| Chain sequence(s) | GADGVGNASGNWHCDSTWLGDRVITTSTRTWALPTYNNHLYKQISSASTGASNDNHYFGYSTPWGYFDFNRFHCHFSPRDWQRLINNNWGFRPKRLNFKLFNIQVKEVTTNDGVTTIANNLTSTVQVFSDSEYQLPYVLGSAHQGCLPPFPADVFMIPQYGYLTLNNGSQAVGRSSFYCLEYFPSQMLRTGNNFTFSYTFEDVPFHSSYAHSQSLDRLMNPLIDQYLYYLNRTQNQSGSAQNKDLLFSRGSPAGMSVQPKNWLPGPCYRQQRVSKTKTDNNNSNFTWTGASKYNLNGRESIINPGTAMASHKDDKDKFFPMSGVMIFGKESAGASNTALDNVMITDEEEIKATNPVATERFGTVAVNLQSSSTDPATGDVHVMGALPGMVWQDRDVYLQGPIWAKIPHTDGHFHPSPLMGGFGLKHPPPQILIKNTPVPANPPAEFSATKFASFITQYSTGQVSVEIEWELQKENSKRWNPEVQYTSNYAKSANVDFTVDNNGLYTEPRPIGTRYLTRPL 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 (00:03:36)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/3d0f1f95a80749/tmp/folded.pdb (00:03:36)
[INFO] Main: Simulation completed successfully. (00:11:40)
|
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 | -1.0371 | |
| 16 | A | A | -1.4079 | |
| 17 | D | A | -2.2936 | |
| 18 | G | A | -1.0809 | |
| 19 | V | A | 0.4252 | |
| 20 | G | A | -0.6068 | |
| 21 | N | A | -1.5737 | |
| 22 | A | A | -1.1414 | |
| 23 | S | A | -1.2146 | |
| 24 | G | A | -1.0998 | |
| 25 | N | A | -1.1268 | |
| 26 | W | A | -0.3048 | |
| 27 | H | A | -1.2153 | |
| 28 | C | A | -1.0305 | |
| 29 | D | A | -1.8063 | |
| 30 | S | A | -0.8686 | |
| 31 | T | A | -0.4839 | |
| 32 | W | A | -0.5553 | |
| 33 | L | A | -0.6802 | |
| 34 | G | A | -1.6429 | |
| 35 | D | A | -2.9207 | |
| 36 | R | A | -2.7065 | |
| 37 | V | A | 0.0000 | |
| 38 | I | A | -0.7374 | |
| 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 | 0.3841 | |
| 45 | W | A | 0.0000 | |
| 46 | A | A | 0.6927 | |
| 47 | L | A | 0.0000 | |
| 48 | P | A | 0.1020 | |
| 49 | T | A | -0.1831 | |
| 50 | Y | A | -0.1486 | |
| 51 | N | A | -0.5568 | |
| 52 | N | A | -0.9236 | |
| 53 | H | A | -0.1263 | |
| 54 | L | A | 0.5438 | |
| 55 | Y | A | -0.0249 | |
| 56 | K | A | -1.1342 | |
| 57 | Q | A | -0.8788 | |
| 58 | I | A | 0.0872 | |
| 59 | S | A | -0.0813 | |
| 60 | S | A | 0.0000 | |
| 61 | A | A | -0.3062 | |
| 62 | S | A | -0.3815 | |
| 63 | T | A | -0.5761 | |
| 64 | G | A | -0.9022 | |
| 65 | A | A | -1.1580 | |
| 66 | S | A | -1.6240 | |
| 67 | N | A | -2.4832 | |
| 68 | D | A | -2.4915 | |
| 69 | N | A | -2.2317 | |
| 70 | H | A | -1.7955 | |
| 71 | Y | A | -0.1518 | |
| 72 | F | A | 0.0000 | |
| 73 | G | A | 0.0000 | |
| 74 | Y | A | 0.2181 | |
| 75 | S | A | -0.1729 | |
| 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 | -0.6404 | |
| 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 | -1.0095 | |
