| Chain sequence(s) | GADGVGNSSGNWHCDSTWMGDRVITTSTRTWALPTYNNHLYKQISSQSGASNDNHYFGYSTPWGYFDFNRFHCHFSPRDWQRLINNNWGFRPKRLNFKLFNIQVKEVTQNDGTTTIANNLTSTVQVFTDSEYQLPYVLGSAHQGCLPPFPADVFMVPQYGYLTLNNGSQAVGRSSFYCLEYFPSQMLRTGNNFTFSYTFEDVPFHSSYAHSQSLDRLMNPLIDQYLYYLSRTNTPSGTTTQSRLQFSQAGASDIRDQSRNWLPGPCYRQQRVSKTSADNNNSEYSWTGATKYHLNGRDSLVNPGPAMASHKDDEEKFFPQSGVLIFGKQGSEKTNVDIEKVMITDEEEIRTTNPVATEQYGSVSTNLQRGNRQAATADVNTQGVLPGMVWQDRDVYLQGPIWAKIPHTDGHFHPSPLMGGFGLKHPPPQILIKNTPVPANPSTTFSAAKFASFITQYSTGQVSVEIEWELQKENSKRWNPEIQYTSNYNKSVNVDFTVDTNGVYSEPRPIGTRYLTRNL 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. (00:00:03)
[INFO] FoldX: Starting FoldX energy minimization (00:00:04)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:04:15)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/c381d488a99fe4/tmp/folded.pdb (00:04:15)
[INFO] Main: Simulation completed successfully. (00:12:00)
|
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 | |
| 15 | G | A | -0.7916 | |
| 16 | A | A | -0.6977 | |
| 17 | D | A | -1.1870 | |
| 18 | G | A | -0.5220 | |
| 19 | V | A | 0.6751 | |
| 20 | G | A | -0.4242 | |
| 21 | N | A | -1.4268 | |
| 22 | S | A | -1.2598 | |
| 23 | S | A | 0.0000 | |
| 24 | G | A | -1.2951 | |
| 25 | N | A | -1.2023 | |
| 26 | W | A | -0.3649 | |
| 27 | H | A | -1.2541 | |
| 28 | C | A | -1.0641 | |
| 29 | D | A | -1.8570 | |
| 30 | S | A | -0.8935 | |
| 31 | T | A | -0.2070 | |
| 32 | W | A | -0.2395 | |
| 33 | M | A | 0.1428 | |
| 34 | G | A | -1.0534 | |
| 35 | D | A | -2.1597 | |
| 36 | R | A | -1.3416 | |
| 37 | V | A | 0.0000 | |
| 38 | I | A | -0.4558 | |
| 39 | T | A | 0.0000 | |
| 40 | T | A | 0.0000 | |
| 41 | S | A | 0.0000 | |
| 42 | T | A | 0.0000 | |
| 43 | R | A | 0.0000 | |
| 44 | T | A | 0.6421 | |
| 45 | W | A | 0.0000 | |
| 46 | A | A | 0.7495 | |
| 47 | L | A | 0.0000 | |
| 48 | P | A | 0.0860 | |
| 49 | T | A | -0.3071 | |
| 50 | Y | A | -0.3481 | |
| 51 | N | A | -0.9487 | |
| 52 | N | A | -1.2095 | |
| 53 | H | A | -0.5306 | |
| 54 | L | A | -0.3039 | |
| 55 | Y | A | -0.5120 | |
| 56 | K | A | -1.5123 | |
| 57 | Q | A | -1.0349 | |
| 58 | I | A | -0.2582 | |
| 59 | S | A | -0.4397 | |
| 60 | S | A | 0.0000 | |
| 61 | Q | A | -1.5769 | |
| 62 | S | A | -1.1159 | |
| 63 | G | A | -1.3112 | |
| 64 | A | A | -1.5454 | |
| 65 | S | A | -1.8310 | |
| 66 | N | A | -2.6168 | |
| 67 | D | A | -2.3387 | |
| 68 | N | A | -2.3926 | |
| 69 | H | A | -2.0685 | |
| 70 | Y | A | -0.2903 | |
| 71 | F | A | 0.0000 | |
| 72 | G | A | 0.0000 | |
| 73 | Y | A | 0.0000 | |
| 74 | S | A | -0.4295 | |
| 75 | T | A | 0.0000 | |
| 76 | P | A | 0.0000 | |
| 77 | W | A | 0.0000 | |
