| Chain sequence(s) | DGVGNASGNWHCDSTWLGDRVITTSTRTWALPTYNNHLYKQISSASTGASNDNHYFGYSTPWGYFDFNRFHCHFSPRDWQRLINNNWGFRPKRLNFKLFNIQVKEVTTNDGVTTIANNLTSTVQVFSDSEYQLPYVLGSAHQGCLPPFPADVFMIPQYGYLTLNNGSQAVGRSSFYCLEYFPSQMLRTGNNFTFSYTFEEVPFHSSYAHSQSLDRLMNPLIDQYLYYLNRTQNQSGSAQNKDLLFSRGSPAGMSVQPKNWLPGPCYRQQRVSKTKTDNNNSNFTWTGASKYNLNGRESIINPGTAMASHKDDEDKFFPMSGVMIFGKESAGASNTALDNVMITDEEEIKATNPVATERFGTVAVNFQSSSTDPATGDVHAMGALPGMVWQDRDVYLQGPIWAKIPHTDGHFHPSPLMGGFGLKNPPPQILIKNTPVPANPPAEFSATKFASFITQYSTGQVSVEIEWELQKENSKRWNPEVQYTSNYAKSANVDFTVDNNGLYTEPRPIGTRYLTRPL 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 (00:03:28)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/c82e6380622522/tmp/folded.pdb (00:03:28)
[INFO] Main: Simulation completed successfully. (00:11:11)
|
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 | |
| 17 | D | A | -2.3675 | |
| 18 | G | A | -1.2375 | |
| 19 | V | A | 0.3176 | |
| 20 | G | A | -0.6767 | |
| 21 | N | A | -1.7701 | |
| 22 | A | A | -1.3203 | |
| 23 | S | A | -1.4133 | |
| 24 | G | A | -1.1539 | |
| 25 | N | A | -1.1212 | |
| 26 | W | A | -0.3083 | |
| 27 | H | A | -1.2349 | |
| 28 | C | A | -1.0197 | |
| 29 | D | A | -1.8183 | |
| 30 | S | A | -0.8511 | |
| 31 | T | A | -0.1917 | |
| 32 | W | A | 0.1078 | |
| 33 | L | A | 0.3342 | |
| 34 | G | A | -0.9382 | |
| 35 | D | A | -1.8228 | |
| 36 | R | A | -1.0537 | |
| 37 | V | A | 0.0000 | |
| 38 | I | A | -0.2368 | |
| 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 | 0.4138 | |
| 45 | W | A | 0.0000 | |
| 46 | A | A | 0.7007 | |
| 47 | L | A | 0.0000 | |
| 48 | P | A | 0.0641 | |
| 49 | T | A | -0.2958 | |
| 50 | Y | A | -0.3508 | |
| 51 | N | A | -0.9208 | |
| 52 | N | A | -1.1950 | |
| 53 | H | A | -0.4862 | |
| 54 | L | A | -0.2034 | |
| 55 | Y | A | -0.4344 | |
| 56 | K | A | -1.4214 | |
| 57 | Q | A | -0.9715 | |
| 58 | I | A | 0.1205 | |
| 59 | S | A | 0.0003 | |
| 60 | S | A | 0.0000 | |
| 61 | A | A | -0.2862 | |
| 62 | S | A | -0.2924 | |
| 63 | T | A | -0.5760 | |
| 64 | G | A | -0.9141 | |
| 65 | A | A | -1.1738 | |
| 66 | S | A | -1.6553 | |
| 67 | N | A | -2.5634 | |
| 68 | D | A | -2.4896 | |
| 69 | N | A | -2.2401 | |
| 70 | H | A | -1.7785 | |
| 71 | Y | A | -0.0288 | |
| 72 | F | A | 0.4701 | |
| 73 | G | A | 0.0000 | |
| 74 | Y | A | 0.2289 | |
| 75 | S | A | -0.3544 | |
| 76 | T | A | 0.0000 | |
| 77 | P | A | 0.0000 | |
| 78 | W | A | 0.0000 | |
| 79 | G | A | 0.0000 | |
| 80 | Y | A | 0.0000 | |
| 81 | F | A | 0.0000 | |
| 82 | D | A | 0.0000 | |
| 83 | F | A | 0.0000 | |
| 84 | N | A | 0.0000 | |