| 92 | P | A | -1.3555 | |
| 93 | R | A | -2.4059 | |
| 94 | D | A | 0.0000 | |
| 95 | W | A | 0.0000 | |
| 96 | Q | A | -2.1151 | |
| 97 | R | A | -2.3236 | |
| 98 | L | A | 0.0000 | |
| 99 | I | A | 0.0000 | |
| 100 | N | A | 0.0000 | |
| 101 | N | A | -1.9247 | |
| 102 | N | A | 0.0000 | |
| 103 | W | A | 0.0000 | |
| 104 | G | A | 0.0000 | |
| 105 | F | A | 0.0000 | |
| 106 | R | A | -1.0912 | |
| 107 | P | A | 0.0000 | |
| 108 | K | A | -2.2819 | |
| 109 | R | A | -1.9290 | |
| 110 | L | A | 0.0000 | |
| 111 | N | A | -0.9206 | |
| 112 | F | A | 0.0000 | |
| 113 | K | A | -0.9035 | |
| 114 | L | A | 0.0000 | |
| 115 | F | A | 0.0000 | |
| 116 | N | A | -0.9387 | |
| 117 | I | A | 0.0000 | |
| 118 | Q | A | -1.0220 | |
| 119 | V | A | 0.0000 | |
| 120 | K | A | -0.5557 | |
| 121 | E | A | -0.0894 | |
| 122 | V | A | 0.4544 | |
| 123 | T | A | 0.2446 | |
| 124 | T | A | -0.5138 | |
| 125 | N | A | -1.7819 | |
| 126 | D | A | -2.1080 | |
| 127 | G | A | -0.9330 | |
| 128 | V | A | 0.4959 | |
| 129 | T | A | 0.3991 | |
| 130 | T | A | 0.6986 | |
| 131 | I | A | 0.9523 | |
| 132 | A | A | -0.0543 | |
| 133 | N | A | -1.1352 | |
| 134 | N | A | -0.6430 | |
| 135 | L | A | 0.2162 | |
| 136 | T | A | -0.0306 | |
| 137 | S | A | 0.0000 | |
| 138 | T | A | 0.0000 | |
| 139 | V | A | 0.0000 | |
| 140 | Q | A | -0.4410 | |
| 141 | V | A | 0.0000 | |
| 142 | F | A | 0.0000 | |
| 143 | S | A | -0.4414 | |
| 144 | D | A | 0.0000 | |
| 145 | S | A | -1.2946 | |
| 146 | E | A | -2.2216 | |
| 147 | Y | A | -1.2904 | |
| 148 | Q | A | -1.2816 | |
| 149 | L | A | 0.0000 | |
| 150 | P | A | 0.4106 | |
| 151 | Y | A | 0.0876 | |
| 152 | V | A | 0.3324 | |
| 153 | L | A | 0.0000 | |
| 154 | G | A | -0.3514 | |
| 155 | S | A | -0.5110 | |
| 156 | A | A | -0.7017 | |
| 157 | H | A | -1.2888 | |
| 158 | Q | A | -1.6319 | |
| 159 | G | A | -0.6491 | |
| 160 | C | A | -0.4395 | |
| 161 | L | A | 0.0000 | |
| 162 | P | A | 0.0000 | |
| 163 | P | A | -0.0883 | |
| 164 | F | A | 0.5490 | |
| 165 | P | A | 0.0146 | |
| 166 | A | A | -0.2543 | |
| 167 | D | A | -0.6737 | |
| 168 | V | A | 1.1871 | |
| 169 | F | A | 0.0000 | |
| 170 | M | A | 1.3495 | |
| 171 | I | A | 0.0000 | |
| 172 | P | A | -0.2692 | |
| 173 | Q | A | -0.3308 | |
| 174 | Y | A | 0.0000 | |
| 175 | G | A | -0.0235 | |
| 176 | Y | A | 0.0000 | |
| 177 | L | A | 1.9006 | |
| 178 | T | A | 1.1399 | |
| 179 | L | A | 0.1424 | |
| 180 | N | A | -0.7396 | |
| 181 | N | A | -1.8136 | |
| 182 | G | A | -1.6905 | |