| 78 | G | A | 0.0000 | |
| 79 | Y | A | 0.0000 | |
| 80 | F | A | 0.0000 | |
| 81 | D | A | 0.0000 | |
| 82 | F | A | 0.0000 | |
| 83 | N | A | 0.0000 | |
| 84 | R | A | -0.7677 | |
| 85 | F | A | 0.0000 | |
| 86 | H | A | 0.0000 | |
| 87 | C | A | 0.0000 | |
| 88 | H | A | 0.0000 | |
| 89 | F | A | 0.0000 | |
| 90 | S | A | -1.0827 | |
| 91 | P | A | -1.3119 | |
| 92 | R | A | -2.5138 | |
| 93 | D | A | -2.0230 | |
| 94 | W | A | 0.0000 | |
| 95 | Q | A | -2.1243 | |
| 96 | R | A | -2.5027 | |
| 97 | L | A | 0.0000 | |
| 98 | I | A | 0.0000 | |
| 99 | N | A | -1.1423 | |
| 100 | N | A | -2.1317 | |
| 101 | N | A | 0.0000 | |
| 102 | W | A | -1.0576 | |
| 103 | G | A | 0.0000 | |
| 104 | F | A | 0.0000 | |
| 105 | R | A | -0.9262 | |
| 106 | P | A | 0.0000 | |
| 107 | K | A | -2.0225 | |
| 108 | R | A | -2.3819 | |
| 109 | L | A | 0.0000 | |
| 110 | N | A | -1.3063 | |
| 111 | F | A | 0.0000 | |
| 112 | K | A | -1.1390 | |
| 113 | L | A | 0.0000 | |
| 114 | F | A | 0.0000 | |
| 115 | N | A | -1.2873 | |
| 116 | I | A | 0.0000 | |
| 117 | Q | A | -1.1003 | |
| 118 | V | A | 0.0000 | |
| 119 | K | A | -0.5506 | |
| 120 | E | A | -0.1146 | |
| 121 | V | A | 0.0616 | |
| 122 | T | A | -0.8243 | |
| 123 | Q | A | -2.2151 | |
| 124 | N | A | -2.9061 | |
| 125 | D | A | -2.9346 | |
| 126 | G | A | -2.0867 | |
| 127 | T | A | -1.6959 | |
| 128 | T | A | -0.9398 | |
| 129 | T | A | -0.0656 | |
| 130 | I | A | 0.6771 | |
| 131 | A | A | -0.1281 | |
| 132 | N | A | -1.1602 | |
| 133 | N | A | -0.8294 | |
| 134 | L | A | 0.0596 | |
| 135 | T | A | -0.1824 | |
| 136 | S | A | 0.0000 | |
| 137 | T | A | 0.0000 | |
| 138 | V | A | 0.0000 | |
| 139 | Q | A | -0.4807 | |
| 140 | V | A | 0.0000 | |
| 141 | F | A | 0.0000 | |
| 142 | T | A | -0.3939 | |
| 143 | D | A | 0.0000 | |
| 144 | S | A | -1.3154 | |
| 145 | E | A | -2.2663 | |
| 146 | Y | A | -1.3261 | |
| 147 | Q | A | -1.4420 | |
| 148 | L | A | 0.0000 | |
| 149 | P | A | 0.4182 | |
| 150 | Y | A | 0.0499 | |
| 151 | V | A | 0.3282 | |
| 152 | L | A | 0.0000 | |
| 153 | G | A | -0.3604 | |
| 154 | S | A | -0.5020 | |
| 155 | A | A | -0.6945 | |
| 156 | H | A | -1.3106 | |
| 157 | Q | A | -1.6382 | |
| 158 | G | A | -0.6486 | |
| 159 | C | A | 0.0000 | |
| 160 | L | A | 0.0000 | |
| 161 | P | A | 0.0000 | |
| 162 | P | A | 0.1215 | |
| 163 | F | A | 1.0367 | |
| 164 | P | A | 0.4299 | |
| 165 | A | A | 0.3604 | |
| 166 | D | A | 0.5410 | |
| 167 | V | A | 1.8308 | |
| 168 | F | A | 1.3700 | |
| 169 | M | A | 1.4286 | |
| 170 | V | A | 0.0000 | |
| 171 | P | A | -0.2171 | |
| 172 | Q | A | -0.3098 | |
| 173 | Y | A | 0.0000 | |