| 85 | R | A | -0.5141 | |
| 86 | F | A | 0.0000 | |
| 87 | H | A | 0.0000 | |
| 88 | C | A | 0.0000 | |
| 89 | H | A | 0.0000 | |
| 90 | F | A | 0.0000 | |
| 91 | S | A | -1.1107 | |
| 92 | P | A | -1.3774 | |
| 93 | R | A | -2.3403 | |
| 94 | D | A | -1.6085 | |
| 95 | W | A | 0.0000 | |
| 96 | Q | A | -1.7377 | |
| 97 | R | A | -2.1207 | |
| 98 | L | A | 0.0000 | |
| 99 | I | A | 0.0000 | |
| 100 | N | A | -1.0218 | |
| 101 | N | A | -2.2296 | |
| 102 | N | A | 0.0000 | |
| 103 | W | A | -1.1442 | |
| 104 | G | A | 0.0000 | |
| 105 | F | A | 0.0000 | |
| 106 | R | A | -0.8085 | |
| 107 | P | A | 0.0000 | |
| 108 | K | A | -1.7836 | |
| 109 | R | A | -1.7942 | |
| 110 | L | A | 0.0000 | |
| 111 | N | A | -0.9277 | |
| 112 | F | A | 0.0000 | |
| 113 | K | A | -0.7156 | |
| 114 | L | A | 0.0000 | |
| 115 | F | A | 0.0000 | |
| 116 | N | A | -1.1686 | |
| 117 | I | A | 0.0000 | |
| 118 | Q | A | -1.1041 | |
| 119 | V | A | 0.0000 | |
| 120 | K | A | -0.5131 | |
| 121 | E | A | -0.1560 | |
| 122 | V | A | 0.4966 | |
| 123 | T | A | 0.2488 | |
| 124 | T | A | -0.4625 | |
| 125 | N | A | -1.7789 | |
| 126 | D | A | -2.0997 | |
| 127 | G | A | -0.9337 | |
| 128 | V | A | 0.4979 | |
| 129 | T | A | 0.4532 | |
| 130 | T | A | 0.7559 | |
| 131 | I | A | 1.0994 | |
| 132 | A | A | 0.0214 | |
| 133 | N | A | -1.0936 | |
| 134 | N | A | -0.6263 | |
| 135 | L | A | 0.2520 | |
| 136 | T | A | -0.0812 | |
| 137 | S | A | 0.0000 | |
| 138 | T | A | 0.0000 | |
| 139 | V | A | 0.0000 | |
| 140 | Q | A | -0.5884 | |
| 141 | V | A | 0.0000 | |
| 142 | F | A | 0.0000 | |
| 143 | S | A | -0.4260 | |
| 144 | D | A | 0.0000 | |
| 145 | S | A | -1.3137 | |
| 146 | E | A | -2.2830 | |
| 147 | Y | A | -1.5456 | |
| 148 | Q | A | -1.3412 | |
| 149 | L | A | 0.0000 | |
| 150 | P | A | 0.2330 | |
| 151 | Y | A | 0.0341 | |
| 152 | V | A | 0.2443 | |
| 153 | L | A | 0.0000 | |
| 154 | G | A | -0.4531 | |
| 155 | S | A | -0.5568 | |
| 156 | A | A | -0.6779 | |
| 157 | H | A | -1.1938 | |
| 158 | Q | A | -1.5122 | |
| 159 | G | A | -0.6025 | |
| 160 | C | A | -0.4075 | |
| 161 | L | A | 0.0000 | |
| 162 | P | A | -0.0878 | |
| 163 | P | A | -0.2352 | |
| 164 | F | A | 0.3626 | |
| 165 | P | A | -0.0815 | |
| 166 | A | A | -0.2223 | |
| 167 | D | A | -0.6086 | |
| 168 | V | A | 1.2092 | |
| 169 | F | A | 0.0000 | |
| 170 | M | A | 1.3539 | |
| 171 | I | A | 0.0000 | |
| 172 | P | A | -0.2585 | |
| 173 | Q | A | -0.3495 | |
| 174 | Y | A | 0.0000 | |
| 175 | G | A | -0.0557 | |
| 176 | Y | A | 0.0000 | |
| 177 | L | A | 1.9961 | |
