| Chain sequence(s) | ADGVGNSSGNWHCDSQWLGDRVITTSTRTWALPTYNNHLYKQISSQSGASNDNHYFGYSTPWGYFDFNRFHCHFSPRDWQRLINNNWGFRPKKLSFKLFNIQVKEVTQNDGTTTIANNLTSTVQVFTDSEYQLPYVLGSAHQGCLPPFPADVFMVPQYGYLTLNNGSQAVGRSSFYCLEYFPSQMLRTGNNFQFSYTFEDVPFHSSYAHSQSLDRLMNPLIDQYLYYLNRTQGTTSGTTNQSRLLFSQAGPQSMSLQARNWLPGPCYRQQRLSKTANDNNNSNFPWTAASKYHLNGRDSLVNPGPAMASHKDDEEKFFPMHGNLIFGKEGTTASNAELDNVMITDEEEIRTTNPVATEQYGTVANNLQSSNTAPTTRTVNDQGALPGMVWQDRDVYLQGPIWAKIPHTDGHFHPSPLMGGFGLKHPPPQIMIKNTPVPANPPTTFSPAKFASFITQYSTGQVSVEIEWELQKENSKRWNPEIQYTSNYNKSVNVDFTVDTNGVYSEPRPIGTRYLTRNL 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. (00:00:13)
[INFO] FoldX: Starting FoldX energy minimization (00:00:13)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:04:03)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/50981f8dd9517c/tmp/folded.pdb (00:04:03)
[INFO] Main: Simulation completed successfully. (00:12:46)
|
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 | |
| 16 | A | A | -1.1237 | |
| 17 | D | A | -1.9764 | |
| 18 | G | A | -1.0669 | |
| 19 | V | A | 0.5153 | |
| 20 | G | A | -0.6542 | |
| 21 | N | A | -1.7331 | |
| 22 | S | A | -1.4940 | |
| 23 | S | A | -1.3834 | |
| 24 | G | A | -1.2049 | |
| 25 | N | A | -1.2662 | |
| 26 | W | A | -0.4302 | |
| 27 | H | A | -1.2091 | |
| 28 | C | A | -0.8427 | |
| 29 | D | A | -1.4993 | |
| 30 | S | A | -0.9644 | |
| 31 | Q | A | -0.7632 | |
| 32 | W | A | -0.3937 | |
| 33 | L | A | 0.2438 | |
| 34 | G | A | -1.1101 | |
| 35 | D | A | -2.3461 | |
| 36 | R | A | -1.4886 | |
| 37 | V | A | 0.0000 | |
| 38 | I | A | -0.6772 | |
| 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 | 0.5768 | |
| 45 | W | A | 0.0000 | |
| 46 | A | A | 0.6628 | |
| 47 | L | A | 0.0000 | |
| 48 | P | A | 0.0581 | |
| 49 | T | A | -0.3242 | |
| 50 | Y | A | -0.3768 | |
| 51 | N | A | -1.0074 | |
| 52 | N | A | -1.2387 | |
| 53 | H | A | -0.5620 | |
| 54 | L | A | -0.3933 | |
| 55 | Y | A | -0.5522 | |
| 56 | K | A | -1.5972 | |
| 57 | Q | A | -1.0732 | |
| 58 | I | A | -0.2619 | |
| 59 | S | A | -0.4649 | |
| 60 | S | A | 0.0000 | |
| 61 | Q | A | -1.5847 | |
| 62 | S | A | -1.1194 | |
| 63 | G | A | -1.3139 | |
| 64 | A | A | -1.6062 | |
| 65 | S | A | -1.9168 | |
| 66 | N | A | -2.7161 | |
| 67 | D | A | -2.7331 | |
| 68 | N | A | -2.5105 | |
| 69 | H | A | -2.1441 | |
| 70 | Y | A | -0.3847 | |
| 71 | F | A | 0.0000 | |
| 72 | G | A | 0.0000 | |
| 73 | Y | A | 0.1749 | |
| 74 | S | A | -0.4091 | |
| 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 | -0.5403 | |
| 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 | -0.8942 | |