| 174 | G | A | -0.0675 | |
| 175 | Y | A | 0.0000 | |
| 176 | L | A | 1.9485 | |
| 177 | T | A | 1.2426 | |
| 178 | L | A | 0.3372 | |
| 179 | N | A | -0.7084 | |
| 180 | N | A | -1.8621 | |
| 181 | G | A | -1.8713 | |
| 182 | S | A | -1.5372 | |
| 183 | Q | A | -1.4569 | |
| 184 | A | A | -1.1146 | |
| 185 | V | A | -0.9264 | |
| 186 | G | A | -1.1121 | |
| 187 | R | A | -1.6326 | |
| 188 | S | A | -0.2539 | |
| 189 | S | A | 0.7529 | |
| 190 | F | A | 1.8496 | |
| 191 | Y | A | 1.3421 | |
| 192 | C | A | 0.9583 | |
| 193 | L | A | 0.0000 | |
| 194 | E | A | -0.1376 | |
| 195 | Y | A | 1.0923 | |
| 196 | F | A | 0.3775 | |
| 197 | P | A | -0.1622 | |
| 198 | S | A | -0.4740 | |
| 199 | Q | A | -1.0659 | |
| 200 | M | A | -0.1967 | |
| 201 | L | A | 0.0000 | |
| 202 | R | A | -1.3098 | |
| 203 | T | A | -1.0501 | |
| 204 | G | A | -1.0101 | |
| 205 | N | A | -1.3579 | |
| 206 | N | A | -1.3973 | |
| 207 | F | A | 0.0000 | |
| 208 | T | A | -0.5348 | |
| 209 | F | A | -0.1519 | |
| 210 | S | A | -0.7514 | |
| 211 | Y | A | -0.7426 | |
| 212 | T | A | -1.4847 | |
| 213 | F | A | 0.0000 | |
| 214 | E | A | -2.0759 | |
| 215 | D | A | -2.1075 | |
| 216 | V | A | 0.0000 | |
| 217 | P | A | -0.4793 | |
| 218 | F | A | -0.0380 | |
| 219 | H | A | 0.0000 | |
| 220 | S | A | -0.0764 | |
| 221 | S | A | 0.0000 | |
| 222 | Y | A | -0.3912 | |
| 223 | A | A | -0.4429 | |
| 224 | H | A | -0.9286 | |
| 225 | S | A | -0.9405 | |
| 226 | Q | A | -1.0289 | |
| 227 | S | A | -0.9505 | |
| 228 | L | A | 0.0000 | |
| 229 | D | A | -1.4001 | |
| 230 | R | A | -1.9786 | |
| 231 | L | A | -0.5761 | |
| 232 | M | A | -0.4333 | |
| 233 | N | A | -0.6367 | |
| 234 | P | A | 0.1142 | |
| 235 | L | A | 1.6148 | |
| 236 | I | A | 1.5896 | |
| 237 | D | A | -0.5619 | |
| 238 | Q | A | 0.3224 | |
| 239 | Y | A | 1.4400 | |
| 240 | L | A | 1.6587 | |
| 241 | Y | A | 2.1593 | |
| 242 | Y | A | 1.1094 | |
| 243 | L | A | 1.3059 | |
| 244 | S | A | -0.0107 | |
| 245 | R | A | -1.6215 | |
| 246 | T | A | -1.2951 | |
| 247 | N | A | -2.2980 | |
| 248 | T | A | -1.6440 | |
| 249 | P | A | -1.0737 | |
| 250 | S | A | -0.8360 | |
| 251 | G | A | -0.7222 | |
| 252 | T | A | -0.4139 | |
| 253 | T | A | -0.5279 | |
| 254 | T | A | -1.1896 | |
| 255 | Q | A | -1.5833 | |
| 256 | S | A | -1.9080 | |
| 257 | R | A | -2.3198 | |
| 258 | L | A | -0.0110 | |
| 259 | Q | A | 0.0010 | |
| 260 | F | A | 2.1473 | |
| 261 | S | A | 0.8214 | |
| 262 | Q | A | 0.1166 | |
| 263 | A | A | 0.0000 | |
| 264 | G | A | -0.7481 | |
| 265 | A | A | -0.3395 | |
| 266 | S | A | -0.8883 | |
| 267 | D | A | -1.5473 | |
| 268 | I | A | -1.6681 | |