| 178 | T | A | 1.2811 | |
| 179 | L | A | 0.4121 | |
| 180 | N | A | -0.6107 | |
| 181 | N | A | -1.8350 | |
| 182 | G | A | -1.7064 | |
| 183 | S | A | -1.1905 | |
| 184 | Q | A | -1.4623 | |
| 185 | A | A | -0.9311 | |
| 186 | V | A | -0.8893 | |
| 187 | G | A | -1.1048 | |
| 188 | R | A | -1.6657 | |
| 189 | S | A | -0.4262 | |
| 190 | S | A | 0.5303 | |
| 191 | F | A | 1.4097 | |
| 192 | Y | A | 1.0654 | |
| 193 | C | A | 0.8338 | |
| 194 | L | A | 0.0000 | |
| 195 | E | A | -0.3584 | |
| 196 | Y | A | 0.9613 | |
| 197 | F | A | 0.2313 | |
| 198 | P | A | -0.2720 | |
| 199 | S | A | -0.5818 | |
| 200 | Q | A | -1.2340 | |
| 201 | M | A | -0.4732 | |
| 202 | L | A | 0.0000 | |
| 203 | R | A | -1.7347 | |
| 204 | T | A | -1.4177 | |
| 205 | G | A | -1.6811 | |
| 206 | N | A | -2.0988 | |
| 207 | N | A | -1.6977 | |
| 208 | F | A | -0.5318 | |
| 209 | T | A | -0.2981 | |
| 210 | F | A | -0.0251 | |
| 211 | S | A | -0.5251 | |
| 212 | Y | A | -0.5443 | |
| 213 | T | A | -1.2760 | |
| 214 | F | A | 0.0000 | |
| 215 | E | A | -2.1209 | |
| 216 | E | A | -2.1390 | |
| 217 | V | A | 0.0000 | |
| 218 | P | A | -0.4554 | |
| 219 | F | A | 0.0594 | |
| 220 | H | A | 0.0000 | |
| 221 | S | A | -0.0044 | |
| 222 | S | A | 0.0000 | |
| 223 | Y | A | -0.3515 | |
| 224 | A | A | -0.6062 | |
| 225 | H | A | -0.7195 | |
| 226 | S | A | -0.8878 | |
| 227 | Q | A | -1.0286 | |
| 228 | S | A | -0.8836 | |
| 229 | L | A | 0.0000 | |
| 230 | D | A | -1.5803 | |
| 231 | R | A | -1.3125 | |
| 232 | L | A | -0.3802 | |
| 233 | M | A | -0.1876 | |
| 234 | N | A | 0.0585 | |
| 235 | P | A | 0.4640 | |
| 236 | L | A | 1.8210 | |
| 237 | I | A | 1.7300 | |
| 238 | D | A | -0.6569 | |
| 239 | Q | A | -0.0304 | |
| 240 | Y | A | 1.2339 | |
| 241 | L | A | 1.1248 | |
| 242 | Y | A | 1.9411 | |
| 243 | Y | A | 1.5609 | |
| 244 | L | A | 1.8204 | |
| 245 | N | A | 0.3450 | |
| 246 | R | A | -0.5883 | |
| 247 | T | A | -1.0561 | |
| 248 | Q | A | -2.7574 | |
| 249 | N | A | -2.6990 | |
| 250 | Q | A | -2.4638 | |
| 251 | S | A | -1.6742 | |
| 252 | G | A | -1.2085 | |
| 253 | S | A | -1.0622 | |
| 254 | A | A | -1.7127 | |
| 255 | Q | A | -2.9456 | |
| 256 | N | A | -3.4277 | |
| 257 | K | A | -3.2414 | |
| 258 | D | A | -1.6966 | |
| 259 | L | A | 1.1376 | |
| 260 | L | A | 1.1836 | |
| 261 | F | A | 2.3843 | |
| 262 | S | A | 0.7640 | |
| 263 | R | A | -0.3897 | |
| 264 | G | A | 0.0000 | |
| 265 | S | A | -0.1925 | |
| 266 | P | A | 0.0699 | |
| 267 | A | A | 0.0042 | |
| 268 | G | A | 0.0266 | |
| 269 | M | A | -0.0761 | |
| 270 | S | A | -0.0807 | |
