| Chain sequence(s) | MASGGGGCSASERLPPPFPGMDPESEGAAGASEPEAGDSDTEGEDIFTGAAAATKPQSPKKTTSLFPIKNGSKENGIHEDQDQEPQDLFADATVELSLDSTQNNQKTMPGKTLTSHSPQEATNSPKPQPSYEELEEEEQEDQFDLTVGITDPEKIGDGMNAYVAYKVTTQTSLPMFRSRQFAVKRRFSDFLGLYEKLSEKHSQNGFIVPPPPEKSLIGMTKVKVGKEDSSSAEFLEKRRAALERYLQRIVNHPTMLQDPDVREFLEKEELPRAVGTQALSGAGLLKMFNKATDAVSKMTIKMNESDIWFEEKLQEVECEEQRLRKLHAVVETLVNHRKELALNTALFAKSLAMLGSSEDNTALSRALSQLAEVEEKIEQLHQEQANNDSFLLAELLSDYIRLLAIVRAAFDQRMKTWQRWQDAQATLQKKRESEARLLWANKPDKLQQAKDEITEWESRVTQYERDFERISTVVRKEVTRFEKEKSKDFKNHVMKYLETLLHSQQQLAKYWEAFLPEAKAIS 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] (00:00:03)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:03)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with A chain(s) selected (00:00:03)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:03)
[INFO] PDB-Info: The input structure is partially or entirely disordered. Average score is
recommended for pH analysis. (00:00:10)
[INFO] FoldX: Starting FoldX energy minimization (00:00:10)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:29:56)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/cee690a06a062d/tmp/folded.pdb (00:29:56)
[INFO] Main: Simulation completed successfully. (00:32:51)
|
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 | |
| 1 | M | A | 1.0342 | |
| 2 | A | A | 0.2987 | |
| 3 | S | A | -0.2850 | |
| 4 | G | A | -0.9202 | |
| 5 | G | A | -1.0929 | |
| 6 | G | A | -0.8819 | |
| 7 | G | A | -0.4892 | |
| 8 | C | A | 0.3199 | |
| 9 | S | A | 0.0357 | |
| 10 | A | A | -0.3718 | |
| 11 | S | A | -1.3855 | |
| 12 | E | A | -2.4298 | |
| 13 | R | A | -2.1075 | |
| 14 | L | A | -0.0081 | |
| 15 | P | A | -0.1271 | |
| 16 | P | A | 0.0325 | |
| 17 | P | A | 0.5577 | |
| 18 | F | A | 1.5365 | |
| 19 | P | A | 0.5776 | |
| 20 | G | A | -0.0228 | |
| 21 | M | A | -0.1909 | |
| 22 | D | A | -1.8170 | |
| 23 | P | A | -1.8217 | |
| 24 | E | A | -2.7680 | |
| 25 | S | A | -2.2238 | |
| 26 | E | A | -2.5174 | |
| 27 | G | A | -1.3650 | |
| 28 | A | A | -0.6150 | |
| 29 | A | A | -0.2184 | |
| 30 | G | A | -0.4448 | |
| 31 | A | A | -0.6525 | |
| 32 | S | A | -1.2271 | |
| 33 | E | A | -2.4842 | |
| 34 | P | A | -2.1699 | |
| 35 | E | A | -2.6715 | |
| 36 | A | A | -1.8034 | |
| 37 | G | A | -2.0472 | |
| 38 | D | A | -2.7366 | |
| 39 | S | A | -2.2837 | |
| 40 | D | A | -2.9020 | |
| 41 | T | A | -2.4285 | |
| 42 | E | A | -3.1666 | |
| 43 | G | A | -2.3920 | |
| 44 | E | A | -2.3946 | |
| 45 | D | A | -0.7593 | |
| 46 | I | A | 1.8686 | |
| 47 | F | A | 2.2320 | |
| 48 | T | A | 0.9498 | |
| 49 | G | A | 0.3599 | |
| 50 | A | A | 0.1088 | |
| 51 | A | A | 0.0049 | |
| 52 | A | A | -0.1155 | |
| 53 | A | A | -0.3789 | |
| 54 | T | A | -1.0253 | |