| 91 | P | A | -1.3776 | |
| 92 | R | A | -2.3993 | |
| 93 | D | A | 0.0000 | |
| 94 | W | A | 0.0000 | |
| 95 | Q | A | -2.1072 | |
| 96 | R | A | -2.3024 | |
| 97 | L | A | 0.0000 | |
| 98 | I | A | 0.0000 | |
| 99 | N | A | 0.0000 | |
| 100 | N | A | -1.9987 | |
| 101 | N | A | 0.0000 | |
| 102 | W | A | 0.0000 | |
| 103 | G | A | 0.0000 | |
| 104 | F | A | 0.0000 | |
| 105 | R | A | -0.8445 | |
| 106 | P | A | 0.0000 | |
| 107 | K | A | -1.9081 | |
| 108 | K | A | -2.0136 | |
| 109 | L | A | 0.0000 | |
| 110 | S | A | -0.9498 | |
| 111 | F | A | 0.0000 | |
| 112 | K | A | -1.1013 | |
| 113 | L | A | 0.0000 | |
| 114 | F | A | 0.0000 | |
| 115 | N | A | -1.3156 | |
| 116 | I | A | 0.0000 | |
| 117 | Q | A | -1.2067 | |
| 118 | V | A | 0.0000 | |
| 119 | K | A | -0.5145 | |
| 120 | E | A | -0.0935 | |
| 121 | V | A | -0.0130 | |
| 122 | T | A | -0.8522 | |
| 123 | Q | A | -2.2186 | |
| 124 | N | A | -2.9075 | |
| 125 | D | A | -2.9327 | |
| 126 | G | A | -2.0928 | |
| 127 | T | A | -1.6923 | |
| 128 | T | A | -0.9326 | |
| 129 | T | A | -0.0466 | |
| 130 | I | A | 0.7379 | |
| 131 | A | A | -0.0739 | |
| 132 | N | A | -1.1315 | |
| 133 | N | A | -0.6533 | |
| 134 | L | A | 0.2077 | |
| 135 | T | A | -0.1395 | |
| 136 | S | A | 0.0000 | |
| 137 | T | A | 0.0000 | |
| 138 | V | A | 0.0000 | |
| 139 | Q | A | -0.4796 | |
| 140 | V | A | 0.0000 | |
| 141 | F | A | 0.0000 | |
| 142 | T | A | -0.4228 | |
| 143 | D | A | 0.0000 | |
| 144 | S | A | -1.3108 | |
| 145 | E | A | -2.2571 | |
| 146 | Y | A | -1.3573 | |
| 147 | Q | A | -1.3534 | |
| 148 | L | A | 0.0000 | |
| 149 | P | A | 0.4142 | |
| 150 | Y | A | 0.1127 | |
| 151 | V | A | 0.3492 | |
| 152 | L | A | 0.0000 | |
| 153 | G | A | -0.3719 | |
| 154 | S | A | -0.5833 | |
| 155 | A | A | -0.8539 | |
| 156 | H | A | -1.6076 | |
| 157 | Q | A | -1.7487 | |
| 158 | G | A | -0.7680 | |
| 159 | C | A | -0.5165 | |
| 160 | L | A | 0.0000 | |
| 161 | P | A | 0.0000 | |
| 162 | P | A | 0.1580 | |
| 163 | F | A | 1.1021 | |
| 164 | P | A | 0.4597 | |
| 165 | A | A | 0.3982 | |
| 166 | D | A | 0.5792 | |
| 167 | V | A | 1.7376 | |
| 168 | F | A | 0.0000 | |
| 169 | M | A | 1.2717 | |
| 170 | V | A | 0.0000 | |
| 171 | P | A | -0.3221 | |
| 172 | Q | A | -0.3785 | |
| 173 | Y | A | 0.0000 | |
| 174 | G | A | -0.0377 | |
| 175 | Y | A | 0.0000 | |
| 176 | L | A | 1.9406 | |
| 177 | T | A | 1.1873 | |
| 178 | L | A | 0.2459 | |
| 179 | N | A | -0.7770 | |
| 180 | N | A | -1.8894 | |
| 181 | G | A | -1.9305 | |
| 182 | S | A | -1.5736 | |
| 183 | Q | A | -1.4926 | |