| 183 | S | A | -1.2100 | |
| 184 | Q | A | -1.4540 | |
| 185 | A | A | -0.8653 | |
| 186 | V | A | -0.5926 | |
| 187 | G | A | -0.9626 | |
| 188 | R | A | -1.5966 | |
| 189 | S | A | -0.2755 | |
| 190 | S | A | 0.6191 | |
| 191 | F | A | 1.6128 | |
| 192 | Y | A | 1.1831 | |
| 193 | C | A | 0.9067 | |
| 194 | L | A | 0.0000 | |
| 195 | E | A | -0.1660 | |
| 196 | Y | A | 1.0538 | |
| 197 | F | A | 0.3105 | |
| 198 | P | A | -0.1958 | |
| 199 | S | A | -0.4729 | |
| 200 | Q | A | -1.0049 | |
| 201 | M | A | -0.0262 | |
| 202 | L | A | 0.0000 | |
| 203 | R | A | -1.4993 | |
| 204 | T | A | -1.1411 | |
| 205 | G | A | 0.0000 | |
| 206 | N | A | -1.4273 | |
| 207 | N | A | -1.2300 | |
| 208 | F | A | 0.0000 | |
| 209 | T | A | -0.4415 | |
| 210 | F | A | -0.0665 | |
| 211 | S | A | -0.4959 | |
| 212 | Y | A | -0.5113 | |
| 213 | T | A | -1.2766 | |
| 214 | F | A | 0.0000 | |
| 215 | E | A | -2.0717 | |
| 216 | D | A | -2.1845 | |
| 217 | V | A | 0.0000 | |
| 218 | P | A | -0.3901 | |
| 219 | F | A | 0.0453 | |
| 220 | H | A | 0.0000 | |
| 221 | S | A | -0.0082 | |
| 222 | S | A | 0.0000 | |
| 223 | Y | A | -0.3330 | |
| 224 | A | A | -0.5337 | |
| 225 | H | A | -0.7665 | |
| 226 | S | A | -0.8564 | |
| 227 | Q | A | -0.9757 | |
| 228 | S | A | -0.9870 | |
| 229 | L | A | 0.0000 | |
| 230 | D | A | -1.5520 | |
| 231 | R | A | -1.3871 | |
| 232 | L | A | -0.5259 | |
| 233 | M | A | -0.2638 | |
| 234 | N | A | -0.0268 | |
| 235 | P | A | 0.4161 | |
| 236 | L | A | 1.7928 | |
| 237 | I | A | 1.7025 | |
| 238 | D | A | -0.5922 | |
| 239 | Q | A | 0.0306 | |
| 240 | Y | A | 1.3029 | |
| 241 | L | A | 1.1922 | |
| 242 | Y | A | 2.1188 | |
| 243 | Y | A | 1.6166 | |
| 244 | L | A | 1.7719 | |
| 245 | N | A | 0.2472 | |
| 246 | R | A | -0.5449 | |
| 247 | T | A | -0.8353 | |
| 248 | Q | A | -2.4978 | |
| 249 | N | A | -2.3422 | |
| 250 | Q | A | -2.5395 | |
| 251 | S | A | -1.6155 | |
| 252 | G | A | -1.3715 | |
| 253 | S | A | -1.0883 | |
| 254 | A | A | -1.6872 | |
| 255 | Q | A | -2.9366 | |
| 256 | N | A | -3.4232 | |
| 257 | K | A | -3.0695 | |
| 258 | D | A | -1.5471 | |
| 259 | L | A | 1.1561 | |
| 260 | L | A | 1.2867 | |
| 261 | F | A | 2.3802 | |
| 262 | S | A | 1.0769 | |
| 263 | R | A | 0.1457 | |
| 264 | G | A | 0.0000 | |
| 265 | S | A | -0.0286 | |
| 266 | P | A | 0.2457 | |
| 267 | A | A | 0.0499 | |
| 268 | G | A | 0.0111 | |
| 269 | M | A | -0.2781 | |
| 270 | S | A | 0.0463 | |
| 271 | V | A | 1.0481 | |
| 272 | Q | A | 0.0000 | |
