| Chain sequence(s) | MGCIKSKRKDNLNDDGVDMKTQPVRNTDRTIYVRDPTSNKQQRPVPESQLLPGQRFQAKDPEEQGDIVVALYPYDGIHPDDLSFKKGEKMKVLEEHGEWWKAKSLSSKREGFIPSNYVAKVNTLETEEWFFKDITRKDAERQLLAPGNSAGAFLIRESETLKGSFSLSVRDYDPMHGDVIKHYKIRSLDNGGYYISPRITFPCISDMIKHYQKQSDGLCRRLEKACISPKPQKPWDKDAWEIPRESIKLVKKLGAGQFGEVWMGYYNNSTKVAVKTLKPGTMSAQAFLEEANLMKTLQHDKLVRLYAVVTKEEPIYIITEFMAKGSLLDFLKSDEGSKVLLPKLIDFSAQIAEGMAYIERKNYIHRDLRAANVLVSESLMCKIADFGLARVIEDNEYTAREGAKFPIKWTAPEAINFGCFTIKSDVWSFGILLYEIVTYGKIPYPGRTNADVMTALSQGYRMPRMENCPDELYDIMKMCWKESAEERPTFDYLQSVLDDFYTATEGQYQQQP 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 globular. Max 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 (00:08:42)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/6252eee20b42ff/tmp/folded.pdb (00:08:42)
[INFO] Main: Simulation completed successfully. (00:15:58)
|
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 | 0.9403 | |
| 2 | G | A | 0.7126 | |
| 3 | C | A | 1.2678 | |
| 4 | I | A | 1.5084 | |
| 5 | K | A | -1.1079 | |
| 6 | S | A | -1.8197 | |
| 7 | K | A | -3.7059 | |
| 8 | R | A | -4.1277 | |
| 9 | K | A | -4.0471 | |
| 10 | D | A | -3.5101 | |
| 11 | N | A | -2.4755 | |
| 12 | L | A | -0.7057 | |
| 13 | N | A | -2.1857 | |
| 14 | D | A | -3.1655 | |
| 15 | D | A | -2.7995 | |
| 16 | G | A | -1.3649 | |
| 17 | V | A | 0.5057 | |
| 18 | D | A | -0.9247 | |
| 19 | M | A | -0.4175 | |
| 20 | K | A | -1.9923 | |
| 21 | T | A | -1.3584 | |
| 22 | Q | A | -1.5049 | |
| 23 | P | A | -0.7740 | |
| 24 | V | A | 0.1332 | |
| 25 | R | A | -2.0871 | |
| 26 | N | A | -2.5204 | |
| 27 | T | A | -2.2649 | |
| 28 | D | A | -3.0609 | |
| 29 | R | A | -2.1820 | |
| 30 | T | A | 0.2075 | |
| 31 | I | A | 2.0937 | |
| 32 | Y | A | 2.2007 | |
| 33 | V | A | 1.6317 | |
| 34 | R | A | -1.4094 | |
| 35 | D | A | -2.3817 | |
| 36 | P | A | -1.5687 | |
| 37 | T | A | -1.5997 | |
| 38 | S | A | -2.1880 | |
| 39 | N | A | -2.8874 | |
| 40 | K | A | -3.4751 | |
| 41 | Q | A | -3.4648 | |
| 42 | Q | A | -3.0962 | |
| 43 | R | A | -2.6330 | |
| 44 | P | A | -0.9556 | |
| 45 | V | A | 0.5030 | |
| 46 | P | A | -0.7297 | |
| 47 | E | A | -1.8020 | |
| 48 | S | A | -1.0177 | |
| 49 | Q | A | -0.6617 | |
| 50 | L | A | 1.1538 | |
| 51 | L | A | 1.5029 | |
| 52 | P | A | -0.0867 | |
| 53 | G | A | -0.8144 | |
| 54 | Q | A | -1.4668 | |
| 55 | R | A | -1.9428 | |
| 56 | F | A | -0.1666 | |
| 57 | Q | A | -1.5442 | |
| 58 | A | A | -1.5953 | |
| 59 | K | A | -3.4594 | |
| 60 | D | A | -4.1927 | |
| 61 | P | A | -3.3269 | |
| 62 | E | A | -4.0542 | |
| 63 | E | A | -4.4732 | |
| 64 | Q | A | -3.6490 | |