| 184 | A | A | -1.1621 | |
| 185 | V | A | -0.9581 | |
| 186 | G | A | -1.1269 | |
| 187 | R | A | -1.6745 | |
| 188 | S | A | -0.3293 | |
| 189 | S | A | 0.6326 | |
| 190 | F | A | 1.6619 | |
| 191 | Y | A | 1.2073 | |
| 192 | C | A | 0.9121 | |
| 193 | L | A | 0.0000 | |
| 194 | E | A | -0.2665 | |
| 195 | Y | A | 0.9963 | |
| 196 | F | A | 0.2480 | |
| 197 | P | A | -0.2354 | |
| 198 | S | A | -0.5145 | |
| 199 | Q | A | -1.0831 | |
| 200 | M | A | -0.1471 | |
| 201 | L | A | 0.0000 | |
| 202 | R | A | -1.4678 | |
| 203 | T | A | -1.2349 | |
| 204 | G | A | 0.0000 | |
| 205 | N | A | -1.5857 | |
| 206 | N | A | -1.6763 | |
| 207 | F | A | 0.0000 | |
| 208 | Q | A | -1.2304 | |
| 209 | F | A | -0.3947 | |
| 210 | S | A | -0.6502 | |
| 211 | Y | A | -0.4882 | |
| 212 | T | A | -1.2593 | |
| 213 | F | A | 0.0000 | |
| 214 | E | A | -2.0176 | |
| 215 | D | A | -2.0912 | |
| 216 | V | A | 0.0000 | |
| 217 | P | A | -0.3857 | |
| 218 | F | A | 0.1485 | |
| 219 | H | A | 0.0000 | |
| 220 | S | A | -0.0209 | |
| 221 | S | A | 0.0000 | |
| 222 | Y | A | -0.3641 | |
| 223 | A | A | -0.7054 | |
| 224 | H | A | -1.0106 | |
| 225 | S | A | -1.0854 | |
| 226 | Q | A | -1.0869 | |
| 227 | S | A | -0.8736 | |
| 228 | L | A | 0.0000 | |
| 229 | D | A | -1.3126 | |
| 230 | R | A | -1.3093 | |
| 231 | L | A | -0.3354 | |
| 232 | M | A | -0.2916 | |
| 233 | N | A | -0.3948 | |
| 234 | P | A | 0.0545 | |
| 235 | L | A | 1.6562 | |
| 236 | I | A | 1.6175 | |
| 237 | D | A | -0.5163 | |
| 238 | Q | A | 0.2173 | |
| 239 | Y | A | 1.5113 | |
| 240 | L | A | 1.7295 | |
| 241 | Y | A | 2.4427 | |
| 242 | Y | A | 1.8073 | |
| 243 | L | A | 1.8655 | |
| 244 | N | A | 0.3604 | |
| 245 | R | A | -1.4985 | |
| 246 | T | A | -1.2622 | |
| 247 | Q | A | -2.7423 | |
| 248 | G | A | -2.0309 | |
| 249 | T | A | -1.4178 | |
| 250 | T | A | -1.2009 | |
| 251 | S | A | -0.9269 | |
| 252 | G | A | -0.9833 | |
| 253 | T | A | -0.7876 | |
| 254 | T | A | -1.2576 | |
| 255 | N | A | -2.6062 | |
| 256 | Q | A | -2.7094 | |
| 257 | S | A | -2.3082 | |
| 258 | R | A | -2.1910 | |
| 259 | L | A | 0.4184 | |
| 260 | L | A | 0.9872 | |
| 261 | F | A | 2.4512 | |
| 262 | S | A | 1.3675 | |
| 263 | Q | A | 0.5799 | |
| 264 | A | A | 0.0000 | |
| 265 | G | A | 0.0000 | |
| 266 | P | A | -0.4441 | |
| 267 | Q | A | -1.3671 | |
| 268 | S | A | -0.6384 | |
| 269 | M | A | -0.4878 | |
| 270 | S | A | -0.1973 | |
| 271 | L | A | 0.9153 | |
| 272 | Q | A | 0.0000 | |
| 273 | A | A | -0.1082 | |
| 274 | R | A | -1.4808 | |
| 275 | N | A | -1.5131 | |
| 276 | W | A | -0.0244 | |