| 55 | K | A | -2.1674 | |
| 56 | P | A | -1.7648 | |
| 57 | Q | A | -2.0985 | |
| 58 | S | A | -1.7561 | |
| 59 | P | A | -1.8919 | |
| 60 | K | A | -2.8515 | |
| 61 | K | A | -2.6813 | |
| 62 | T | A | -1.4422 | |
| 63 | T | A | -0.4267 | |
| 64 | S | A | 0.7705 | |
| 65 | L | A | 2.5210 | |
| 66 | F | A | 2.7436 | |
| 67 | P | A | 1.5006 | |
| 68 | I | A | 1.2448 | |
| 69 | K | A | -1.3523 | |
| 70 | N | A | -1.9113 | |
| 71 | G | A | -1.7558 | |
| 72 | S | A | -2.1067 | |
| 73 | K | A | -3.1383 | |
| 74 | E | A | -3.4817 | |
| 75 | N | A | -2.2872 | |
| 76 | G | A | -0.6979 | |
| 77 | I | A | 0.5857 | |
| 78 | H | A | -1.3913 | |
| 79 | E | A | -2.9696 | |
| 80 | D | A | -3.8672 | |
| 81 | Q | A | -3.8475 | |
| 82 | D | A | -3.7200 | |
| 83 | Q | A | -3.3966 | |
| 84 | E | A | -3.5463 | |
| 85 | P | A | -2.2133 | |
| 86 | Q | A | -2.1580 | |
| 87 | D | A | -1.3869 | |
| 88 | L | A | 1.0284 | |
| 89 | F | A | 1.6447 | |
| 90 | A | A | 0.1817 | |
| 91 | D | A | -0.8140 | |
| 92 | A | A | -0.2420 | |
| 93 | T | A | 0.0888 | |
| 94 | V | A | 1.0105 | |
| 95 | E | A | -0.1097 | |
| 96 | L | A | 1.2091 | |
| 97 | S | A | 0.6086 | |
| 98 | L | A | 0.7156 | |
| 99 | D | A | -1.0324 | |
| 100 | S | A | -1.0249 | |
| 101 | T | A | -1.3820 | |
| 102 | Q | A | -2.1899 | |
| 103 | N | A | -2.7373 | |
| 104 | N | A | -3.0903 | |
| 105 | Q | A | -2.9812 | |
| 106 | K | A | -2.4036 | |
| 107 | T | A | -0.6791 | |
| 108 | M | A | 0.4551 | |
| 109 | P | A | -0.3230 | |
| 110 | G | A | -1.2456 | |
| 111 | K | A | -1.7031 | |
| 112 | T | A | -0.2702 | |
| 113 | L | A | 1.0875 | |
| 114 | T | A | 0.4230 | |
| 115 | S | A | -0.4387 | |
| 116 | H | A | -1.2724 | |
| 117 | S | A | -1.1612 | |
| 118 | P | A | -1.5066 | |
| 119 | Q | A | -2.2418 | |
| 120 | E | A | -2.4429 | |
| 121 | A | A | -1.4297 | |
| 122 | T | A | -1.1586 | |
| 123 | N | A | -1.6600 | |
| 124 | S | A | -1.4250 | |
| 125 | P | A | -1.7033 | |
| 126 | K | A | -2.4706 | |
| 127 | P | A | -1.8274 | |
| 128 | Q | A | -1.9419 | |
| 129 | P | A | -1.5927 | |
| 130 | S | A | -1.2771 | |
| 131 | Y | A | -0.9539 | |
| 132 | E | A | -3.3565 | |
| 133 | E | A | -4.0451 | |
| 134 | L | A | -3.2105 | |
| 135 | E | A | -4.4351 | |
| 136 | E | A | -5.0180 | |
| 137 | E | A | -4.7522 | |
| 138 | E | A | -4.0794 | |
| 139 | Q | A | -3.9710 | |
| 140 | E | A | -3.8433 | |
| 141 | D | A | -3.2784 | |
| 142 | Q | A | -2.8298 | |
| 143 | F | A | -1.7886 | |
| 144 | D | A | -2.2082 | |
| 145 | L | A | 0.0000 | |
| 146 | T | A | -0.9764 | |
| 147 | V | A | 0.0000 | |
| 148 | G | A | -0.5667 | |
| 149 | I | A | 0.0000 | |
| 150 | T | A | -1.6988 | |
| 151 | D | A | -2.8990 | |
| 152 | P | A | -2.3690 | |
| 153 | E | A | -2.8473 | |
