 | |
| 598 | Q | A | -1.2168 | |
| 599 | S | A | -1.0616 | |
| 600 | R | A | -1.1128 | |
| 601 | L | A | 0.0000 | |
| 602 | D | A | -1.7713 | |
| 603 | S | A | -1.0948 | |
| 604 | H | A | -0.9745 | |
| 605 | F | A | 0.0000 | |
| 606 | S | A | -1.1646 | |
| 607 | G | A | -0.9619 | |
| 608 | L | A | 0.0000 | |
| 609 | F | A | 0.0000 | |
| 610 | N | A | -1.5536 | |
| 611 | Y | A | -1.4605 | |
| 612 | R | A | -2.5109 | |
| 613 | L | A | 0.0000 | |
| 614 | K | A | -1.4537 | |
| 615 | P | A | 0.0000 | |
| 616 | A | A | 0.0000 | |
| 617 | F | A | 0.0000 | |
| 618 | F | A | 0.0000 | |
| 619 | L | A | 0.0000 | |
| 620 | E | A | -0.1106 | |
| 621 | S | A | -0.0497 | |
| 622 | V | A | 1.0044 | |
| 623 | D | A | -1.2164 | |
| 624 | A | A | 0.0000 | |
| 625 | H | A | -1.1766 | |
| 626 | L | A | 0.0000 | |
| 627 | Q | A | -0.5993 | |
| 628 | I | A | 0.0000 | |
| 629 | G | A | -0.5926 | |
| 630 | P | A | -1.0297 | |
| 631 | L | A | -0.6892 | |
| 632 | K | A | -2.4278 | |
| 633 | K | A | -2.2170 | |
| 634 | S | A | -0.9867 | |
| 635 | C | A | 0.0000 | |
| 636 | I | A | -0.6094 | |
| 637 | S | A | -0.8798 | |
| 638 | V | A | -0.2642 | |
| 639 | L | A | -0.7785 | |
| 640 | K | A | -2.4877 | |
| 641 | R | A | -2.9285 | |
| 642 | R | A | -2.9344 |
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 | -0.5347 | 4.2509 | View | CSV | PDB |
| 4.5 | -0.6288 | 4.0241 | View | CSV | PDB |
| 5.0 | -0.75 | 3.7924 | View | CSV | PDB |
| 5.5 | -0.8786 | 3.7924 | View | CSV | PDB |
| 6.0 | -0.9952 | 3.7924 | View | CSV | PDB |
| 6.5 | -1.0847 | 3.7924 | View | CSV | PDB |
| 7.0 | -1.1406 | 3.7924 | View | CSV | PDB |
| 7.5 | -1.1692 | 3.7924 | View | CSV | PDB |
| 8.0 | -1.1818 | 3.7924 | View | CSV | PDB |
| 8.5 | -1.1843 | 3.7924 | View | CSV | PDB |
| 9.0 | -1.1775 | 3.7924 | 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