| 277 | L | A | 0.5923 | |
| 278 | P | A | 0.5206 | |
| 279 | G | A | 0.0000 | |
| 280 | P | A | -0.2084 | |
| 281 | C | A | 0.0000 | |
| 282 | Y | A | -1.1437 | |
| 283 | R | A | -1.6795 | |
| 284 | Q | A | 0.0000 | |
| 285 | Q | A | -1.4058 | |
| 286 | R | A | -1.6108 | |
| 287 | L | A | -1.2940 | |
| 288 | S | A | 0.0000 | |
| 289 | K | A | -1.8679 | |
| 290 | T | A | -1.3570 | |
| 291 | A | A | -1.5461 | |
| 292 | N | A | -2.5239 | |
| 293 | D | A | -2.6755 | |
| 294 | N | A | -2.6418 | |
| 295 | N | A | -2.7831 | |
| 296 | N | A | -2.6635 | |
| 297 | S | A | -1.8345 | |
| 298 | N | A | -1.5966 | |
| 299 | F | A | -0.5977 | |
| 300 | P | A | 0.0183 | |
| 301 | W | A | 0.6828 | |
| 302 | T | A | 0.1933 | |
| 303 | A | A | -0.1655 | |
| 304 | A | A | -0.0989 | |
| 305 | S | A | -0.2521 | |
| 306 | K | A | -0.1542 | |
| 307 | Y | A | 0.4475 | |
| 308 | H | A | -0.9788 | |
| 309 | L | A | -0.5876 | |
| 310 | N | A | -1.7553 | |
| 311 | G | A | -1.7491 | |
| 312 | R | A | -2.1641 | |
| 313 | D | A | -1.5122 | |
| 314 | S | A | -0.5622 | |
| 315 | L | A | -0.0042 | |
| 316 | V | A | 0.0000 | |
| 317 | N | A | -1.0240 | |
| 318 | P | A | 0.0000 | |
| 319 | G | A | 0.0000 | |
| 320 | P | A | 0.0007 | |
| 321 | A | A | 0.1493 | |
| 322 | M | A | 0.0000 | |
| 323 | A | A | 0.0000 | |
| 324 | S | A | 0.0000 | |
| 325 | H | A | 0.0000 | |
| 326 | K | A | -2.7181 | |
| 327 | D | A | -3.6160 | |
| 328 | D | A | -3.6409 | |
| 329 | E | A | -3.1872 | |
| 330 | E | A | -3.6887 | |
| 331 | K | A | -2.5901 | |
| 332 | F | A | -1.9552 | |
| 333 | F | A | 0.0000 | |
| 334 | P | A | 0.0000 | |
| 335 | M | A | 0.0000 | |
| 336 | H | A | -0.5969 | |
| 337 | G | A | 0.0000 | |
| 338 | N | A | 0.0000 | |
| 339 | L | A | 0.6491 | |
| 340 | I | A | 1.4614 | |
| 341 | F | A | 0.3007 | |
| 342 | G | A | -1.3181 | |
| 343 | K | A | -2.3322 | |
| 344 | E | A | -2.3810 | |
| 345 | G | A | -1.5776 | |
| 346 | T | A | -1.8609 | |
| 347 | T | A | -1.1434 | |
| 348 | A | A | -0.4646 | |
| 349 | S | A | -1.0370 | |
| 350 | N | A | -1.7131 | |
| 351 | A | A | -1.8632 | |
| 352 | E | A | -2.4396 | |
| 353 | L | A | -1.2195 | |
| 354 | D | A | -2.3422 | |
| 355 | N | A | -2.2399 | |
| 356 | V | A | -0.8721 | |
| 357 | M | A | 0.0000 | |
| 358 | I | A | 0.5149 | |
| 359 | T | A | 0.0000 | |
| 360 | D | A | -1.0184 | |
| 361 | E | A | 0.0000 | |
| 362 | E | A | -2.0818 | |
| 363 | E | A | -1.3499 | |
| 364 | I | A | 0.0000 | |
| 365 | R | A | -1.2259 | |
| 366 | T | A | -0.7958 | |
| 367 | T | A | 0.0000 | |
| 368 | N | A | 0.0000 | |
| 369 | P | A | -0.3640 | |