| 273 | P | A | -0.1867 | |
| 274 | K | A | -1.3346 | |
| 275 | N | A | -1.4090 | |
| 276 | W | A | 0.0055 | |
| 277 | L | A | 0.4509 | |
| 278 | P | A | 0.3986 | |
| 279 | G | A | 0.0000 | |
| 280 | P | A | 0.6042 | |
| 281 | C | A | 0.0000 | |
| 282 | Y | A | 0.5216 | |
| 283 | R | A | -0.6949 | |
| 284 | Q | A | 0.0000 | |
| 285 | Q | A | -1.2491 | |
| 286 | R | A | -1.5953 | |
| 287 | V | A | -1.4805 | |
| 288 | S | A | 0.0000 | |
| 289 | K | A | -1.7828 | |
| 290 | T | A | -1.8569 | |
| 291 | K | A | -2.8376 | |
| 292 | T | A | -2.3372 | |
| 293 | D | A | -3.0501 | |
| 294 | N | A | -2.8979 | |
| 295 | N | A | -2.8585 | |
| 296 | N | A | -2.7168 | |
| 297 | S | A | -1.7940 | |
| 298 | N | A | -1.6119 | |
| 299 | F | A | -0.6672 | |
| 300 | T | A | 0.0237 | |
| 301 | W | A | 0.4724 | |
| 302 | T | A | 0.0189 | |
| 303 | G | A | -0.3760 | |
| 304 | A | A | 0.1128 | |
| 305 | S | A | -0.0211 | |
| 306 | K | A | 0.0833 | |
| 307 | Y | A | 0.4213 | |
| 308 | N | A | -1.1438 | |
| 309 | L | A | -0.4673 | |
| 310 | N | A | -1.7181 | |
| 311 | G | A | -1.6215 | |
| 312 | R | A | -2.1166 | |
| 313 | E | A | -1.4585 | |
| 314 | S | A | -0.3692 | |
| 315 | I | A | 0.3379 | |
| 316 | I | A | 0.2067 | |
| 317 | N | A | -0.7865 | |
| 318 | P | A | 0.0000 | |
| 319 | G | A | 0.0000 | |
| 320 | T | A | 0.1028 | |
| 321 | A | A | 0.2134 | |
| 322 | M | A | 0.0000 | |
| 323 | A | A | 0.0000 | |
| 324 | S | A | 0.0000 | |
| 325 | H | A | 0.0000 | |
| 326 | K | A | -3.0833 | |
| 327 | D | A | -3.8174 | |
| 328 | D | A | -3.7842 | |
| 329 | K | A | -3.5315 | |
| 330 | D | A | -3.8265 | |
| 331 | K | A | -2.5360 | |
| 332 | F | A | -1.9648 | |
| 333 | F | A | -1.0262 | |
| 334 | P | A | 0.0000 | |
| 335 | M | A | -0.4299 | |
| 336 | S | A | -0.2957 | |
| 337 | G | A | 0.0000 | |
| 338 | V | A | 0.0000 | |
| 339 | M | A | 0.0000 | |
| 340 | I | A | 1.3294 | |
| 341 | F | A | 0.2396 | |
| 342 | G | A | -1.1812 | |
| 343 | K | A | -2.2886 | |
| 344 | E | A | -2.4153 | |
| 345 | S | A | -1.7951 | |
| 346 | A | A | -1.6861 | |
| 347 | G | A | -1.2678 | |
| 348 | A | A | -0.6164 | |
| 349 | S | A | -0.9422 | |
| 350 | N | A | -1.3939 | |
| 351 | T | A | -1.0872 | |
| 352 | A | A | -0.7119 | |
| 353 | L | A | -0.8156 | |
| 354 | D | A | -1.7659 | |
| 355 | N | A | -1.6555 | |
| 356 | V | A | -0.6539 | |
| 357 | M | A | 0.0000 | |
| 358 | I | A | 0.3898 | |
| 359 | T | A | 0.0000 | |
| 360 | D | A | -1.4920 | |
| 361 | E | A | 0.0000 | |
| 362 | E | A | -2.8733 | |