| 154 | K | A | -2.5498 | |
| 155 | I | A | -1.1756 | |
| 156 | G | A | -1.6760 | |
| 157 | D | A | -2.5561 | |
| 158 | G | A | -1.4417 | |
| 159 | M | A | -0.3931 | |
| 160 | N | A | -1.4711 | |
| 161 | A | A | -1.5374 | |
| 162 | Y | A | -0.8976 | |
| 163 | V | A | 0.0000 | |
| 164 | A | A | 0.0000 | |
| 165 | Y | A | 0.0000 | |
| 166 | K | A | -2.0908 | |
| 167 | V | A | 0.0000 | |
| 168 | T | A | -0.6833 | |
| 169 | T | A | 0.0000 | |
| 170 | Q | A | -1.6909 | |
| 171 | T | A | 0.0000 | |
| 172 | S | A | -1.1416 | |
| 173 | L | A | -0.6873 | |
| 174 | P | A | -0.5149 | |
| 175 | M | A | -0.5227 | |
| 176 | F | A | 0.0000 | |
| 177 | R | A | -2.1957 | |
| 178 | S | A | -1.8098 | |
| 179 | R | A | -2.0368 | |
| 180 | Q | A | -2.0579 | |
| 181 | F | A | -0.8850 | |
| 182 | A | A | -0.9283 | |
| 183 | V | A | 0.0000 | |
| 184 | K | A | -2.7460 | |
| 185 | R | A | 0.0000 | |
| 186 | R | A | -1.2067 | |
| 187 | F | A | -0.1588 | |
| 188 | S | A | -0.3724 | |
| 189 | D | A | -0.7204 | |
| 190 | F | A | 0.0000 | |
| 191 | L | A | 0.0000 | |
| 192 | G | A | 0.0000 | |
| 193 | L | A | 0.0000 | |
| 194 | Y | A | -1.0332 | |
| 195 | E | A | -1.8654 | |
| 196 | K | A | -2.2178 | |
| 197 | L | A | 0.0000 | |
| 198 | S | A | -2.0341 | |
| 199 | E | A | -3.1200 | |
| 200 | K | A | -2.3750 | |
| 201 | H | A | -1.5327 | |
| 202 | S | A | -1.4433 | |
| 203 | Q | A | -2.3521 | |
| 204 | N | A | -1.4015 | |
| 205 | G | A | 0.0000 | |
| 206 | F | A | -0.2493 | |
| 207 | I | A | 0.0000 | |
| 208 | V | A | 0.0000 | |
| 209 | P | A | 0.0000 | |
| 210 | P | A | -0.3989 | |
| 211 | P | A | 0.0000 | |
| 212 | P | A | -1.3027 | |
| 213 | E | A | -1.8259 | |
| 214 | K | A | -0.7475 | |
| 215 | S | A | 0.6286 | |
| 216 | L | A | 2.0834 | |
| 217 | I | A | 2.6097 | |
| 218 | G | A | 0.0000 | |
| 219 | M | A | 0.9432 | |
| 220 | T | A | 0.3233 | |
| 221 | K | A | -1.0885 | |
| 222 | V | A | 0.0000 | |
| 223 | K | A | -2.2886 | |
| 224 | V | A | -0.7534 | |
| 225 | G | A | -2.2285 | |
| 226 | K | A | -3.4994 | |
| 227 | E | A | -3.8226 | |
| 228 | D | A | -3.6219 | |
| 229 | S | A | -1.9879 | |
| 230 | S | A | -1.7400 | |
| 231 | S | A | 0.0000 | |
| 232 | A | A | -1.4524 | |
| 233 | E | A | -1.7200 | |
| 234 | F | A | -0.5967 | |
| 235 | L | A | -1.0056 | |
| 236 | E | A | -1.5453 | |
| 237 | K | A | -1.1423 | |
| 238 | R | A | 0.0000 | |
| 239 | R | A | -1.2186 | |
| 240 | A | A | 0.0000 | |
| 241 | A | A | -0.9257 | |
| 242 | L | A | 0.0000 | |
| 243 | E | A | -0.8249 | |
| 244 | R | A | -1.0320 | |
| 245 | Y | A | 0.0000 | |
| 246 | L | A | 0.0000 | |
| 247 | Q | A | -1.0334 | |
| 248 | R | A | -0.9186 | |
| 249 | I | A | 0.0000 | |
| 250 | V | A | 0.0000 | |
