| 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] (00:00:00)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:00)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with A chain(s) selected (00:00:00)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:00)
[INFO] PDB-Info: The input structure is globular. Max score is recommended for pH analysis. (00:00:02)
[INFO] FoldX: Starting FoldX energy minimization (00:00:02)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:02:18)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/1bf21ef1d0864f/tmp/folded.pdb (00:02:18)
[INFO] Main: Simulation completed successfully. (00:05:37)
|
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 | -2.3631 | |
| 18 | G | A | -1.3397 | |
| 19 | V | A | 0.3230 | |
| 20 | G | A | -0.6821 | |
| 21 | N | A | -1.7789 | |
| 22 | A | A | -1.3261 | |
| 23 | S | A | -1.4180 | |
| 24 | G | A | -1.2019 | |
| 25 | N | A | -1.1181 | |
| 26 | W | A | -0.2899 | |
| 27 | H | A | -1.1865 | |
| 28 | C | A | -1.0201 | |
| 29 | D | A | -1.8062 | |
| 30 | S | A | -0.8078 | |
| 31 | T | A | -0.0912 | |
| 32 | W | A | 0.0552 | |
| 33 | L | A | 0.2168 | |
| 34 | G | A | -1.1151 | |
| 35 | D | A | -2.2361 | |
| 36 | R | A | -1.2026 | |
| 37 | V | A | 0.0000 | |
| 38 | I | A | -0.1489 | |
| 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 | 0.4085 | |
| 45 | W | A | 0.0000 | |
| 46 | A | A | 0.6997 | |
| 47 | L | A | 0.0000 | |
| 48 | P | A | 0.0808 | |
| 49 | T | A | -0.1803 | |
| 50 | Y | A | -0.1324 | |
| 51 | N | A | -0.5382 | |
| 52 | N | A | -0.8472 | |
| 53 | H | A | -0.0794 | |
| 54 | L | A | 0.6521 | |
| 55 | Y | A | 0.0342 | |
| 56 | K | A | -1.0972 | |
| 57 | Q | A | -0.7987 | |
| 58 | I | A | 0.1373 | |
| 59 | S | A | 0.0182 | |
| 60 | S | A | 0.0000 | |
| 61 | A | A | -0.2753 | |
| 62 | S | A | -0.2909 | |
| 63 | T | A | -0.5830 | |
| 64 | G | A | -0.9183 | |
| 65 | A | A | -1.2104 | |
| 66 | S | A | -1.6944 | |
| 67 | N | A | -2.6181 | |
| 68 | D | A | -2.5873 | |
| 69 | N | A | -2.3221 | |
| 70 | H | A | -1.7882 | |
| 71 | Y | A | -0.0280 | |
| 72 | F | A | 0.4659 | |
| 73 | G | A | 0.0000 | |
| 74 | Y | A | 0.3314 | |
| 75 | S | A | -0.1743 | |
| 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 | -0.5642 | |
| 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 | -1.0368 | |
| 92 | P | A | -1.5034 | |
| 93 | R | A | -2.4848 | |
| 94 | D | A | -1.7634 | |
| 95 | W | A | 0.0000 | |
| 96 | Q | A | -2.0485 | |