| 363 | E | A | -2.1683 | |
| 364 | I | A | 0.0000 | |
| 365 | K | A | -1.9392 | |
| 366 | A | A | -1.2138 | |
| 367 | T | A | 0.0000 | |
| 368 | N | A | 0.0000 | |
| 369 | P | A | -0.6395 | |
| 370 | V | A | 0.0000 | |
| 371 | A | A | 0.0000 | |
| 372 | T | A | -1.3320 | |
| 373 | E | A | -1.9908 | |
| 374 | R | A | -1.9683 | |
| 375 | F | A | -0.5487 | |
| 376 | G | A | -0.6510 | |
| 377 | T | A | -0.3091 | |
| 378 | V | A | 1.0250 | |
| 379 | A | A | 1.0369 | |
| 380 | V | A | 1.6463 | |
| 381 | N | A | 0.4199 | |
| 382 | L | A | 0.6238 | |
| 383 | Q | A | -1.2841 | |
| 384 | S | A | -1.1513 | |
| 385 | S | A | -1.2219 | |
| 386 | S | A | -1.0405 | |
| 387 | T | A | -1.4120 | |
| 388 | D | A | -2.3049 | |
| 389 | P | A | -1.1863 | |
| 390 | A | A | -0.0808 | |
| 391 | T | A | 0.2896 | |
| 392 | G | A | -0.3027 | |
| 393 | D | A | -1.6547 | |
| 394 | V | A | -0.6477 | |
| 395 | H | A | -0.6179 | |
| 396 | V | A | 1.1869 | |
| 397 | M | A | 0.7626 | |
| 398 | G | A | 0.3155 | |
| 399 | A | A | 0.4958 | |
| 400 | L | A | 0.7738 | |
| 401 | P | A | 0.2746 | |
| 402 | G | A | 0.0860 | |
| 403 | M | A | 0.6479 | |
| 404 | V | A | 1.0204 | |
| 405 | W | A | 0.4166 | |
| 406 | Q | A | 0.0000 | |
| 407 | D | A | -0.3297 | |
| 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 | -0.3414 | |
| 416 | I | A | 0.0000 | |
| 417 | W | A | 0.0000 | |
| 418 | A | A | -0.4854 | |
| 419 | K | A | -1.2970 | |
| 420 | I | A | 0.0000 | |
| 421 | P | A | -1.5583 | |
| 422 | H | A | -2.0316 | |
| 423 | T | A | -1.8146 | |
| 424 | D | A | -2.4659 | |
| 425 | G | A | -1.5670 | |
| 426 | H | A | -0.9667 | |
| 427 | F | A | 1.0243 | |
| 428 | H | A | -0.0976 | |
| 429 | P | A | -0.2696 | |
| 430 | S | A | -0.0104 | |
| 431 | P | A | 0.2731 | |
| 432 | L | A | 0.9750 | |
| 433 | M | A | 0.3704 | |
| 434 | G | A | 0.0000 | |
| 435 | G | A | 0.0108 | |
| 436 | F | A | 0.0000 | |
| 437 | G | A | -0.7832 | |
| 438 | L | A | 0.0000 | |
| 439 | K | A | -2.4947 | |
| 440 | H | A | -2.1888 | |
| 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 | 0.1510 | |
| 451 | P | A | -0.0193 | |
| 452 | V | A | 0.2475 | |
| 453 | P | A | 0.0648 | |
| 454 | A | A | -0.2808 | |
| 455 | N | A | -1.3204 | |
| 456 | P | A | -0.8496 | |
| 457 | P | A | -0.8229 | |
| 458 | A | A | -0.7300 | |
| 459 | E | A | -0.9995 | |
| 460 | F | A | 0.9285 | |
| 461 | S | A | 0.1503 | |
| 462 | A | A | 0.0996 | |
| 463 | T | A | -0.4346 | |
| 464 | K | A | -1.3351 | |
| 465 | F | A | -0.0380 | |