| 251 | N | A | -1.3021 | |
| 252 | H | A | 0.0000 | |
| 253 | P | A | -0.7659 | |
| 254 | T | A | -0.4504 | |
| 255 | M | A | 0.0000 | |
| 256 | L | A | 0.0000 | |
| 257 | Q | A | -1.3889 | |
| 258 | D | A | 0.0000 | |
| 259 | P | A | -1.0745 | |
| 260 | D | A | -1.1211 | |
| 261 | V | A | 0.0000 | |
| 262 | R | A | -1.6185 | |
| 263 | E | A | -1.7932 | |
| 264 | F | A | 0.0000 | |
| 265 | L | A | 0.0000 | |
| 266 | E | A | 0.0000 | |
| 267 | K | A | -2.5946 | |
| 268 | E | A | -3.3302 | |
| 269 | E | A | -3.4148 | |
| 270 | L | A | -2.2237 | |
| 271 | P | A | -1.2361 | |
| 272 | R | A | -1.8105 | |
| 273 | A | A | -0.5639 | |
| 274 | V | A | 0.8162 | |
| 275 | G | A | -0.0282 | |
| 276 | T | A | 0.0000 | |
| 277 | Q | A | -0.9786 | |
| 278 | A | A | -0.4463 | |
| 279 | L | A | -0.5141 | |
| 280 | S | A | -0.5493 | |
| 281 | G | A | -0.3025 | |
| 282 | A | A | 0.1106 | |
| 283 | G | A | 0.5733 | |
| 284 | L | A | 2.1331 | |
| 285 | L | A | 2.0580 | |
| 286 | K | A | 0.0517 | |
| 287 | M | A | 0.9876 | |
| 288 | F | A | 1.3263 | |
| 289 | N | A | -1.1611 | |
| 290 | K | A | -1.3410 | |
| 291 | A | A | -0.3599 | |
| 292 | T | A | -0.7903 | |
| 293 | D | A | -1.6448 | |
| 294 | A | A | -0.5932 | |
| 295 | V | A | 0.9026 | |
| 296 | S | A | -0.0174 | |
| 297 | K | A | -1.0043 | |
| 298 | M | A | 0.5944 | |
| 299 | T | A | 0.4960 | |
| 300 | I | A | 0.1116 | |
| 301 | K | A | -1.4976 | |
| 302 | M | A | -1.1263 | |
| 303 | N | A | -1.7861 | |
| 304 | E | A | -1.3383 | |
| 305 | S | A | -0.6648 | |
| 306 | D | A | -0.4731 | |
| 307 | I | A | 0.4812 | |
| 308 | W | A | -0.4437 | |
| 309 | F | A | 0.0000 | |
| 310 | E | A | -2.8055 | |
| 311 | E | A | -3.0654 | |
| 312 | K | A | -2.4872 | |
| 313 | L | A | -2.4446 | |
| 314 | Q | A | -3.5169 | |
| 315 | E | A | -3.6989 | |
| 316 | V | A | 0.0000 | |
| 317 | E | A | -2.7886 | |
| 318 | C | A | -2.4866 | |
| 319 | E | A | -3.0780 | |
| 320 | E | A | 0.0000 | |
| 321 | Q | A | -3.6041 | |
| 322 | R | A | -3.6898 | |
| 323 | L | A | 0.0000 | |
| 324 | R | A | -3.1363 | |
| 325 | K | A | -2.7268 | |
| 326 | L | A | -0.8171 | |
| 327 | H | A | -1.0526 | |
| 328 | A | A | -0.3316 | |
| 329 | V | A | 0.9205 | |
| 330 | V | A | 0.0000 | |
| 331 | E | A | -1.1323 | |
| 332 | T | A | -0.6671 | |
| 333 | L | A | -0.8022 | |
| 334 | V | A | 0.0000 | |
| 335 | N | A | -2.6965 | |
| 336 | H | A | -2.4967 | |
| 337 | R | A | -2.4298 | |
| 338 | K | A | -2.8842 | |
| 339 | E | A | -2.5591 | |
| 340 | L | A | -0.9359 | |
| 341 | A | A | 0.0000 | |
| 342 | L | A | 0.5541 | |
| 343 | N | A | 0.2526 | |
| 344 | T | A | 0.0000 | |
| 345 | A | A | 0.3233 | |
| 346 | L | A | 1.8256 | |
| 347 | F | A | 1.7292 | |
| 348 | A | A | 0.0000 | |