| 269 | R | A | -2.8715 | |
| 270 | D | A | -2.3066 | |
| 271 | Q | A | 0.0000 | |
| 272 | S | A | -0.7806 | |
| 273 | R | A | -1.4130 | |
| 274 | N | A | -0.9817 | |
| 275 | W | A | 0.4447 | |
| 276 | L | A | 0.9132 | |
| 277 | P | A | 0.6188 | |
| 278 | G | A | 0.0000 | |
| 279 | P | A | 0.3461 | |
| 280 | C | A | 0.0000 | |
| 281 | Y | A | -0.5538 | |
| 282 | R | A | -1.2727 | |
| 283 | Q | A | 0.0000 | |
| 284 | Q | A | -1.3952 | |
| 285 | R | A | -1.6409 | |
| 286 | V | A | 0.0000 | |
| 287 | S | A | 0.0000 | |
| 288 | K | A | -1.7562 | |
| 289 | T | A | -1.0984 | |
| 290 | S | A | -1.1904 | |
| 291 | A | A | -1.3211 | |
| 292 | D | A | -2.1912 | |
| 293 | N | A | -2.3293 | |
| 294 | N | A | -2.6893 | |
| 295 | N | A | -2.6041 | |
| 296 | S | A | -2.1091 | |
| 297 | E | A | -2.2564 | |
| 298 | Y | A | -1.1457 | |
| 299 | S | A | -0.4595 | |
| 300 | W | A | 0.1658 | |
| 301 | T | A | -0.2330 | |
| 302 | G | A | -0.6107 | |
| 303 | A | A | -0.2310 | |
| 304 | T | A | -0.2110 | |
| 305 | K | A | 0.1620 | |
| 306 | Y | A | 0.9050 | |
| 307 | H | A | -0.5202 | |
| 308 | L | A | 0.1298 | |
| 309 | N | A | -1.4516 | |
| 310 | G | A | -1.5934 | |
| 311 | R | A | -2.0060 | |
| 312 | D | A | -1.3125 | |
| 313 | S | A | -0.2558 | |
| 314 | L | A | 0.3239 | |
| 315 | V | A | 0.0000 | |
| 316 | N | A | -0.8815 | |
| 317 | P | A | 0.0000 | |
| 318 | G | A | 0.0000 | |
| 319 | P | A | 0.0031 | |
| 320 | A | A | 0.0355 | |
| 321 | M | A | 0.0000 | |
| 322 | A | A | 0.0000 | |
| 323 | S | A | 0.0000 | |
| 324 | H | A | 0.0000 | |
| 325 | K | A | -3.1718 | |
| 326 | D | A | -3.8541 | |
| 327 | D | A | -3.7746 | |
| 328 | E | A | -3.3749 | |
| 329 | E | A | -3.7695 | |
| 330 | K | A | -2.5937 | |
| 331 | F | A | -2.1065 | |
| 332 | F | A | 0.0000 | |
| 333 | P | A | 0.0000 | |
| 334 | Q | A | -0.8982 | |
| 335 | S | A | 0.0000 | |
| 336 | G | A | 0.0000 | |
| 337 | V | A | 0.0000 | |
| 338 | L | A | 0.5896 | |
| 339 | I | A | 1.4284 | |
| 340 | F | A | 0.1992 | |
| 341 | G | A | -1.6908 | |
| 342 | K | A | -2.5603 | |
| 343 | Q | A | -2.2409 | |
| 344 | G | A | -2.1003 | |
| 345 | S | A | -2.8848 | |
| 346 | E | A | -3.5567 | |
| 347 | K | A | -2.9159 | |
| 348 | T | A | -2.1016 | |
| 349 | N | A | -2.1547 | |
| 350 | V | A | -2.1968 | |
| 351 | D | A | -2.4060 | |
| 352 | I | A | -1.0555 | |
| 353 | E | A | -2.4439 | |
| 354 | K | A | -2.8000 | |
| 355 | V | A | -1.1604 | |
| 356 | M | A | 0.0000 | |
| 357 | I | A | 0.3951 | |
| 358 | T | A | 0.0000 | |
| 359 | D | A | -1.0135 | |
| 360 | E | A | 0.0000 | |
| 361 | E | A | -2.1580 | |
| 362 | E | A | -1.2763 | |
| 363 | I | A | 0.0000 | |