| 65 | G | A | -2.3657 | |
| 66 | D | A | -2.1739 | |
| 67 | I | A | -0.8105 | |
| 68 | V | A | 0.0000 | |
| 69 | V | A | -0.9695 | |
| 70 | A | A | 0.0000 | |
| 71 | L | A | -1.3619 | |
| 72 | Y | A | -1.2150 | |
| 73 | P | A | -2.0151 | |
| 74 | Y | A | 0.0000 | |
| 75 | D | A | -1.8349 | |
| 76 | G | A | -0.6601 | |
| 77 | I | A | 0.5076 | |
| 78 | H | A | -0.3408 | |
| 79 | P | A | -0.7990 | |
| 80 | D | A | -1.8851 | |
| 81 | D | A | 0.0000 | |
| 82 | L | A | 0.0000 | |
| 83 | S | A | -1.5968 | |
| 84 | F | A | 0.0000 | |
| 85 | K | A | -3.0492 | |
| 86 | K | A | -2.7078 | |
| 87 | G | A | -1.7825 | |
| 88 | E | A | -1.8220 | |
| 89 | K | A | -1.4723 | |
| 90 | M | A | 0.0000 | |
| 91 | K | A | -1.5390 | |
| 92 | V | A | 0.0000 | |
| 93 | L | A | -1.0159 | |
| 94 | E | A | -1.9625 | |
| 95 | E | A | -2.8306 | |
| 96 | H | A | -2.6885 | |
| 97 | G | A | -2.1312 | |
| 98 | E | A | -2.1607 | |
| 99 | W | A | 0.0000 | |
| 100 | W | A | -1.5020 | |
| 101 | K | A | -1.6065 | |
| 102 | A | A | 0.0000 | |
| 103 | K | A | -2.0764 | |
| 104 | S | A | 0.0000 | |
| 105 | L | A | -0.9969 | |
| 106 | S | A | -1.0358 | |
| 107 | S | A | -1.6884 | |
| 108 | K | A | -2.7839 | |
| 109 | R | A | -2.9495 | |
| 110 | E | A | -3.1223 | |
| 111 | G | A | -1.7732 | |
| 112 | F | A | -1.2903 | |
| 113 | I | A | 0.0000 | |
| 114 | P | A | 0.0000 | |
| 115 | S | A | -1.1253 | |
| 116 | N | A | -1.0609 | |
| 117 | Y | A | 0.0000 | |
| 118 | V | A | 0.0000 | |
| 119 | A | A | 0.0000 | |
| 120 | K | A | -1.1067 | |
| 121 | V | A | -0.6547 | |
| 122 | N | A | -1.1841 | |
| 123 | T | A | -0.8189 | |
| 124 | L | A | -0.9455 | |
| 125 | E | A | -1.5988 | |
| 126 | T | A | -1.1388 | |
| 127 | E | A | -1.6111 | |
| 128 | E | A | -2.0814 | |
| 129 | W | A | 0.0000 | |
| 130 | F | A | -1.2415 | |
| 131 | F | A | -1.5029 | |
| 132 | K | A | -2.5861 | |
| 133 | D | A | -2.8203 | |
| 134 | I | A | -1.5806 | |
| 135 | T | A | -1.2960 | |
| 136 | R | A | -1.1498 | |
| 137 | K | A | -0.7072 | |
| 138 | D | A | -0.6725 | |
| 139 | A | A | 0.0000 | |
| 140 | E | A | -0.3417 | |
| 141 | R | A | -0.3661 | |
| 142 | Q | A | -0.1826 | |
| 143 | L | A | 0.0000 | |
| 144 | L | A | 0.3316 | |
| 145 | A | A | 0.1319 | |
| 146 | P | A | -0.2730 | |
| 147 | G | A | -0.3596 | |
| 148 | N | A | -0.5200 | |
| 149 | S | A | -0.7719 | |
| 150 | A | A | -0.5726 | |
| 151 | G | A | 0.0000 | |
| 152 | A | A | 0.0000 | |
| 153 | F | A | 0.0000 | |
| 154 | L | A | 0.0000 | |
| 155 | I | A | 0.0000 | |
| 156 | R | A | 0.0000 | |
| 157 | E | A | -1.8737 | |
| 158 | S | A | 0.0000 | |
| 159 | E | A | -2.2570 | |