| 97 | R | A | -2.5414 | |
| 98 | L | A | 0.0000 | |
| 99 | I | A | 0.0000 | |
| 100 | N | A | -1.0685 | |
| 101 | N | A | -1.9777 | |
| 102 | N | A | 0.0000 | |
| 103 | W | A | -0.8985 | |
| 104 | G | A | 0.0000 | |
| 105 | F | A | 0.0000 | |
| 106 | R | A | -0.8998 | |
| 107 | P | A | 0.0000 | |
| 108 | K | A | -2.0314 | |
| 109 | R | A | -2.0439 | |
| 110 | L | A | 0.0000 | |
| 111 | N | A | -1.1310 | |
| 112 | F | A | 0.0000 | |
| 113 | K | A | -1.0846 | |
| 114 | L | A | 0.0000 | |
| 115 | F | A | 0.0000 | |
| 116 | N | A | -1.1259 | |
| 117 | I | A | 0.0000 | |
| 118 | Q | A | -1.0398 | |
| 119 | V | A | 0.0000 | |
| 120 | K | A | -0.4381 | |
| 121 | E | A | -0.0268 | |
| 122 | V | A | 0.4015 | |
| 123 | T | A | 0.2388 | |
| 124 | T | A | -0.4859 | |
| 125 | N | A | -1.7533 | |
| 126 | D | A | -2.1007 | |
| 127 | G | A | -0.9381 | |
| 128 | V | A | 0.4925 | |
| 129 | T | A | 0.4264 | |
| 130 | T | A | 0.7429 | |
| 131 | I | A | 1.0858 | |
| 132 | A | A | 0.0482 | |
| 133 | N | A | -1.0564 | |
| 134 | N | A | -0.5840 | |
| 135 | L | A | 0.3543 | |
| 136 | T | A | -0.0570 | |
| 137 | S | A | 0.0000 | |
| 138 | T | A | 0.0000 | |
| 139 | V | A | 0.0000 | |
| 140 | Q | A | -0.4466 | |
| 141 | V | A | 0.0000 | |
| 142 | F | A | 0.0000 | |
| 143 | S | A | -0.4314 | |
| 144 | D | A | 0.0000 | |
| 145 | S | A | -1.3045 | |
| 146 | E | A | -2.2657 | |
| 147 | Y | A | -1.5286 | |
| 148 | Q | A | -1.2858 | |
| 149 | L | A | 0.0000 | |
| 150 | P | A | 0.2501 | |
| 151 | Y | A | 0.0552 | |
| 152 | V | A | 0.2948 | |
| 153 | L | A | 0.0000 | |
| 154 | G | A | -0.4840 | |
| 155 | S | A | -0.5513 | |
| 156 | A | A | -0.7052 | |
| 157 | H | A | -1.2571 | |
| 158 | Q | A | -1.5477 | |
| 159 | G | A | -0.6143 | |
| 160 | C | A | -0.4239 | |
| 161 | L | A | 0.0000 | |
| 162 | P | A | -0.0165 | |
| 163 | P | A | -0.0809 | |
| 164 | F | A | 0.6258 | |
| 165 | P | A | 0.0508 | |
| 166 | A | A | -0.1661 | |
| 167 | D | A | -0.5786 | |
| 168 | V | A | 1.2257 | |
| 169 | F | A | 0.0000 | |
| 170 | M | A | 1.3537 | |
| 171 | I | A | 0.0000 | |
| 172 | P | A | -0.2588 | |
| 173 | Q | A | -0.3211 | |
| 174 | Y | A | 0.0000 | |
| 175 | G | A | -0.0226 | |
| 176 | Y | A | 0.0000 | |
| 177 | L | A | 2.0327 | |
| 178 | T | A | 1.2993 | |
| 179 | L | A | 0.3083 | |
| 180 | N | A | -0.6303 | |
| 181 | N | A | -1.8169 | |
| 182 | G | A | -1.6525 | |
| 183 | S | A | -1.2398 | |
| 184 | Q | A | -1.4495 | |
| 185 | A | A | -0.9488 | |
| 186 | V | A | -0.9269 | |
