| 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. (00:00:04)
[INFO] FoldX: Starting FoldX energy minimization (00:00:04)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:03:50)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/e6462c2690c26b/tmp/folded.pdb (00:03:50)
[INFO] Main: Simulation completed successfully. (00:13:16)
|
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 | -0.8931 | |
| 17 | D | A | -1.6859 | |
| 18 | G | A | -0.8174 | |
| 19 | V | A | 0.5868 | |
| 20 | G | A | -0.5790 | |
| 21 | N | A | -1.6004 | |
| 22 | S | A | -1.4075 | |
| 23 | S | A | -1.2769 | |
| 24 | G | A | -1.1621 | |
| 25 | N | A | -1.2004 | |
| 26 | W | A | -0.3596 | |
| 27 | H | A | -1.3117 | |
| 28 | C | A | -1.1675 | |
| 29 | D | A | -2.2040 | |
| 30 | S | A | -1.5574 | |
| 31 | Q | A | -1.4935 | |
| 32 | W | A | -1.0729 | |
| 33 | L | A | -0.7134 | |
| 34 | G | A | -1.4570 | |
| 35 | D | A | -2.5387 | |
| 36 | R | A | -1.9787 | |
| 37 | V | A | 0.0000 | |
| 38 | I | A | -0.9241 | |
| 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 | 0.6100 | |
| 45 | W | A | 0.0000 | |
| 46 | A | A | 0.7054 | |
| 47 | L | A | 0.0000 | |
| 48 | P | A | 0.0607 | |
| 49 | T | A | -0.3164 | |
| 50 | Y | A | -0.3798 | |
| 51 | N | A | -1.0296 | |
| 52 | N | A | -1.2439 | |
| 53 | H | A | -0.5849 | |
| 54 | L | A | -0.4196 | |
| 55 | Y | A | -0.6025 | |
| 56 | K | A | -1.6424 | |
| 57 | Q | A | -1.0617 | |
| 58 | I | A | -0.2262 | |
| 59 | S | A | -0.3791 | |
| 60 | S | A | 0.0000 | |
| 61 | Q | A | -1.5517 | |
| 62 | S | A | -1.1175 | |
| 63 | G | A | -1.2765 | |
| 64 | A | A | -1.5299 | |
| 65 | S | A | -1.8358 | |
| 66 | N | A | -2.6158 | |
| 67 | D | A | -2.4085 | |
| 68 | N | A | -2.3866 | |
| 69 | H | A | -2.0351 | |
| 70 | Y | A | -0.2713 | |
| 71 | F | A | 0.3529 | |
| 72 | G | A | 0.0000 | |
| 73 | Y | A | 0.1921 | |
| 74 | S | A | -0.4406 | |
| 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 | -0.7869 | |
| 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 | -0.9534 | |
| 91 | P | A | -1.1339 | |
| 92 | R | A | -1.9878 | |
| 93 | D | A | -1.8833 | |
| 94 | W | A | 0.0000 | |
| 95 | Q | A | -1.8743 | |
| 96 | R | A | -2.3238 | |
| 97 | L | A | 0.0000 | |
| 98 | I | A | 0.0000 | |
| 99 | N | A | -1.0834 | |
| 100 | N | A | -1.9243 | |
| 101 | N | A | 0.0000 | |
| 102 | W | A | -0.8562 | |
| 103 | G | A | 0.0000 | |
| 104 | F | A | 0.0000 | |
| 105 | R | A | -0.8847 | |
| 106 | P | A | 0.0000 | |
| 107 | K | A | -1.6608 | |
| 108 | K | A | -1.5894 | |
| 109 | L | A | 0.0000 | |
| 110 | S | A | -0.8451 | |
| 111 | F | A | 0.0000 | |
| 112 | K | A | -1.1516 | |
| 113 | L | A | 0.0000 | |
| 114 | F | A | 0.0000 | |
| 115 | N | A | -1.2673 | |
| 116 | I | A | 0.0000 | |
| 117 | Q | A | -1.1823 | |
| 118 | V | A | 0.0000 | |
| 119 | K | A | -0.5449 | |
| 120 | E | A | -0.0917 | |
| 121 | V | A | 0.0144 | |
| 122 | T | A | -0.6522 | |