| 349 | K | A | -0.1578 | |
| 350 | S | A | 1.0092 | |
| 351 | L | A | 0.0000 | |
| 352 | A | A | 0.3322 | |
| 353 | M | A | 1.3120 | |
| 354 | L | A | 1.3514 | |
| 355 | G | A | 0.0000 | |
| 356 | S | A | -0.2501 | |
| 357 | S | A | -0.4571 | |
| 358 | E | A | -1.6085 | |
| 359 | D | A | -2.6793 | |
| 360 | N | A | -2.3193 | |
| 361 | T | A | -1.4989 | |
| 362 | A | A | -0.7966 | |
| 363 | L | A | -0.5272 | |
| 364 | S | A | -1.2162 | |
| 365 | R | A | -1.9437 | |
| 366 | A | A | 0.0000 | |
| 367 | L | A | -0.3523 | |
| 368 | S | A | -0.8900 | |
| 369 | Q | A | -1.4643 | |
| 370 | L | A | -0.7148 | |
| 371 | A | A | 0.0000 | |
| 372 | E | A | -2.5153 | |
| 373 | V | A | 0.0000 | |
| 374 | E | A | -1.4263 | |
| 375 | E | A | -2.6508 | |
| 376 | K | A | -2.6129 | |
| 377 | I | A | 0.0000 | |
| 378 | E | A | -1.9010 | |
| 379 | Q | A | -2.5338 | |
| 380 | L | A | 0.0000 | |
| 381 | H | A | -1.9027 | |
| 382 | Q | A | -2.3369 | |
| 383 | E | A | -2.5722 | |
| 384 | Q | A | 0.0000 | |
| 385 | A | A | 0.0000 | |
| 386 | N | A | -1.4654 | |
| 387 | N | A | -0.8561 | |
| 388 | D | A | 0.0000 | |
| 389 | S | A | -0.7110 | |
| 390 | F | A | -0.1671 | |
| 391 | L | A | 0.0000 | |
| 392 | L | A | -0.0822 | |
| 393 | A | A | 0.0000 | |
| 394 | E | A | -0.7803 | |
| 395 | L | A | 0.0000 | |
| 396 | L | A | 0.0000 | |
| 397 | S | A | -0.5892 | |
| 398 | D | A | -0.6572 | |
| 399 | Y | A | 0.0000 | |
| 400 | I | A | -0.9181 | |
| 401 | R | A | -0.3610 | |
| 402 | L | A | 0.0000 | |
| 403 | L | A | 0.0000 | |
| 404 | A | A | -0.2332 | |
| 405 | I | A | -0.0803 | |
| 406 | V | A | 0.0000 | |
| 407 | R | A | -1.2477 | |
| 408 | A | A | -0.9459 | |
| 409 | A | A | 0.0000 | |
| 410 | F | A | 0.0000 | |
| 411 | D | A | -2.3931 | |
| 412 | Q | A | -1.9456 | |
| 413 | R | A | 0.0000 | |
| 414 | M | A | -1.5506 | |
| 415 | K | A | -2.5245 | |
| 416 | T | A | -2.3678 | |
| 417 | W | A | -1.6178 | |
| 418 | Q | A | -1.7494 | |
| 419 | R | A | -2.3771 | |
| 420 | W | A | -2.1531 | |
| 421 | Q | A | -1.9085 | |
| 422 | D | A | -2.5001 | |
| 423 | A | A | 0.0000 | |
| 424 | Q | A | -2.2542 | |
| 425 | A | A | -1.9730 | |
| 426 | T | A | -2.1533 | |
| 427 | L | A | -2.9315 | |
| 428 | Q | A | -3.4061 | |
| 429 | K | A | -3.4318 | |
| 430 | K | A | -3.1603 | |
| 431 | R | A | -3.6726 | |
| 432 | E | A | -3.3860 | |
| 433 | S | A | -2.3127 | |
| 434 | E | A | 0.0000 | |
| 435 | A | A | -1.2126 | |
| 436 | R | A | -1.8020 | |
| 437 | L | A | -1.3588 | |
| 438 | L | A | 0.1030 | |
| 439 | W | A | 0.5623 | |
| 440 | A | A | -0.3659 | |
| 441 | N | A | -1.6196 | |
| 442 | K | A | -2.3975 | |
| 443 | P | A | -2.4701 | |
| 444 | D | A | -3.4922 | |
| 445 | K | A | -3.4566 | |
| 446 | L | A | -2.9370 | |