| 187 | G | A | -1.1324 | |
| 188 | R | A | -1.6559 | |
| 189 | S | A | -0.3892 | |
| 190 | S | A | 0.6943 | |
| 191 | F | A | 1.7972 | |
| 192 | Y | A | 1.2758 | |
| 193 | C | A | 0.9511 | |
| 194 | L | A | 0.0000 | |
| 195 | E | A | -0.2064 | |
| 196 | Y | A | 1.0309 | |
| 197 | F | A | 0.2898 | |
| 198 | P | A | -0.2108 | |
| 199 | S | A | -0.4882 | |
| 200 | Q | A | -1.0732 | |
| 201 | M | A | -0.1268 | |
| 202 | L | A | 0.0000 | |
| 203 | R | A | -1.5593 | |
| 204 | T | A | -1.3707 | |
| 205 | G | A | -1.6544 | |
| 206 | N | A | -1.9817 | |
| 207 | N | A | -1.6430 | |
| 208 | F | A | -0.5861 | |
| 209 | T | A | -0.4585 | |
| 210 | F | A | -0.1705 | |
| 211 | S | A | -0.6626 | |
| 212 | Y | A | -0.7922 | |
| 213 | T | A | -1.4086 | |
| 214 | F | A | 0.0000 | |
| 215 | E | A | -2.2029 | |
| 216 | E | A | -2.1907 | |
| 217 | V | A | 0.0000 | |
| 218 | P | A | -0.4668 | |
| 219 | F | A | 0.0438 | |
| 220 | H | A | 0.0000 | |
| 221 | S | A | -0.0018 | |
| 222 | S | A | 0.0000 | |
| 223 | Y | A | -0.3046 | |
| 224 | A | A | -0.7953 | |
| 225 | H | A | -0.8656 | |
| 226 | S | A | -0.9093 | |
| 227 | Q | A | -1.1048 | |
| 228 | S | A | -0.9967 | |
| 229 | L | A | 0.0000 | |
| 230 | D | A | -1.3905 | |
| 231 | R | A | -1.2518 | |
| 232 | L | A | -0.4110 | |
| 233 | M | A | -0.1913 | |
| 234 | N | A | -0.0125 | |
| 235 | P | A | 0.4365 | |
| 236 | L | A | 1.8016 | |
| 237 | I | A | 1.7109 | |
| 238 | D | A | -0.6778 | |
| 239 | Q | A | -0.0845 | |
| 240 | Y | A | 1.1753 | |
| 241 | L | A | 0.9978 | |
| 242 | Y | A | 1.8138 | |
| 243 | Y | A | 1.4677 | |
| 244 | L | A | 1.7139 | |
| 245 | N | A | 0.1984 | |
| 246 | R | A | -0.7000 | |
| 247 | T | A | -1.0088 | |
| 248 | Q | A | -2.5978 | |
| 249 | N | A | -2.6186 | |
| 250 | Q | A | -2.4989 | |
| 251 | S | A | -1.6801 | |
| 252 | G | A | -1.2789 | |
| 253 | S | A | -1.0951 | |
| 254 | A | A | -1.7103 | |
| 255 | Q | A | -2.9071 | |
| 256 | N | A | -3.3405 | |
| 257 | K | A | -3.0836 | |
| 258 | D | A | -1.4793 | |
| 259 | L | A | 1.1800 | |
| 260 | L | A | 1.0991 | |
| 261 | F | A | 2.2777 | |
| 262 | S | A | 0.6704 | |
| 263 | R | A | -0.4407 | |
| 264 | G | A | 0.0000 | |
| 265 | S | A | -0.1967 | |
| 266 | P | A | 0.0807 | |
| 267 | A | A | 0.0222 | |
| 268 | G | A | 0.0647 | |
| 269 | M | A | 0.0097 | |
| 270 | S | A | 0.0255 | |
| 271 | V | A | 0.9712 | |
| 272 | Q | A | 0.0000 | |
| 273 | P | A | -0.3958 | |
| 274 | K | A | -1.3332 | |
| 275 | N | A | -1.3777 | |