| 123 | Q | A | -2.2233 | |
| 124 | N | A | -2.9079 | |
| 125 | D | A | -2.9286 | |
| 126 | G | A | -2.0931 | |
| 127 | T | A | -1.6910 | |
| 128 | T | A | -0.9322 | |
| 129 | T | A | -0.0458 | |
| 130 | I | A | 0.7366 | |
| 131 | A | A | -0.1065 | |
| 132 | N | A | -1.2121 | |
| 133 | N | A | -0.8076 | |
| 134 | L | A | -0.0357 | |
| 135 | T | A | -0.2421 | |
| 136 | S | A | 0.0000 | |
| 137 | T | A | -0.4306 | |
| 138 | V | A | 0.0000 | |
| 139 | Q | A | -0.4224 | |
| 140 | V | A | 0.0000 | |
| 141 | F | A | 0.0000 | |
| 142 | T | A | -0.4114 | |
| 143 | D | A | 0.0000 | |
| 144 | S | A | -1.2998 | |
| 145 | E | A | -2.2465 | |
| 146 | Y | A | -1.5067 | |
| 147 | Q | A | -1.3960 | |
| 148 | L | A | 0.0000 | |
| 149 | P | A | 0.4016 | |
| 150 | Y | A | 0.0652 | |
| 151 | V | A | 0.2677 | |
| 152 | L | A | 0.0000 | |
| 153 | G | A | -0.4534 | |
| 154 | S | A | -0.6297 | |
| 155 | A | A | -0.8709 | |
| 156 | H | A | -1.6831 | |
| 157 | Q | A | -1.8015 | |
| 158 | G | A | -0.7485 | |
| 159 | C | A | -0.5142 | |
| 160 | L | A | 0.0000 | |
| 161 | P | A | 0.0000 | |
| 162 | P | A | 0.1616 | |
| 163 | F | A | 1.0545 | |
| 164 | P | A | 0.4332 | |
| 165 | A | A | 0.4079 | |
| 166 | D | A | 0.5778 | |
| 167 | V | A | 1.7687 | |
| 168 | F | A | 0.0000 | |
| 169 | M | A | 1.3417 | |
| 170 | V | A | 0.0000 | |
| 171 | P | A | -0.2962 | |
| 172 | Q | A | -0.3480 | |
| 173 | Y | A | 0.0000 | |
| 174 | G | A | -0.0503 | |
| 175 | Y | A | 0.0000 | |
| 176 | L | A | 1.9502 | |
| 177 | T | A | 1.1468 | |
| 178 | L | A | 0.0978 | |
| 179 | N | A | -0.7714 | |
| 180 | N | A | -1.8914 | |
| 181 | G | A | -1.8710 | |
| 182 | S | A | -1.5282 | |
| 183 | Q | A | -1.4652 | |
| 184 | A | A | -1.1511 | |
| 185 | V | A | -0.9858 | |
| 186 | G | A | -1.1547 | |
| 187 | R | A | -1.7215 | |
| 188 | S | A | -0.3765 | |
| 189 | S | A | 0.5793 | |
| 190 | F | A | 1.6342 | |
| 191 | Y | A | 1.1827 | |
| 192 | C | A | 0.9064 | |
| 193 | L | A | 0.0000 | |
| 194 | E | A | -0.2571 | |
| 195 | Y | A | 1.0022 | |
| 196 | F | A | 0.2488 | |
| 197 | P | A | -0.2154 | |
| 198 | S | A | -0.4766 | |
| 199 | Q | A | -0.9909 | |
| 200 | M | A | -0.0195 | |
| 201 | L | A | 0.0000 | |
| 202 | R | A | -1.4558 | |
| 203 | T | A | -1.1746 | |
| 204 | G | A | 0.0000 | |
| 205 | N | A | -1.4184 | |
| 206 | N | A | -1.5987 | |
| 207 | F | A | 0.0000 | |
| 208 | Q | A | -1.3421 | |
| 209 | F | A | -0.4604 | |
| 210 | S | A | -0.6165 | |
| 211 | Y | A | -0.3970 | |
| 212 | T | A | -1.0824 | |
| 213 | F | A | 0.0000 | |
| 214 | E | A | -1.9910 | |
| 215 | D | A | -2.0985 | |
| 216 | V | A | 0.0000 | |
| 217 | P | A | -0.4966 | |
| 218 | F | A | -0.0466 | |
| 219 | H | A | 0.0000 | |
| 220 | S | A | -0.1823 | |
| 221 | S | A | 0.0000 | |
| 222 | Y | A | 0.0000 | |
| 223 | A | A | -0.4731 | |
| 224 | H | A | -0.8814 | |
| 225 | S | A | -0.9494 | |
| 226 | Q | A | -0.9583 | |
| 227 | S | A | -0.8223 | |