| 447 | Q | A | -3.5144 | |
| 448 | Q | A | -3.5601 | |
| 449 | A | A | 0.0000 | |
| 450 | K | A | -3.3006 | |
| 451 | D | A | -3.7293 | |
| 452 | E | A | -3.1553 | |
| 453 | I | A | 0.0000 | |
| 454 | T | A | -2.8293 | |
| 455 | E | A | -3.3648 | |
| 456 | W | A | -2.9901 | |
| 457 | E | A | -3.3127 | |
| 458 | S | A | -2.5299 | |
| 459 | R | A | -2.8554 | |
| 460 | V | A | 0.0000 | |
| 461 | T | A | -2.1711 | |
| 462 | Q | A | -2.7407 | |
| 463 | Y | A | -2.5669 | |
| 464 | E | A | -2.9909 | |
| 465 | R | A | -3.6875 | |
| 466 | D | A | -2.6343 | |
| 467 | F | A | -2.5100 | |
| 468 | E | A | -3.3384 | |
| 469 | R | A | -2.7807 | |
| 470 | I | A | 0.0000 | |
| 471 | S | A | -1.4539 | |
| 472 | T | A | -1.1825 | |
| 473 | V | A | -0.7379 | |
| 474 | V | A | 0.0000 | |
| 475 | R | A | -0.6744 | |
| 476 | K | A | -1.1069 | |
| 477 | E | A | 0.0000 | |
| 478 | V | A | 0.0000 | |
| 479 | T | A | -1.5404 | |
| 480 | R | A | -1.8449 | |
| 481 | F | A | 0.0000 | |
| 482 | E | A | -2.4702 | |
| 483 | K | A | -2.8307 | |
| 484 | E | A | -2.8720 | |
| 485 | K | A | -2.4398 | |
| 486 | S | A | -2.6380 | |
| 487 | K | A | -3.5765 | |
| 488 | D | A | -2.4959 | |
| 489 | F | A | -1.6372 | |
| 490 | K | A | -2.8065 | |
| 491 | N | A | -2.5831 | |
| 492 | H | A | -1.4183 | |
| 493 | V | A | -0.3576 | |
| 494 | M | A | -0.6592 | |
| 495 | K | A | -1.5844 | |
| 496 | Y | A | 0.0000 | |
| 497 | L | A | 0.6228 | |
| 498 | E | A | -1.2385 | |
| 499 | T | A | -0.8850 | |
| 500 | L | A | 0.0838 | |
| 501 | L | A | 0.0119 | |
| 502 | H | A | -1.3614 | |
| 503 | S | A | -1.6236 | |
| 504 | Q | A | -1.9440 | |
| 505 | Q | A | -2.2813 | |
| 506 | Q | A | -2.2977 | |
| 507 | L | A | -1.5216 | |
| 508 | A | A | -1.7775 | |
| 509 | K | A | -2.6391 | |
| 510 | Y | A | -1.4249 | |
| 511 | W | A | -0.4549 | |
| 512 | E | A | -1.8264 | |
| 513 | A | A | -0.8696 | |
| 514 | F | A | -0.6140 | |
| 515 | L | A | -0.1974 | |
| 516 | P | A | -0.7317 | |
| 517 | E | A | -1.0484 | |
| 518 | A | A | -0.4788 | |
| 519 | K | A | -1.3354 | |
| 520 | A | A | -0.4378 | |
| 521 | I | A | 0.3905 | |
| 522 | S | A | -0.0385 |
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 | -0.7729 | 6.2724 | View | CSV | PDB |
| 4.5 | -0.8787 | 6.2724 | View | CSV | PDB |
| 5.0 | -1.0163 | 6.2724 | View | CSV | PDB |
| 5.5 | -1.1592 | 6.2724 | View | CSV | PDB |
| 6.0 | -1.2781 | 6.2724 | View | CSV | PDB |
| 6.5 | -1.3499 | 6.2724 | View | CSV | PDB |
| 7.0 | -1.3677 | 6.2724 | View | CSV | PDB |
| 7.5 | -1.3451 | 6.2724 | View | CSV | PDB |
| 8.0 | -1.3002 | 6.2724 | View | CSV | PDB |
| 8.5 | -1.2428 | 6.2724 | View | CSV | PDB |
| 9.0 | -1.1749 | 6.2724 | 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