| 160 | T | A | -0.8679 | |
| 161 | L | A | -0.4987 | |
| 162 | K | A | -1.8007 | |
| 163 | G | A | -1.4663 | |
| 164 | S | A | -1.1808 | |
| 165 | F | A | -0.8374 | |
| 166 | S | A | 0.0000 | |
| 167 | L | A | 0.0000 | |
| 168 | S | A | 0.0000 | |
| 169 | V | A | 0.0000 | |
| 170 | R | A | -0.2310 | |
| 171 | D | A | -0.0674 | |
| 172 | Y | A | 0.5063 | |
| 173 | D | A | -0.2427 | |
| 174 | P | A | -0.0912 | |
| 175 | M | A | 0.3320 | |
| 176 | H | A | -0.6775 | |
| 177 | G | A | -0.4567 | |
| 178 | D | A | -0.3048 | |
| 179 | V | A | -0.0779 | |
| 180 | I | A | 0.0390 | |
| 181 | K | A | -0.5602 | |
| 182 | H | A | 0.0000 | |
| 183 | Y | A | 0.0000 | |
| 184 | K | A | -1.0067 | |
| 185 | I | A | 0.0000 | |
| 186 | R | A | -1.5644 | |
| 187 | S | A | -1.3637 | |
| 188 | L | A | -1.4236 | |
| 189 | D | A | -2.5191 | |
| 190 | N | A | -2.2444 | |
| 191 | G | A | -1.4599 | |
| 192 | G | A | -0.9068 | |
| 193 | Y | A | -0.5733 | |
| 194 | Y | A | -0.4921 | |
| 195 | I | A | 0.0000 | |
| 196 | S | A | 0.0000 | |
| 197 | P | A | -1.3221 | |
| 198 | R | A | -1.9656 | |
| 199 | I | A | -0.5739 | |
| 200 | T | A | -0.4416 | |
| 201 | F | A | 0.0000 | |
| 202 | P | A | -0.4063 | |
| 203 | C | A | -0.0262 | |
| 204 | I | A | 0.0000 | |
| 205 | S | A | -0.7683 | |
| 206 | D | A | -1.4061 | |
| 207 | M | A | 0.0000 | |
| 208 | I | A | 0.0000 | |
| 209 | K | A | -2.8146 | |
| 210 | H | A | -2.3517 | |
| 211 | Y | A | 0.0000 | |
| 212 | Q | A | -3.4779 | |
| 213 | K | A | -3.4742 | |
| 214 | Q | A | -3.1622 | |
| 215 | S | A | -2.3354 | |
| 216 | D | A | -2.1992 | |
| 217 | G | A | -1.6019 | |
| 218 | L | A | 0.0000 | |
| 219 | C | A | -0.5067 | |
| 220 | R | A | -1.6038 | |
| 221 | R | A | -3.1566 | |
| 222 | L | A | 0.0000 | |
| 223 | E | A | -3.1879 | |
| 224 | K | A | -2.6276 | |
| 225 | A | A | -1.3284 | |
| 226 | C | A | 0.0000 | |
| 227 | I | A | 0.1762 | |
| 228 | S | A | -0.4116 | |
| 229 | P | A | -1.0459 | |
| 230 | K | A | -2.0640 | |
| 231 | P | A | -1.6792 | |
| 232 | Q | A | -1.8925 | |
| 233 | K | A | -1.3796 | |
| 234 | P | A | 0.0000 | |
| 235 | W | A | -0.9420 | |
| 236 | D | A | -1.0730 | |
| 237 | K | A | -2.2129 | |
| 238 | D | A | -2.5115 | |
| 239 | A | A | -1.6275 | |
| 240 | W | A | -1.5873 | |
| 241 | E | A | -2.3238 | |
| 242 | I | A | 0.0000 | |
| 243 | P | A | -1.7985 | |
| 244 | R | A | -2.4334 | |
| 245 | E | A | -2.5595 | |
| 246 | S | A | -2.0055 | |
| 247 | I | A | 0.0000 | |
| 248 | K | A | -2.1915 | |
| 249 | L | A | -0.1672 | |
| 250 | V | A | 0.3529 | |
| 251 | K | A | -1.2516 | |
| 252 | K | A | -1.0054 | |