| 228 | L | A | -0.2332 | |
| 229 | D | A | -1.2393 | |
| 230 | R | A | -1.2704 | |
| 231 | L | A | -0.2263 | |
| 232 | M | A | -0.2899 | |
| 233 | N | A | -0.5370 | |
| 234 | P | A | -0.0443 | |
| 235 | L | A | 1.5680 | |
| 236 | I | A | 1.5625 | |
| 237 | D | A | -0.6799 | |
| 238 | Q | A | 0.3521 | |
| 239 | Y | A | 1.5182 | |
| 240 | L | A | 1.7357 | |
| 241 | Y | A | 2.6005 | |
| 242 | Y | A | 1.7627 | |
| 243 | L | A | 1.7853 | |
| 244 | N | A | 0.3391 | |
| 245 | R | A | -1.5039 | |
| 246 | T | A | -1.3918 | |
| 247 | Q | A | -2.6744 | |
| 248 | G | A | -1.8911 | |
| 249 | T | A | -1.2781 | |
| 250 | T | A | -1.0110 | |
| 251 | S | A | -0.8362 | |
| 252 | G | A | -0.8608 | |
| 253 | T | A | -0.7966 | |
| 254 | T | A | -1.2558 | |
| 255 | N | A | -2.5837 | |
| 256 | Q | A | -2.6194 | |
| 257 | S | A | -2.2821 | |
| 258 | R | A | -2.1674 | |
| 259 | L | A | 0.4108 | |
| 260 | L | A | 0.9603 | |
| 261 | F | A | 2.4104 | |
| 262 | S | A | 1.3510 | |
| 263 | Q | A | 0.5650 | |
| 264 | A | A | 0.0000 | |
| 265 | G | A | 0.0000 | |
| 266 | P | A | -0.5902 | |
| 267 | Q | A | -1.3983 | |
| 268 | S | A | 0.0000 | |
| 269 | M | A | -0.5144 | |
| 270 | S | A | -0.1387 | |
| 271 | L | A | 1.0139 | |
| 272 | Q | A | 0.0000 | |
| 273 | A | A | 0.1990 | |
| 274 | R | A | -0.8039 | |
| 275 | N | A | -1.0871 | |
| 276 | W | A | 0.4093 | |
| 277 | L | A | 0.8203 | |
| 278 | P | A | 0.5836 | |
| 279 | G | A | 0.0000 | |
| 280 | P | A | -0.2087 | |
| 281 | C | A | 0.0000 | |
| 282 | Y | A | -1.1121 | |
| 283 | R | A | -1.6894 | |
| 284 | Q | A | 0.0000 | |
| 285 | Q | A | -1.4839 | |
| 286 | R | A | -1.6759 | |
| 287 | L | A | -1.4036 | |
| 288 | S | A | 0.0000 | |
| 289 | K | A | -2.0222 | |
| 290 | T | A | -1.4669 | |
| 291 | A | A | -1.6093 | |
| 292 | N | A | -2.6125 | |
| 293 | D | A | -2.8551 | |
| 294 | N | A | -2.7215 | |
| 295 | N | A | -2.8170 | |
| 296 | N | A | -2.6834 | |
| 297 | S | A | -1.8465 | |
| 298 | N | A | -1.6654 | |
| 299 | F | A | -0.7492 | |
| 300 | P | A | -0.1338 | |
| 301 | W | A | 0.4105 | |
| 302 | T | A | 0.0462 | |
| 303 | A | A | -0.2741 | |
| 304 | A | A | -0.1666 | |
| 305 | S | A | -0.1927 | |
| 306 | K | A | 0.0697 | |
| 307 | Y | A | 0.6704 | |
| 308 | H | A | -0.6124 | |
| 309 | L | A | 0.1057 | |
| 310 | N | A | -1.4341 | |
| 311 | G | A | -1.5597 | |
| 312 | R | A | -1.9747 | |
| 313 | D | A | -1.2667 | |
| 314 | S | A | -0.3539 | |
| 315 | L | A | 0.1487 | |
| 316 | V | A | 0.0000 | |
| 317 | N | A | -0.9517 | |
| 318 | P | A | 0.0000 | |
| 319 | G | A | 0.0000 | |
| 320 | P | A | 0.0105 | |
| 321 | A | A | 0.1058 | |
| 322 | M | A | 0.0000 | |
| 323 | A | A | 0.0000 | |
| 324 | S | A | 0.0000 | |
| 325 | H | A | 0.0000 | |
| 326 | K | A | -2.9579 | |
| 327 | D | A | -3.7620 | |
| 328 | D | A | -3.7681 | |
| 329 | E | A | -3.3424 | |
| 330 | E | A | -3.8664 | |
| 331 | K | A | -2.7634 | |
| 332 | F | A | -2.1434 | |