| 271 | V | A | 0.8479 | |
| 272 | Q | A | 0.0000 | |
| 273 | P | A | -0.3849 | |
| 274 | K | A | -1.3182 | |
| 275 | N | A | -1.3602 | |
| 276 | W | A | 0.1000 | |
| 277 | L | A | 0.4630 | |
| 278 | P | A | 0.4332 | |
| 279 | G | A | 0.0000 | |
| 280 | P | A | 0.3118 | |
| 281 | C | A | 0.0000 | |
| 282 | Y | A | 0.0293 | |
| 283 | R | A | -1.1271 | |
| 284 | Q | A | 0.0000 | |
| 285 | Q | A | -1.3216 | |
| 286 | R | A | -1.6511 | |
| 287 | V | A | -1.5543 | |
| 288 | S | A | 0.0000 | |
| 289 | K | A | -1.8080 | |
| 290 | T | A | -1.8157 | |
| 291 | K | A | -2.7611 | |
| 292 | T | A | -2.2390 | |
| 293 | D | A | -2.9022 | |
| 294 | N | A | -2.8102 | |
| 295 | N | A | -2.8190 | |
| 296 | N | A | -2.6936 | |
| 297 | S | A | -1.8210 | |
| 298 | N | A | -1.6421 | |
| 299 | F | A | -0.7467 | |
| 300 | T | A | -0.0711 | |
| 301 | W | A | 0.3264 | |
| 302 | T | A | -0.0761 | |
| 303 | G | A | -0.4420 | |
| 304 | A | A | -0.1304 | |
| 305 | S | A | -0.0705 | |
| 306 | K | A | 0.0240 | |
| 307 | Y | A | 0.3135 | |
| 308 | N | A | -1.2519 | |
| 309 | L | A | -0.6540 | |
| 310 | N | A | -1.8164 | |
| 311 | G | A | -1.6987 | |
| 312 | R | A | -2.2302 | |
| 313 | E | A | -1.5416 | |
| 314 | S | A | -0.4308 | |
| 315 | I | A | 0.2383 | |
| 316 | I | A | 0.1815 | |
| 317 | N | A | -0.7971 | |
| 318 | P | A | 0.0000 | |
| 319 | G | A | 0.0791 | |
| 320 | T | A | 0.1223 | |
| 321 | A | A | 0.2268 | |
| 322 | M | A | 0.0000 | |
| 323 | A | A | 0.0000 | |
| 324 | S | A | 0.0000 | |
| 325 | H | A | 0.0000 | |
| 326 | K | A | -3.1032 | |
| 327 | D | A | -3.8827 | |
| 328 | D | A | -3.8525 | |
| 329 | E | A | -3.5164 | |
| 330 | D | A | -3.8957 | |
| 331 | K | A | -2.6672 | |
| 332 | F | A | -2.0283 | |
| 333 | F | A | 0.0000 | |
| 334 | P | A | 0.0000 | |
| 335 | M | A | -0.4959 | |
| 336 | S | A | -0.3513 | |
| 337 | G | A | 0.0000 | |
| 338 | V | A | 0.0000 | |
| 339 | M | A | 0.0000 | |
| 340 | I | A | 1.3434 | |
| 341 | F | A | 0.2450 | |
| 342 | G | A | -1.1161 | |
| 343 | K | A | -2.2005 | |
| 344 | E | A | -2.3520 | |
| 345 | S | A | -1.7667 | |
| 346 | A | A | -1.6403 | |
| 347 | G | A | -1.2575 | |
| 348 | A | A | -0.6166 | |
| 349 | S | A | -0.9423 | |
| 350 | N | A | -1.3790 | |
| 351 | T | A | -1.0633 | |
| 352 | A | A | -0.6841 | |
| 353 | L | A | -0.6728 | |
| 354 | D | A | -1.6839 | |
| 355 | N | A | -1.5737 | |
| 356 | V | A | -0.5672 | |
| 357 | M | A | 0.0000 | |
| 358 | I | A | 0.4088 | |
| 359 | T | A | 0.0000 | |
| 360 | D | A | -1.2272 | |
| 361 | E | A | 0.0000 | |
| 362 | E | A | -2.3236 | |