| 253 | L | A | 0.1339 | |
| 254 | G | A | -0.1334 | |
| 255 | A | A | -0.3338 | |
| 256 | G | A | -0.8435 | |
| 257 | Q | A | -1.7175 | |
| 258 | F | A | -0.8256 | |
| 259 | G | A | -1.0896 | |
| 260 | E | A | -0.7275 | |
| 261 | V | A | 0.1006 | |
| 262 | W | A | -0.0207 | |
| 263 | M | A | -0.1419 | |
| 264 | G | A | 0.0000 | |
| 265 | Y | A | -0.9909 | |
| 266 | Y | A | 0.0000 | |
| 267 | N | A | -2.3664 | |
| 268 | N | A | -2.3823 | |
| 269 | S | A | -1.1593 | |
| 270 | T | A | -1.1462 | |
| 271 | K | A | -1.4610 | |
| 272 | V | A | 0.0000 | |
| 273 | A | A | 0.0387 | |
| 274 | V | A | 0.0000 | |
| 275 | K | A | -0.3411 | |
| 276 | T | A | -0.7141 | |
| 277 | L | A | 0.0000 | |
| 278 | K | A | -2.3622 | |
| 279 | P | A | -1.9047 | |
| 280 | G | A | -1.5470 | |
| 281 | T | A | -1.3453 | |
| 282 | M | A | 0.0000 | |
| 283 | S | A | -0.8343 | |
| 284 | A | A | -1.6262 | |
| 285 | Q | A | -1.6234 | |
| 286 | A | A | -1.3797 | |
| 287 | F | A | 0.0000 | |
| 288 | L | A | -1.5122 | |
| 289 | E | A | -2.2546 | |
| 290 | E | A | -1.3863 | |
| 291 | A | A | 0.0000 | |
| 292 | N | A | -1.5098 | |
| 293 | L | A | -0.3684 | |
| 294 | M | A | 0.0000 | |
| 295 | K | A | -1.0642 | |
| 296 | T | A | -0.9341 | |
| 297 | L | A | 0.0000 | |
| 298 | Q | A | -1.9592 | |
| 299 | H | A | -1.8079 | |
| 300 | D | A | -2.2865 | |
| 301 | K | A | 0.0000 | |
| 302 | L | A | 0.0000 | |
| 303 | V | A | 0.0000 | |
| 304 | R | A | -1.4278 | |
| 305 | L | A | 0.0000 | |
| 306 | Y | A | 0.0000 | |
| 307 | A | A | 0.0000 | |
| 308 | V | A | 0.0000 | |
| 309 | V | A | 0.0000 | |
| 310 | T | A | -2.3712 | |
| 311 | K | A | -3.2614 | |
| 312 | E | A | -3.4478 | |
| 313 | E | A | -3.3390 | |
| 314 | P | A | -2.4263 | |
| 315 | I | A | 0.0000 | |
| 316 | Y | A | 0.0000 | |
| 317 | I | A | 0.0000 | |
| 318 | I | A | 0.0000 | |
| 319 | T | A | -0.2990 | |
| 320 | E | A | 0.0000 | |
| 321 | F | A | -0.1007 | |
| 322 | M | A | 0.0000 | |
| 323 | A | A | -0.6707 | |
| 324 | K | A | -1.2562 | |
| 325 | G | A | -0.7111 | |
| 326 | S | A | -0.6378 | |
| 327 | L | A | 0.0000 | |
| 328 | L | A | -0.9742 | |
| 329 | D | A | -2.1334 | |
| 330 | F | A | 0.0000 | |
| 331 | L | A | 0.0000 | |
| 332 | K | A | -3.1921 | |
| 333 | S | A | -2.7953 | |
| 334 | D | A | -3.1335 | |
| 335 | E | A | -2.8060 | |
| 336 | G | A | 0.0000 | |
| 337 | S | A | -2.0837 | |
| 338 | K | A | -2.2209 | |
| 339 | V | A | 0.0000 | |
| 340 | L | A | 1.0187 | |
| 341 | L | A | 0.4162 | |
| 342 | P | A | 0.2887 | |
| 343 | K | A | -0.2751 | |
| 344 | L | A | 0.0000 | |
| 345 | I | A | 0.0000 | |
| 346 | D | A | -0.7368 | |