| 333 | F | A | 0.0000 | |
| 334 | P | A | 0.0000 | |
| 335 | M | A | 0.0000 | |
| 336 | H | A | -0.6019 | |
| 337 | G | A | 0.0000 | |
| 338 | N | A | 0.0000 | |
| 339 | L | A | 0.0000 | |
| 340 | I | A | 1.3259 | |
| 341 | F | A | 0.2017 | |
| 342 | G | A | -1.1990 | |
| 343 | K | A | -2.4394 | |
| 344 | E | A | -2.5010 | |
| 345 | G | A | -1.6302 | |
| 346 | T | A | -1.9072 | |
| 347 | T | A | -1.1605 | |
| 348 | A | A | -0.4594 | |
| 349 | S | A | -1.0358 | |
| 350 | N | A | -1.7632 | |
| 351 | A | A | -1.8560 | |
| 352 | E | A | -2.3760 | |
| 353 | L | A | -1.2218 | |
| 354 | D | A | -2.3429 | |
| 355 | N | A | -2.3683 | |
| 356 | V | A | -0.9282 | |
| 357 | M | A | 0.0000 | |
| 358 | I | A | 0.3815 | |
| 359 | T | A | 0.0000 | |
| 360 | D | A | -1.1443 | |
| 361 | E | A | 0.0000 | |
| 362 | E | A | -2.0802 | |
| 363 | E | A | -1.3068 | |
| 364 | I | A | 0.0000 | |
| 365 | R | A | -1.2364 | |
| 366 | T | A | -0.7291 | |
| 367 | T | A | 0.0000 | |
| 368 | N | A | 0.0000 | |
| 369 | P | A | -0.3851 | |
| 370 | V | A | -0.6006 | |
| 371 | A | A | 0.0000 | |
| 372 | T | A | -1.2987 | |
| 373 | E | A | -1.5552 | |
| 374 | Q | A | -1.5607 | |
| 375 | Y | A | -0.8302 | |
| 376 | G | A | -0.6969 | |
| 377 | T | A | -0.4439 | |
| 378 | V | A | 0.1468 | |
| 379 | A | A | -0.6203 | |
| 380 | N | A | -1.7144 | |
| 381 | N | A | -0.9579 | |
| 382 | L | A | 0.3214 | |
| 383 | Q | A | -1.2050 | |
| 384 | S | A | -1.0420 | |
| 385 | S | A | -1.1871 | |
| 386 | N | A | -1.6734 | |
| 387 | T | A | -1.0222 | |
| 388 | A | A | -0.6966 | |
| 389 | P | A | -0.9015 | |
| 390 | T | A | -0.9466 | |
| 391 | T | A | -1.2536 | |
| 392 | R | A | -2.0231 | |
| 393 | T | A | -1.2843 | |
| 394 | V | A | -1.2296 | |
| 395 | N | A | -2.0975 | |
| 396 | D | A | -2.3578 | |
| 397 | Q | A | -1.3233 | |
| 398 | G | A | -0.7374 | |
| 399 | A | A | 0.3656 | |
| 400 | L | A | 0.6759 | |
| 401 | P | A | 0.3231 | |
| 402 | G | A | 0.2137 | |
| 403 | M | A | 0.0000 | |
| 404 | V | A | 1.0268 | |
| 405 | W | A | 0.3958 | |
| 406 | Q | A | -0.3195 | |
| 407 | D | A | -0.4872 | |
| 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 | -0.3859 | |
| 416 | I | A | 0.0000 | |
| 417 | W | A | 0.0000 | |
| 418 | A | A | -0.4539 | |
| 419 | K | A | -1.2127 | |
| 420 | I | A | -1.3301 | |
| 421 | P | A | -1.4541 | |
| 422 | H | A | -2.1004 | |
| 423 | T | A | -1.7890 | |
| 424 | D | A | -2.4759 | |
| 425 | G | A | -1.5875 | |
| 426 | H | A | -0.9708 | |
| 427 | F | A | 1.0016 | |
| 428 | H | A | -0.1009 | |
| 429 | P | A | -0.2541 | |
| 430 | S | A | 0.0783 | |
| 431 | P | A | 0.2945 | |
| 432 | L | A | 0.9239 | |
| 433 | M | A | 0.4564 | |
| 434 | G | A | 0.0000 | |
| 435 | G | A | -0.0180 | |
| 436 | F | A | 0.0000 | |
| 437 | G | A | -0.7498 | |
| 438 | L | A | 0.0000 | |
| 439 | K | A | -2.5077 | |
| 440 | H | A | -2.2901 | |
| 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 | 0.1604 | |