| 276 | W | A | 0.1007 | |
| 277 | L | A | 0.4563 | |
| 278 | P | A | 0.3655 | |
| 279 | G | A | 0.0000 | |
| 280 | P | A | 0.3056 | |
| 281 | C | A | 0.0000 | |
| 282 | Y | A | -0.0251 | |
| 283 | R | A | -1.1036 | |
| 284 | Q | A | 0.0000 | |
| 285 | Q | A | -1.2909 | |
| 286 | R | A | -1.8543 | |
| 287 | V | A | -1.5984 | |
| 288 | S | A | 0.0000 | |
| 289 | K | A | -1.8127 | |
| 290 | T | A | -1.7533 | |
| 291 | K | A | -2.7166 | |
| 292 | T | A | -2.1267 | |
| 293 | D | A | -2.6333 | |
| 294 | N | A | -2.7463 | |
| 295 | N | A | -2.7684 | |
| 296 | N | A | -2.6667 | |
| 297 | S | A | -1.8240 | |
| 298 | N | A | -1.6499 | |
| 299 | F | A | -0.7343 | |
| 300 | T | A | -0.0514 | |
| 301 | W | A | 0.3057 | |
| 302 | T | A | -0.0804 | |
| 303 | G | A | -0.4297 | |
| 304 | A | A | -0.1021 | |
| 305 | S | A | -0.0401 | |
| 306 | K | A | 0.0737 | |
| 307 | Y | A | 0.4566 | |
| 308 | N | A | -0.9730 | |
| 309 | L | A | -0.0148 | |
| 310 | N | A | -1.4858 | |
| 311 | G | A | -1.4729 | |
| 312 | R | A | -1.9651 | |
| 313 | E | A | -1.5387 | |
| 314 | S | A | -0.4028 | |
| 315 | I | A | 0.2346 | |
| 316 | I | A | 0.1781 | |
| 317 | N | A | -0.7706 | |
| 318 | P | A | 0.0000 | |
| 319 | G | A | 0.0876 | |
| 320 | T | A | 0.1133 | |
| 321 | A | A | 0.2242 | |
| 322 | M | A | 0.0000 | |
| 323 | A | A | 0.0000 | |
| 324 | S | A | 0.0000 | |
| 325 | H | A | 0.0000 | |
| 326 | K | A | -3.2396 | |
| 327 | D | A | -4.0091 | |
| 328 | D | A | -3.8322 | |
| 329 | E | A | -3.4829 | |
| 330 | D | A | -3.9107 | |
| 331 | K | A | -2.5233 | |
| 332 | F | A | -1.9967 | |
| 333 | F | A | 0.0000 | |
| 334 | P | A | 0.0000 | |
| 335 | M | A | -0.4531 | |
| 336 | S | A | 0.0000 | |
| 337 | G | A | 0.0000 | |
| 338 | V | A | 0.0000 | |
| 339 | M | A | 0.0000 | |
| 340 | I | A | 1.3339 | |
| 341 | F | A | 0.1568 | |
| 342 | G | A | -1.1920 | |
| 343 | K | A | -2.3060 | |
| 344 | E | A | -2.3678 | |
| 345 | S | A | -1.7698 | |
| 346 | A | A | -1.6449 | |
| 347 | G | A | -1.2508 | |
| 348 | A | A | -0.6098 | |
| 349 | S | A | -0.9397 | |
| 350 | N | A | -1.3805 | |
| 351 | T | A | -1.0708 | |
| 352 | A | A | -0.7039 | |
| 353 | L | A | -0.7185 | |
| 354 | D | A | -1.6988 | |
| 355 | N | A | -1.5837 | |
| 356 | V | A | -0.6740 | |
| 357 | M | A | 0.0000 | |
| 358 | I | A | 0.2549 | |
| 359 | T | A | 0.0000 | |
| 360 | D | A | -1.5520 | |
| 361 | E | A | 0.0000 | |
| 362 | E | A | -3.0420 | |
| 363 | E | A | -2.1829 | |
| 364 | I | A | 0.0000 | |