| 347 | F | A | 0.0000 | |
| 348 | S | A | 0.0000 | |
| 349 | A | A | 0.0000 | |
| 350 | Q | A | 0.0000 | |
| 351 | I | A | 0.0000 | |
| 352 | A | A | 0.0000 | |
| 353 | E | A | -0.7294 | |
| 354 | G | A | 0.0000 | |
| 355 | M | A | 0.0000 | |
| 356 | A | A | 0.0000 | |
| 357 | Y | A | -1.6954 | |
| 358 | I | A | 0.0000 | |
| 359 | E | A | -2.1986 | |
| 360 | R | A | -3.1900 | |
| 361 | K | A | -3.0329 | |
| 362 | N | A | -2.9648 | |
| 363 | Y | A | 0.0000 | |
| 364 | I | A | -0.4155 | |
| 365 | H | A | 0.0000 | |
| 366 | R | A | -0.4651 | |
| 367 | D | A | -0.4630 | |
| 368 | L | A | 0.0000 | |
| 369 | R | A | -0.4509 | |
| 370 | A | A | 0.0000 | |
| 371 | A | A | -0.4109 | |
| 372 | N | A | 0.0000 | |
| 373 | V | A | 0.0000 | |
| 374 | L | A | -0.0724 | |
| 375 | V | A | 0.0000 | |
| 376 | S | A | -0.8896 | |
| 377 | E | A | -1.9042 | |
| 378 | S | A | -1.0453 | |
| 379 | L | A | -0.5322 | |
| 380 | M | A | -0.4978 | |
| 381 | C | A | 0.0000 | |
| 382 | K | A | -0.5508 | |
| 383 | I | A | 0.0000 | |
| 384 | A | A | 0.0000 | |
| 385 | D | A | -0.6923 | |
| 386 | F | A | 0.0000 | |
| 387 | G | A | 0.0000 | |
| 388 | L | A | 0.0000 | |
| 389 | A | A | -0.5731 | |
| 390 | R | A | -0.8653 | |
| 391 | V | A | -0.8308 | |
| 392 | I | A | -0.8930 | |
| 393 | E | A | -2.4697 | |
| 394 | D | A | -2.1465 | |
| 395 | N | A | -2.4438 | |
| 396 | E | A | -2.7415 | |
| 397 | Y | A | -0.6977 | |
| 398 | T | A | -1.1272 | |
| 399 | A | A | -1.4621 | |
| 400 | R | A | -3.0478 | |
| 401 | E | A | -3.2537 | |
| 402 | G | A | -2.4505 | |
| 403 | A | A | -2.1253 | |
| 404 | K | A | -2.2536 | |
| 405 | F | A | -0.7172 | |
| 406 | P | A | -0.4453 | |
| 407 | I | A | 0.0000 | |
| 408 | K | A | -0.1291 | |
| 409 | W | A | -0.0727 | |
| 410 | T | A | 0.0000 | |
| 411 | A | A | 0.0000 | |
| 412 | P | A | -0.5215 | |
| 413 | E | A | -0.3351 | |
| 414 | A | A | 0.0000 | |
| 415 | I | A | 0.0000 | |
| 416 | N | A | -0.4265 | |
| 417 | F | A | 1.2763 | |
| 418 | G | A | 0.6764 | |
| 419 | C | A | 0.6780 | |
| 420 | F | A | 0.5093 | |
| 421 | T | A | 0.2140 | |
| 422 | I | A | -0.2923 | |
| 423 | K | A | -1.3007 | |
| 424 | S | A | 0.0000 | |
| 425 | D | A | 0.0000 | |
| 426 | V | A | 0.0000 | |
| 427 | W | A | 0.0000 | |
| 428 | S | A | 0.0000 | |
| 429 | F | A | 0.0000 | |
| 430 | G | A | 0.0000 | |
| 431 | I | A | 0.0000 | |
| 432 | L | A | 0.0000 | |
| 433 | L | A | 0.0000 | |
| 434 | Y | A | 0.0000 | |
| 435 | E | A | 0.0000 | |
| 436 | I | A | 0.0000 | |
| 437 | V | A | 0.0000 | |
| 438 | T | A | 0.0000 | |
| 439 | Y | A | -0.7589 | |
| 440 | G | A | 0.0000 | |