| 370 | V | A | -0.5654 | |
| 371 | A | A | 0.0000 | |
| 372 | T | A | 0.0000 | |
| 373 | E | A | -1.4800 | |
| 374 | Q | A | -1.5120 | |
| 375 | Y | A | -0.8030 | |
| 376 | G | A | -0.6521 | |
| 377 | T | A | -0.4073 | |
| 378 | V | A | 0.1690 | |
| 379 | A | A | -0.6012 | |
| 380 | N | A | -1.6840 | |
| 381 | N | A | -0.9383 | |
| 382 | L | A | 0.3246 | |
| 383 | Q | A | -1.2054 | |
| 384 | S | A | -1.0477 | |
| 385 | S | A | -1.1940 | |
| 386 | N | A | -1.6765 | |
| 387 | T | A | -1.0252 | |
| 388 | A | A | -0.6970 | |
| 389 | P | A | -0.8962 | |
| 390 | T | A | -0.9253 | |
| 391 | T | A | -1.2078 | |
| 392 | R | A | -1.9472 | |
| 393 | T | A | -1.2342 | |
| 394 | V | A | -1.1903 | |
| 395 | N | A | -2.0549 | |
| 396 | D | A | -2.3517 | |
| 397 | Q | A | -1.3089 | |
| 398 | G | A | -0.7189 | |
| 399 | A | A | 0.3931 | |
| 400 | L | A | 0.7160 | |
| 401 | P | A | 0.2822 | |
| 402 | G | A | -0.0178 | |
| 403 | M | A | 0.0000 | |
| 404 | V | A | 0.9339 | |
| 405 | W | A | 0.3818 | |
| 406 | Q | A | -0.3012 | |
| 407 | D | A | -0.4091 | |
| 408 | R | A | 0.0000 | |
| 409 | D | A | 0.0000 | |
| 410 | V | A | 0.0000 | |
| 411 | Y | A | 0.0000 | |
| 412 | L | A | 0.0000 | |
| 413 | Q | A | 0.0000 | |
| 414 | G | A | 0.0000 | |
| 415 | P | A | -0.3820 | |
| 416 | I | A | 0.0000 | |
| 417 | W | A | 0.0000 | |
| 418 | A | A | -0.3986 | |
| 419 | K | A | -1.1147 | |
| 420 | I | A | 0.0000 | |
| 421 | P | A | -1.5123 | |
| 422 | H | A | -2.1111 | |
| 423 | T | A | -1.8329 | |
| 424 | D | A | -2.4798 | |
| 425 | G | A | -1.5911 | |
| 426 | H | A | -1.0032 | |
| 427 | F | A | 1.0062 | |
| 428 | H | A | -0.0832 | |
| 429 | P | A | -0.2500 | |
| 430 | S | A | 0.0718 | |
| 431 | P | A | 0.2630 | |
| 432 | L | A | 0.8619 | |
| 433 | M | A | 0.3779 | |
| 434 | G | A | 0.0000 | |
| 435 | G | A | 0.0163 | |
| 436 | F | A | 0.0000 | |
| 437 | G | A | -0.7223 | |
| 438 | L | A | 0.0000 | |
| 439 | K | A | -2.3575 | |
| 440 | H | A | -2.2069 | |
| 441 | P | A | 0.0000 | |
| 442 | P | A | 0.0000 | |
| 443 | P | A | 0.0000 | |
| 444 | Q | A | 0.0000 | |
| 445 | I | A | 0.0000 | |
| 446 | M | A | 0.0000 | |
| 447 | I | A | 0.0000 | |
| 448 | K | A | 0.0000 | |
| 449 | N | A | 0.0000 | |
| 450 | T | A | 0.1824 | |
| 451 | P | A | 0.1831 | |
| 452 | V | A | 0.5805 | |
| 453 | P | A | 0.2691 | |
| 454 | A | A | -0.1878 | |
| 455 | N | A | -1.3133 | |
| 456 | P | A | -0.5863 | |
| 457 | P | A | -0.3332 | |
| 458 | T | A | -0.0102 | |
| 459 | T | A | 0.6723 | |
| 460 | F | A | 1.6662 | |
| 461 | S | A | 0.4261 | |
| 462 | P | A | -0.1384 | |