| 451 | P | A | 0.1251 | |
| 452 | V | A | 0.4541 | |
| 453 | P | A | 0.1967 | |
| 454 | A | A | -0.2000 | |
| 455 | N | A | -1.3174 | |
| 456 | P | A | -0.5782 | |
| 457 | P | A | -0.3310 | |
| 458 | T | A | -0.0084 | |
| 459 | T | A | 0.6733 | |
| 460 | F | A | 1.6684 | |
| 461 | S | A | 0.4242 | |
| 462 | P | A | -0.1430 | |
| 463 | A | A | -0.4169 | |
| 464 | K | A | -1.2348 | |
| 465 | F | A | 0.2368 | |
| 466 | A | A | 0.0061 | |
| 467 | S | A | -0.1323 | |
| 468 | F | A | 0.4262 | |
| 469 | I | A | 0.6871 | |
| 470 | T | A | 0.1860 | |
| 471 | Q | A | 0.0000 | |
| 472 | Y | A | 0.3486 | |
| 473 | S | A | 0.0000 | |
| 474 | T | A | 0.0621 | |
| 475 | G | A | 0.0000 | |
| 476 | Q | A | -0.3232 | |
| 477 | V | A | 0.0000 | |
| 478 | S | A | -0.6936 | |
| 479 | V | A | 0.0000 | |
| 480 | E | A | -1.2611 | |
| 481 | I | A | 0.0000 | |
| 482 | E | A | -1.1549 | |
| 483 | W | A | 0.0000 | |
| 484 | E | A | -1.5443 | |
| 485 | L | A | 0.0000 | |
| 486 | Q | A | -1.8268 | |
| 487 | K | A | -2.4230 | |
| 488 | E | A | -2.2198 | |
| 489 | N | A | -2.5462 | |
| 490 | S | A | -2.2376 | |
| 491 | K | A | -2.4091 | |
| 492 | R | A | -1.9178 | |
| 493 | W | A | -0.0478 | |
| 494 | N | A | -0.4997 | |
| 495 | P | A | -0.1879 | |
| 496 | E | A | 0.2348 | |
| 497 | I | A | 1.5507 | |
| 498 | Q | A | 0.1684 | |
| 499 | Y | A | 0.0000 | |
| 500 | T | A | -0.2111 | |
| 501 | S | A | -0.6369 | |
| 502 | N | A | -1.2079 | |
| 503 | Y | A | -0.3612 | |
| 504 | N | A | -1.9136 | |
| 505 | K | A | -1.8408 | |
| 506 | S | A | -0.4355 | |
| 507 | V | A | 1.0957 | |
| 508 | N | A | 0.2892 | |
| 509 | V | A | 1.0880 | |
| 510 | D | A | 0.2289 | |
| 511 | F | A | 0.1857 | |
| 512 | T | A | 0.7114 | |
| 513 | V | A | 0.6319 | |
| 514 | D | A | -0.2983 | |
| 515 | T | A | -0.8987 | |
| 516 | N | A | -1.2580 | |
| 517 | G | A | -0.5838 | |
| 518 | V | A | 0.2538 | |
| 519 | Y | A | 0.3408 | |
| 520 | S | A | -0.3675 | |
| 521 | E | A | -0.8603 | |
| 522 | P | A | -0.8518 | |
| 523 | R | A | -0.8247 | |
| 524 | P | A | -0.3774 | |
| 525 | I | A | 0.0000 | |
| 526 | G | A | -0.2437 | |
| 527 | T | A | 0.0000 | |
| 528 | R | A | 0.0000 | |
| 529 | Y | A | 0.3923 | |
| 530 | L | A | 0.0000 | |
| 531 | T | A | -0.7124 | |
| 532 | R | A | -1.7274 | |
| 533 | N | A | -1.3669 | |
| 534 | L | A | 0.0492 |
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 | -0.2075 | 4.9094 | View | CSV | PDB |
| 4.5 | -0.2493 | 4.9094 | View | CSV | PDB |
| 5.0 | -0.2978 | 4.9094 | View | CSV | PDB |
| 5.5 | -0.3453 | 4.9094 | View | CSV | PDB |
| 6.0 | -0.3844 | 4.9094 | View | CSV | PDB |
| 6.5 | -0.4105 | 4.9094 | View | CSV | PDB |
| 7.0 | -0.425 | 4.9094 | View | CSV | PDB |
| 7.5 | -0.4327 | 4.9094 | View | CSV | PDB |
| 8.0 | -0.4362 | 4.9094 | View | CSV | PDB |
| 8.5 | -0.4343 | 4.9094 | View | CSV | PDB |
| 9.0 | -0.4248 | 4.9094 | 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