| 363 | E | A | -1.5379 | |
| 364 | I | A | 0.0000 | |
| 365 | K | A | -1.4426 | |
| 366 | A | A | -0.8926 | |
| 367 | T | A | 0.0000 | |
| 368 | N | A | 0.0000 | |
| 369 | P | A | -0.3856 | |
| 370 | V | A | -0.6226 | |
| 371 | A | A | 0.0000 | |
| 372 | T | A | -1.2820 | |
| 373 | E | A | -1.7995 | |
| 374 | R | A | -2.0387 | |
| 375 | F | A | -0.7587 | |
| 376 | G | A | -0.7835 | |
| 377 | T | A | -0.2807 | |
| 378 | V | A | 1.0147 | |
| 379 | A | A | 1.1008 | |
| 380 | V | A | 1.7370 | |
| 381 | N | A | 0.6251 | |
| 382 | F | A | 1.0229 | |
| 383 | Q | A | -1.0911 | |
| 384 | S | A | -1.0492 | |
| 385 | S | A | -1.1785 | |
| 386 | S | A | -1.0439 | |
| 387 | T | A | -1.3363 | |
| 388 | D | A | -2.2410 | |
| 389 | P | A | -1.0710 | |
| 390 | A | A | -0.0231 | |
| 391 | T | A | 0.2987 | |
| 392 | G | A | -0.2627 | |
| 393 | D | A | -1.7192 | |
| 394 | V | A | -1.0536 | |
| 395 | H | A | -1.3924 | |
| 396 | A | A | -0.4580 | |
| 397 | M | A | -0.0583 | |
| 398 | G | A | -0.0895 | |
| 399 | A | A | 0.4024 | |
| 400 | L | A | 0.5828 | |
| 401 | P | A | 0.1801 | |
| 402 | G | A | 0.0395 | |
| 403 | M | A | 0.5776 | |
| 404 | V | A | 0.9188 | |
| 405 | W | A | 0.3828 | |
| 406 | Q | A | -0.3140 | |
| 407 | D | A | -0.4113 | |
| 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 | -0.3442 | |
| 416 | I | A | 0.0000 | |
| 417 | W | A | 0.0000 | |
| 418 | A | A | -0.6093 | |
| 419 | K | A | -1.4330 | |
| 420 | I | A | 0.0000 | |
| 421 | P | A | -1.5867 | |
| 422 | H | A | -2.0656 | |
| 423 | T | A | -1.8227 | |
| 424 | D | A | -2.4740 | |
| 425 | G | A | -1.6588 | |
| 426 | H | A | -1.0012 | |
| 427 | F | A | 1.0299 | |
| 428 | H | A | -0.1040 | |
| 429 | P | A | -0.3136 | |
| 430 | S | A | -0.0348 | |
| 431 | P | A | 0.2533 | |
| 432 | L | A | 0.9657 | |
| 433 | M | A | 0.4288 | |
| 434 | G | A | 0.0000 | |
| 435 | G | A | 0.0374 | |
| 436 | F | A | 0.0000 | |
| 437 | G | A | -0.8692 | |
| 438 | L | A | 0.0000 | |
| 439 | K | A | -2.7291 | |
| 440 | N | A | -2.5276 | |
| 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 | L | A | 0.0000 | |
| 447 | I | A | 0.0000 | |
| 448 | K | A | 0.0000 | |
| 449 | N | A | 0.0000 | |
| 450 | T | A | 0.1354 | |
| 451 | P | A | 0.0909 | |
| 452 | V | A | 0.3383 | |
| 453 | P | A | 0.1064 | |
| 454 | A | A | -0.3055 | |
| 455 | N | A | -1.3292 | |
| 456 | P | A | -0.8764 | |
| 457 | P | A | -0.8335 | |
| 458 | A | A | -0.7441 | |
| 459 | E | A | -1.0145 | |
| 460 | F | A | 0.8993 | |
| 461 | S | A | 0.0661 | |
| 462 | A | A | 0.0499 | |
| 463 | T | A | -0.4767 | |