| 365 | K | A | -2.3473 | |
| 366 | A | A | 0.0000 | |
| 367 | T | A | 0.0000 | |
| 368 | N | A | 0.0000 | |
| 369 | P | A | -0.5183 | |
| 370 | V | A | -0.8094 | |
| 371 | A | A | 0.0000 | |
| 372 | T | A | -1.3009 | |
| 373 | E | A | -1.7874 | |
| 374 | R | A | -2.0437 | |
| 375 | F | A | -0.7786 | |
| 376 | G | A | -0.8168 | |
| 377 | T | A | -0.3305 | |
| 378 | V | A | 0.9769 | |
| 379 | A | A | 1.0902 | |
| 380 | V | A | 1.7380 | |
| 381 | N | A | 0.6513 | |
| 382 | F | A | 1.0394 | |
| 383 | Q | A | -1.0757 | |
| 384 | S | A | -1.0434 | |
| 385 | S | A | -1.1737 | |
| 386 | S | A | -1.0472 | |
| 387 | T | A | -1.3400 | |
| 388 | D | A | -2.2380 | |
| 389 | P | A | -1.0617 | |
| 390 | A | A | -0.0172 | |
| 391 | T | A | 0.2719 | |
| 392 | G | A | -0.3215 | |
| 393 | D | A | -1.8347 | |
| 394 | V | A | -1.1155 | |
| 395 | H | A | -1.4247 | |
| 396 | A | A | -0.4940 | |
| 397 | M | A | -0.0691 | |
| 398 | G | A | -0.0965 | |
| 399 | A | A | 0.4109 | |
| 400 | L | A | 0.6020 | |
| 401 | P | A | 0.1923 | |
| 402 | G | A | 0.0520 | |
| 403 | M | A | 0.5903 | |
| 404 | V | A | 0.9486 | |
| 405 | W | A | 0.3029 | |
| 406 | Q | A | -0.4322 | |
| 407 | D | A | -0.4072 | |
| 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 | -0.3580 | |
| 416 | I | A | 0.0000 | |
| 417 | W | A | 0.0000 | |
| 418 | A | A | -0.5938 | |
| 419 | K | A | -1.4456 | |
| 420 | I | A | 0.0000 | |
| 421 | P | A | -1.5806 | |
| 422 | H | A | -2.1816 | |
| 423 | T | A | -1.7928 | |
| 424 | D | A | -2.4436 | |
| 425 | G | A | -1.5742 | |
| 426 | H | A | -0.8406 | |
| 427 | F | A | 1.1142 | |
| 428 | H | A | -0.0468 | |
| 429 | P | A | -0.2557 | |
| 430 | S | A | -0.0097 | |
| 431 | P | A | 0.2705 | |
| 432 | L | A | 0.9893 | |
| 433 | M | A | 0.4427 | |
| 434 | G | A | 0.0000 | |
| 435 | G | A | 0.0108 | |
| 436 | F | A | 0.0000 | |
| 437 | G | A | -0.8696 | |
| 438 | L | A | 0.0000 | |
| 439 | K | A | -2.7362 | |
| 440 | N | A | -2.6057 | |
| 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 | 0.1860 | |
| 451 | P | A | 0.1024 | |
| 452 | V | A | 0.4590 | |
| 453 | P | A | 0.1339 | |
| 454 | A | A | -0.2942 | |
| 455 | N | A | -1.2398 | |
| 456 | P | A | -0.8603 | |
| 457 | P | A | -0.8311 | |
| 458 | A | A | -0.7437 | |
| 459 | E | A | -1.0161 | |
| 460 | F | A | 0.8911 | |
| 461 | S | A | 0.0592 | |
| 462 | A | A | 0.0500 | |
| 463 | T | A | -0.4611 | |
| 464 | K | A | -1.3398 | |
| 465 | F | A | -0.1352 | |
| 466 | A | A | -0.0472 | |