| 364 | R | A | -1.7106 | |
| 365 | T | A | -0.9448 | |
| 366 | T | A | 0.0000 | |
| 367 | N | A | 0.0000 | |
| 368 | P | A | 0.0000 | |
| 369 | V | A | 0.0000 | |
| 370 | A | A | 0.0000 | |
| 371 | T | A | -1.2555 | |
| 372 | E | A | -1.5295 | |
| 373 | Q | A | -1.6944 | |
| 374 | Y | A | -0.7869 | |
| 375 | G | A | -0.7122 | |
| 376 | S | A | -0.4299 | |
| 377 | V | A | 0.8196 | |
| 378 | S | A | 0.1945 | |
| 379 | T | A | -0.0823 | |
| 380 | N | A | -0.4533 | |
| 381 | L | A | -0.0427 | |
| 382 | Q | A | -2.3998 | |
| 383 | R | A | -3.2284 | |
| 384 | G | A | -2.6459 | |
| 385 | N | A | -2.8596 | |
| 386 | R | A | -2.8355 | |
| 387 | Q | A | -2.5215 | |
| 388 | A | A | -1.2742 | |
| 389 | A | A | -0.3639 | |
| 390 | T | A | -0.1769 | |
| 391 | A | A | -0.7222 | |
| 392 | D | A | -1.8713 | |
| 393 | V | A | -1.0816 | |
| 394 | N | A | -1.5429 | |
| 395 | T | A | -0.9189 | |
| 396 | Q | A | -0.3161 | |
| 397 | G | A | 0.0864 | |
| 398 | V | A | 1.2754 | |
| 399 | L | A | 1.0112 | |
| 400 | P | A | 0.4806 | |
| 401 | G | A | 0.3316 | |
| 402 | M | A | 0.0000 | |
| 403 | V | A | 1.1038 | |
| 404 | W | A | 0.2647 | |
| 405 | Q | A | -0.4059 | |
| 406 | D | A | -0.4669 | |
| 407 | R | A | 0.0000 | |
| 408 | D | A | 0.0000 | |
| 409 | V | A | 0.0000 | |
| 410 | Y | A | 0.0000 | |
| 411 | L | A | 0.0000 | |
| 412 | Q | A | 0.0000 | |
| 413 | G | A | 0.0000 | |
| 414 | P | A | -0.3575 | |
| 415 | I | A | 0.0000 | |
| 416 | W | A | 0.0000 | |
| 417 | A | A | -0.4762 | |
| 418 | K | A | -1.3168 | |
| 419 | I | A | 0.0000 | |
| 420 | P | A | -1.5345 | |
| 421 | H | A | -2.0083 | |
| 422 | T | A | -1.7916 | |
| 423 | D | A | -2.4453 | |
| 424 | G | A | -1.5211 | |
| 425 | H | A | -0.8580 | |
| 426 | F | A | 1.1929 | |
| 427 | H | A | -0.0187 | |
| 428 | P | A | -0.2002 | |
| 429 | S | A | 0.0897 | |
| 430 | P | A | 0.2995 | |
| 431 | L | A | 0.9988 | |
| 432 | M | A | 0.4272 | |
| 433 | G | A | 0.0000 | |
| 434 | G | A | -0.0033 | |
| 435 | F | A | 0.0000 | |
| 436 | G | A | -0.7517 | |
| 437 | L | A | 0.0000 | |
| 438 | K | A | -2.4218 | |
| 439 | H | A | -2.1379 | |
| 440 | P | A | 0.0000 | |
| 441 | P | A | 0.0000 | |
| 442 | P | A | 0.0000 | |
| 443 | Q | A | 0.0000 | |
| 444 | I | A | 0.0000 | |
| 445 | L | A | 0.0000 | |
| 446 | I | A | 0.0000 | |
| 447 | K | A | 0.0000 | |
| 448 | N | A | 0.0000 | |
| 449 | T | A | 0.1318 | |
| 450 | P | A | 0.1699 | |
| 451 | V | A | 0.4828 | |
| 452 | P | A | 0.2888 | |
| 453 | A | A | -0.1372 | |
| 454 | N | A | -1.3125 | |
| 455 | P | A | -0.5466 | |
| 456 | S | A | -0.2901 | |
| 457 | T | A | 0.0047 | |
| 458 | T | A | 0.6731 | |
| 459 | F | A | 1.7279 | |