| 463 | A | A | -0.4041 | |
| 464 | K | A | -1.2163 | |
| 465 | F | A | 0.2851 | |
| 466 | A | A | 0.0300 | |
| 467 | S | A | -0.1176 | |
| 468 | F | A | 0.4409 | |
| 469 | I | A | 0.6593 | |
| 470 | T | A | 0.1530 | |
| 471 | Q | A | 0.0000 | |
| 472 | Y | A | 0.3216 | |
| 473 | S | A | 0.0000 | |
| 474 | T | A | 0.0282 | |
| 475 | G | A | 0.0000 | |
| 476 | Q | A | -0.3570 | |
| 477 | V | A | 0.0000 | |
| 478 | S | A | -0.6978 | |
| 479 | V | A | 0.0000 | |
| 480 | E | A | -1.3696 | |
| 481 | I | A | 0.0000 | |
| 482 | E | A | -1.4769 | |
| 483 | W | A | 0.0000 | |
| 484 | E | A | -1.4253 | |
| 485 | L | A | 0.0000 | |
| 486 | Q | A | -2.0866 | |
| 487 | K | A | -2.9056 | |
| 488 | E | A | -2.3594 | |
| 489 | N | A | -2.6315 | |
| 490 | S | A | -2.2244 | |
| 491 | K | A | -2.3734 | |
| 492 | R | A | -1.7833 | |
| 493 | W | A | -0.0995 | |
| 494 | N | A | -0.7846 | |
| 495 | P | A | -0.2982 | |
| 496 | E | A | 0.2299 | |
| 497 | I | A | 1.5252 | |
| 498 | Q | A | 0.0084 | |
| 499 | Y | A | -0.2655 | |
| 500 | T | A | -0.2953 | |
| 501 | S | A | -0.7167 | |
| 502 | N | A | -1.3247 | |
| 503 | Y | A | -0.3809 | |
| 504 | N | A | -1.9274 | |
| 505 | K | A | -1.8684 | |
| 506 | S | A | -0.5670 | |
| 507 | V | A | 0.9237 | |
| 508 | N | A | -0.0251 | |
| 509 | V | A | 0.7925 | |
| 510 | D | A | -0.2567 | |
| 511 | F | A | 0.0063 | |
| 512 | T | A | 0.6493 | |
| 513 | V | A | 0.7506 | |
| 514 | D | A | -0.3026 | |
| 515 | T | A | -0.8940 | |
| 516 | N | A | -1.2352 | |
| 517 | G | A | -0.4752 | |
| 518 | V | A | 0.2688 | |
| 519 | Y | A | 0.3959 | |
| 520 | S | A | -0.3482 | |
| 521 | E | A | -0.8889 | |
| 522 | P | A | -0.8983 | |
| 523 | R | A | -0.7900 | |
| 524 | P | A | -0.2908 | |
| 525 | I | A | 0.0000 | |
| 526 | G | A | -0.1893 | |
| 527 | T | A | 0.0000 | |
| 528 | R | A | 0.0000 | |
| 529 | Y | A | 0.4585 | |
| 530 | L | A | 0.0000 | |
| 531 | T | A | -0.6148 | |
| 532 | R | A | -1.9149 | |
| 533 | N | A | -1.5676 | |
| 534 | L | A | -0.3237 |
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 | -0.2097 | 4.9191 | View | CSV | PDB |
| 4.5 | -0.252 | 4.9191 | View | CSV | PDB |
| 5.0 | -0.3009 | 4.9191 | View | CSV | PDB |
| 5.5 | -0.349 | 4.9191 | View | CSV | PDB |
| 6.0 | -0.3885 | 4.9191 | View | CSV | PDB |
| 6.5 | -0.4149 | 4.9191 | View | CSV | PDB |
| 7.0 | -0.4297 | 4.9191 | View | CSV | PDB |
| 7.5 | -0.4377 | 4.9191 | View | CSV | PDB |
| 8.0 | -0.4411 | 4.9191 | View | CSV | PDB |
| 8.5 | -0.4386 | 4.9191 | View | CSV | PDB |
| 9.0 | -0.4281 | 4.9191 | 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