| 441 | K | A | -0.9781 | |
| 442 | I | A | 0.7309 | |
| 443 | P | A | 0.0000 | |
| 444 | Y | A | 0.0000 | |
| 445 | P | A | -0.5180 | |
| 446 | G | A | -0.8384 | |
| 447 | R | A | -1.3959 | |
| 448 | T | A | -1.3857 | |
| 449 | N | A | -1.7138 | |
| 450 | A | A | -1.5739 | |
| 451 | D | A | -1.6285 | |
| 452 | V | A | 0.0000 | |
| 453 | M | A | -0.8090 | |
| 454 | T | A | -0.8234 | |
| 455 | A | A | -0.9289 | |
| 456 | L | A | 0.0000 | |
| 457 | S | A | -1.1742 | |
| 458 | Q | A | -1.3950 | |
| 459 | G | A | -1.3392 | |
| 460 | Y | A | -0.3484 | |
| 461 | R | A | -0.7938 | |
| 462 | M | A | 0.0000 | |
| 463 | P | A | -1.2849 | |
| 464 | R | A | -2.8062 | |
| 465 | M | A | -2.0961 | |
| 466 | E | A | -2.8954 | |
| 467 | N | A | -2.4185 | |
| 468 | C | A | 0.0000 | |
| 469 | P | A | -2.2724 | |
| 470 | D | A | -3.3638 | |
| 471 | E | A | -3.1464 | |
| 472 | L | A | 0.0000 | |
| 473 | Y | A | -2.5183 | |
| 474 | D | A | -3.3212 | |
| 475 | I | A | 0.0000 | |
| 476 | M | A | 0.0000 | |
| 477 | K | A | -2.4515 | |
| 478 | M | A | -1.5127 | |
| 479 | C | A | 0.0000 | |
| 480 | W | A | 0.0000 | |
| 481 | K | A | -2.7057 | |
| 482 | E | A | -2.9923 | |
| 483 | S | A | -2.4598 | |
| 484 | A | A | -2.3793 | |
| 485 | E | A | -3.2413 | |
| 486 | E | A | -3.2905 | |
| 487 | R | A | 0.0000 | |
| 488 | P | A | -0.9450 | |
| 489 | T | A | -0.7650 | |
| 490 | F | A | 0.0000 | |
| 491 | D | A | -1.0610 | |
| 492 | Y | A | 0.1626 | |
| 493 | L | A | 0.0000 | |
| 494 | Q | A | -0.4871 | |
| 495 | S | A | -0.2572 | |
| 496 | V | A | 0.2057 | |
| 497 | L | A | 0.0000 | |
| 498 | D | A | -0.2482 | |
| 499 | D | A | -0.3474 | |
| 500 | F | A | 0.3637 | |
| 501 | Y | A | 0.9804 | |
| 502 | T | A | -0.4072 | |
| 503 | A | A | -0.4264 | |
| 504 | T | A | -0.9668 | |
| 505 | E | A | -2.2686 | |
| 506 | G | A | -2.2318 | |
| 507 | Q | A | -2.1803 | |
| 508 | Y | A | -1.6618 | |
| 509 | Q | A | -2.0398 | |
| 510 | Q | A | -2.3192 | |
| 511 | Q | A | -2.3174 | |
| 512 | P | A | -1.6811 |
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 | -0.7784 | 4.2763 | View | CSV | PDB |
| 4.5 | -0.8657 | 4.2607 | View | CSV | PDB |
| 5.0 | -0.9706 | 4.2425 | View | CSV | PDB |
| 5.5 | -1.0724 | 4.2245 | View | CSV | PDB |
| 6.0 | -1.1493 | 4.2096 | View | CSV | PDB |
| 6.5 | -1.1861 | 4.2002 | View | CSV | PDB |
| 7.0 | -1.184 | 4.1958 | View | CSV | PDB |
| 7.5 | -1.1569 | 4.1942 | View | CSV | PDB |
| 8.0 | -1.1165 | 4.1936 | View | CSV | PDB |
| 8.5 | -1.066 | 4.1934 | View | CSV | PDB |
| 9.0 | -1.0045 | 4.1934 | 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