| 466 | A | A | -0.0930 | |
| 467 | S | A | -0.2526 | |
| 468 | F | A | 0.2971 | |
| 469 | I | A | 0.6666 | |
| 470 | T | A | 0.3108 | |
| 471 | Q | A | 0.0000 | |
| 472 | Y | A | 0.3337 | |
| 473 | S | A | 0.0000 | |
| 474 | T | A | 0.0204 | |
| 475 | G | A | 0.0000 | |
| 476 | Q | A | -0.3202 | |
| 477 | V | A | 0.0000 | |
| 478 | S | A | 0.0000 | |
| 479 | V | A | 0.0000 | |
| 480 | E | A | -1.1626 | |
| 481 | I | A | 0.0000 | |
| 482 | E | A | -1.6332 | |
| 483 | W | A | 0.0000 | |
| 484 | E | A | -1.9885 | |
| 485 | L | A | 0.0000 | |
| 486 | Q | A | -1.8625 | |
| 487 | K | A | -2.4251 | |
| 488 | E | A | -2.3038 | |
| 489 | N | A | -2.5257 | |
| 490 | S | A | -2.0210 | |
| 491 | K | A | -2.2398 | |
| 492 | R | A | -1.4626 | |
| 493 | W | A | 0.1229 | |
| 494 | N | A | -0.1967 | |
| 495 | P | A | -0.1449 | |
| 496 | E | A | 0.2159 | |
| 497 | V | A | 1.2678 | |
| 498 | Q | A | -0.0490 | |
| 499 | Y | A | -0.2946 | |
| 500 | T | A | -0.2885 | |
| 501 | S | A | -0.4990 | |
| 502 | N | A | -0.9102 | |
| 503 | Y | A | 0.2326 | |
| 504 | A | A | -0.6213 | |
| 505 | K | A | -1.6090 | |
| 506 | S | A | -1.0891 | |
| 507 | A | A | -0.7766 | |
| 508 | N | A | -0.9988 | |
| 509 | V | A | 0.4759 | |
| 510 | D | A | -0.3367 | |
| 511 | F | A | -0.0434 | |
| 512 | T | A | 0.4176 | |
| 513 | V | A | 0.1996 | |
| 514 | D | A | -1.2320 | |
| 515 | N | A | -2.1677 | |
| 516 | N | A | -1.9285 | |
| 517 | G | A | -1.2167 | |
| 518 | L | A | -0.3672 | |
| 519 | Y | A | -0.1384 | |
| 520 | T | A | -0.3299 | |
| 521 | E | A | -0.8522 | |
| 522 | P | A | -0.8597 | |
| 523 | R | A | -0.9698 | |
| 524 | P | A | -0.3626 | |
| 525 | I | A | 0.0000 | |
| 526 | G | A | -0.2699 | |
| 527 | T | A | 0.0000 | |
| 528 | R | A | 0.0000 | |
| 529 | Y | A | 0.2965 | |
| 530 | L | A | 0.0000 | |
| 531 | T | A | -0.3197 | |
| 532 | R | A | -1.2062 | |
| 533 | P | A | -0.3942 | |
| 534 | L | A | 0.4128 |
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 | -0.1257 | 4.6023 | View | CSV | PDB |
| 4.5 | -0.1738 | 4.586 | View | CSV | PDB |
| 5.0 | -0.2294 | 4.5676 | View | CSV | PDB |
| 5.5 | -0.2848 | 4.5484 | View | CSV | PDB |
| 6.0 | -0.3319 | 4.5289 | View | CSV | PDB |
| 6.5 | -0.3656 | 4.5094 | View | CSV | PDB |
| 7.0 | -0.3861 | 4.49 | View | CSV | PDB |
| 7.5 | -0.398 | 4.4708 | View | CSV | PDB |
| 8.0 | -0.4041 | 4.4526 | View | CSV | PDB |
| 8.5 | -0.4027 | 4.4365 | View | CSV | PDB |
| 9.0 | -0.391 | 4.4246 | 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