| 464 | K | A | -1.3762 | |
| 465 | F | A | -0.1231 | |
| 466 | A | A | -0.1757 | |
| 467 | S | A | -0.2854 | |
| 468 | F | A | 0.2395 | |
| 469 | I | A | 0.5541 | |
| 470 | T | A | 0.1183 | |
| 471 | Q | A | 0.0000 | |
| 472 | Y | A | 0.3207 | |
| 473 | S | A | 0.0000 | |
| 474 | T | A | 0.0137 | |
| 475 | G | A | 0.0000 | |
| 476 | Q | A | -0.3366 | |
| 477 | V | A | 0.0000 | |
| 478 | S | A | -0.5699 | |
| 479 | V | A | 0.0000 | |
| 480 | E | A | -1.0922 | |
| 481 | I | A | 0.0000 | |
| 482 | E | A | -0.9338 | |
| 483 | W | A | 0.0000 | |
| 484 | E | A | -1.2124 | |
| 485 | L | A | 0.0000 | |
| 486 | Q | A | -2.0399 | |
| 487 | K | A | -2.8758 | |
| 488 | E | A | -2.7167 | |
| 489 | N | A | -2.7496 | |
| 490 | S | A | -2.1976 | |
| 491 | K | A | -2.3622 | |
| 492 | R | A | -1.6197 | |
| 493 | W | A | 0.0837 | |
| 494 | N | A | -0.1785 | |
| 495 | P | A | -0.1395 | |
| 496 | E | A | 0.1795 | |
| 497 | V | A | 1.2614 | |
| 498 | Q | A | -0.1453 | |
| 499 | Y | A | -0.2144 | |
| 500 | T | A | -0.4274 | |
| 501 | S | A | -0.5100 | |
| 502 | N | A | -0.9022 | |
| 503 | Y | A | 0.2894 | |
| 504 | A | A | -0.4086 | |
| 505 | K | A | -1.6207 | |
| 506 | S | A | -1.1098 | |
| 507 | A | A | -0.8095 | |
| 508 | N | A | -1.0615 | |
| 509 | V | A | 0.3596 | |
| 510 | D | A | -0.6417 | |
| 511 | F | A | -0.2623 | |
| 512 | T | A | 0.3532 | |
| 513 | V | A | 0.3110 | |
| 514 | D | A | -1.1446 | |
| 515 | N | A | -2.1060 | |
| 516 | N | A | -1.8574 | |
| 517 | G | A | -1.0816 | |
| 518 | L | A | -0.1721 | |
| 519 | Y | A | -0.0168 | |
| 520 | T | A | -0.3152 | |
| 521 | E | A | -0.9698 | |
| 522 | P | A | -0.8154 | |
| 523 | R | A | -0.8760 | |
| 524 | P | A | -0.3547 | |
| 525 | I | A | 0.0000 | |
| 526 | G | A | -0.1978 | |
| 527 | T | A | 0.0000 | |
| 528 | R | A | 0.0000 | |
| 529 | Y | A | 0.2911 | |
| 530 | L | A | 0.0000 | |
| 531 | T | A | -0.5201 | |
| 532 | R | A | -1.4523 | |
| 533 | P | A | -0.6475 | |
| 534 | L | A | 0.4634 |
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 | -0.1199 | 4.4331 | View | CSV | PDB |
| 4.5 | -0.1672 | 4.4153 | View | CSV | PDB |
| 5.0 | -0.2218 | 4.3957 | View | CSV | PDB |
| 5.5 | -0.2755 | 4.3754 | View | CSV | PDB |
| 6.0 | -0.3209 | 4.355 | View | CSV | PDB |
| 6.5 | -0.3527 | 4.3344 | View | CSV | PDB |
| 7.0 | -0.3715 | 4.314 | View | CSV | PDB |
| 7.5 | -0.3815 | 4.294 | View | CSV | PDB |
| 8.0 | -0.3852 | 4.2751 | View | CSV | PDB |
| 8.5 | -0.3818 | 4.2589 | View | CSV | PDB |
| 9.0 | -0.3687 | 4.2475 | 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