| 460 | S | A | 0.5856 | |
| 461 | A | A | 0.1885 | |
| 462 | A | A | -0.2012 | |
| 463 | K | A | -1.0164 | |
| 464 | F | A | 0.5708 | |
| 465 | A | A | 0.1676 | |
| 466 | S | A | -0.0317 | |
| 467 | F | A | 0.5208 | |
| 468 | I | A | 0.7381 | |
| 469 | T | A | 0.2175 | |
| 470 | Q | A | 0.0000 | |
| 471 | Y | A | 0.2417 | |
| 472 | S | A | 0.0000 | |
| 473 | T | A | 0.1127 | |
| 474 | G | A | 0.0000 | |
| 475 | Q | A | -0.3407 | |
| 476 | V | A | 0.0000 | |
| 477 | S | A | -0.7293 | |
| 478 | V | A | 0.0000 | |
| 479 | E | A | -1.4255 | |
| 480 | I | A | 0.0000 | |
| 481 | E | A | -1.2063 | |
| 482 | W | A | 0.0000 | |
| 483 | E | A | -1.3875 | |
| 484 | L | A | 0.0000 | |
| 485 | Q | A | -2.0690 | |
| 486 | K | A | -2.8269 | |
| 487 | E | A | -2.5722 | |
| 488 | N | A | -2.7813 | |
| 489 | S | A | -2.5085 | |
| 490 | K | A | -2.5786 | |
| 491 | R | A | -2.1384 | |
| 492 | W | A | -0.2210 | |
| 493 | N | A | -0.8343 | |
| 494 | P | A | -0.3388 | |
| 495 | E | A | 0.1903 | |
| 496 | I | A | 1.5626 | |
| 497 | Q | A | 0.1245 | |
| 498 | Y | A | 0.0000 | |
| 499 | T | A | -0.2591 | |
| 500 | S | A | -0.7753 | |
| 501 | N | A | -1.2733 | |
| 502 | Y | A | -0.3772 | |
| 503 | N | A | -1.9210 | |
| 504 | K | A | -1.8848 | |
| 505 | S | A | -0.5344 | |
| 506 | V | A | 0.9631 | |
| 507 | N | A | 0.0539 | |
| 508 | V | A | 0.9359 | |
| 509 | D | A | 0.0670 | |
| 510 | F | A | 0.1441 | |
| 511 | T | A | 0.7278 | |
| 512 | V | A | 0.7442 | |
| 513 | D | A | -0.3129 | |
| 514 | T | A | -0.9202 | |
| 515 | N | A | -1.2808 | |
| 516 | G | A | -0.6066 | |
| 517 | V | A | 0.1775 | |
| 518 | Y | A | 0.4345 | |
| 519 | S | A | -0.1951 | |
| 520 | E | A | -0.7244 | |
| 521 | P | A | -0.7975 | |
| 522 | R | A | -0.8481 | |
| 523 | P | A | -0.3646 | |
| 524 | I | A | 0.0000 | |
| 525 | G | A | -0.2165 | |
| 526 | T | A | 0.0000 | |
| 527 | R | A | 0.0000 | |
| 528 | Y | A | 0.4902 | |
| 529 | L | A | 0.0000 | |
| 530 | T | A | -0.7766 | |
| 531 | R | A | -1.9856 | |
| 532 | N | A | -1.4113 | |
| 533 | L | A | 0.0350 |
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 | -0.3167 | 4.3227 | View | CSV | PDB |
| 4.5 | -0.3607 | 4.1429 | View | CSV | PDB |
| 5.0 | -0.412 | 4.0291 | View | CSV | PDB |
| 5.5 | -0.4626 | 4.0291 | View | CSV | PDB |
| 6.0 | -0.5043 | 4.0291 | View | CSV | PDB |
| 6.5 | -0.5318 | 4.0291 | View | CSV | PDB |
| 7.0 | -0.5465 | 4.0291 | View | CSV | PDB |
| 7.5 | -0.554 | 4.0291 | View | CSV | PDB |
| 8.0 | -0.5569 | 4.029 | View | CSV | PDB |
| 8.5 | -0.5542 | 4.0289 | View | CSV | PDB |
| 9.0 | -0.544 | 4.0285 | 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