| 467 | S | A | -0.2652 | |
| 468 | F | A | 0.2487 | |
| 469 | I | A | 0.4380 | |
| 470 | T | A | 0.1418 | |
| 471 | Q | A | 0.0000 | |
| 472 | Y | A | 0.3501 | |
| 473 | S | A | 0.0000 | |
| 474 | T | A | 0.0275 | |
| 475 | G | A | 0.0000 | |
| 476 | Q | A | -0.3803 | |
| 477 | V | A | 0.0000 | |
| 478 | S | A | 0.0000 | |
| 479 | V | A | 0.0000 | |
| 480 | E | A | -1.1897 | |
| 481 | I | A | 0.0000 | |
| 482 | E | A | 0.0000 | |
| 483 | W | A | 0.0000 | |
| 484 | E | A | -1.3797 | |
| 485 | L | A | 0.0000 | |
| 486 | Q | A | -1.9086 | |
| 487 | K | A | -2.4440 | |
| 488 | E | A | -2.3861 | |
| 489 | N | A | -2.5769 | |
| 490 | S | A | -2.0881 | |
| 491 | K | A | -2.3540 | |
| 492 | R | A | -1.6398 | |
| 493 | W | A | -0.0749 | |
| 494 | N | A | -0.5632 | |
| 495 | P | A | -0.3161 | |
| 496 | E | A | 0.0901 | |
| 497 | V | A | 1.2125 | |
| 498 | Q | A | -0.1633 | |
| 499 | Y | A | -0.3143 | |
| 500 | T | A | -0.4400 | |
| 501 | S | A | -0.8329 | |
| 502 | N | A | -1.0026 | |
| 503 | Y | A | 0.2948 | |
| 504 | A | A | -0.4068 | |
| 505 | K | A | -1.6194 | |
| 506 | S | A | -1.2187 | |
| 507 | A | A | -0.9001 | |
| 508 | N | A | -1.2564 | |
| 509 | V | A | -0.0255 | |
| 510 | D | A | -1.5523 | |
| 511 | F | A | -0.6774 | |
| 512 | T | A | 0.1482 | |
| 513 | V | A | 0.2317 | |
| 514 | D | A | -1.2487 | |
| 515 | N | A | -2.1179 | |
| 516 | N | A | -1.8748 | |
| 517 | G | A | -1.1157 | |
| 518 | L | A | -0.2282 | |
| 519 | Y | A | -0.1548 | |
| 520 | T | A | -0.5476 | |
| 521 | E | A | -1.3294 | |
| 522 | P | A | -1.3952 | |
| 523 | R | A | -1.7587 | |
| 524 | P | A | 0.0000 | |
| 525 | I | A | 0.0000 | |
| 526 | G | A | -0.3304 | |
| 527 | T | A | 0.0000 | |
| 528 | R | A | 0.0000 | |
| 529 | Y | A | 0.2229 | |
| 530 | L | A | 0.0000 | |
| 531 | T | A | -0.4888 | |
| 532 | R | A | -1.3911 | |
| 533 | P | A | -0.7504 | |
| 534 | L | A | 0.0621 |
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 | -0.1246 | 4.255 | View | CSV | PDB |
| 4.5 | -0.1741 | 4.2292 | View | CSV | PDB |
| 5.0 | -0.2313 | 4.2145 | View | CSV | PDB |
| 5.5 | -0.2883 | 4.1993 | View | CSV | PDB |
| 6.0 | -0.3373 | 4.1839 | View | CSV | PDB |
| 6.5 | -0.3724 | 4.1685 | View | CSV | PDB |
| 7.0 | -0.3935 | 4.1531 | View | CSV | PDB |
| 7.5 | -0.4049 | 4.1381 | View | CSV | PDB |
| 8.0 | -0.4095 | 4.1239 | View | CSV | PDB |
| 8.5 | -0.4062 | 4.1118 | View | CSV | PDB |
| 9.0 | -0.3928 | 4.1032 | 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