| Chain sequence(s) | MEIGGSGAPPPLLLLPLLLLLGTGLLPASSHIETRAHAEERLLKRLFSGYNKWSRPVANISDVVLVRFGLSIAQLIDVDEKNQMMTTNVWVKQEWHDYKLRWDPGDYENVTSIRIPSELIWRPDIVLYNNADGDFAVTHLTKAHLFYDGRVQWTPPAIYKSSCSIDVTFFPFDQQNCTMKFGSWTYDKAKIDLVSMHSRVDQLDFWESGEWVIVDAVGTYNTRKYECCAEIYPDITYAFIIRRLPLFYTINLIIPCLLISCLTVLVFYLPSECGEKVTLCISVLLSLTVFLLLITEIIPSTSLVIPLIGEYLLFTMIFVTLSIVITVFVLNVHHRSPRTHTMPAWVRRVFLDIVPRLLFMKRPSVVKDNCRRLIESMHKMANAPRFWPEPESEPGILGDICNQGLSPAPTFCNRMDTAVETQPTCRSPSHKVPDLKTSEVEKASPCPSPGSCHPPNSSGAPVLIKARSLSVQHVPSSQEAAEGSIRCRSRSIQYCVSQDGAASLTESKPTGSPASLKTRPSQLPVSDQTSPCKCTCKEPSPVSPITVLKAGGTKAPPQHLPLSPALTRAVEGVQYIADHLKAEDTDFSVKEDWKYVAMVIDRIFLWMFIIVCLLGTVGLFLPPWLAGMI 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 partially or entirely disordered. Average score is
recommended for pH analysis. (00:00:05)
[INFO] FoldX: Starting FoldX energy minimization (00:00:05)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:15:22)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/89de514256ad22/tmp/folded.pdb (00:15:22)
[INFO] Main: Simulation completed successfully. (00:26:49)
|
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 | 0.5897 | |
| 2 | E | A | -0.4592 | |
| 3 | I | A | 1.0139 | |
| 4 | G | A | 0.0400 | |
| 5 | G | A | -0.4745 | |
| 6 | S | A | -0.7888 | |
| 7 | G | A | -0.7038 | |
| 8 | A | A | -0.3878 | |
| 9 | P | A | -0.5039 | |
| 10 | P | A | -0.1277 | |
| 11 | P | A | 0.6648 | |
| 12 | L | A | 2.5923 | |
| 13 | L | A | 3.3313 | |
| 14 | L | A | 3.5769 | |
| 15 | L | A | 3.4046 | |
| 16 | P | A | 2.4169 | |
| 17 | L | A | 3.3766 | |
| 18 | L | A | 3.8219 | |
| 19 | L | A | 3.6719 | |
| 20 | L | A | 3.5648 | |
| 21 | L | A | 2.6651 | |
| 22 | G | A | 1.5440 | |
| 23 | T | A | 0.9816 | |
| 24 | G | A | 0.6860 | |
| 25 | L | A | 1.9144 | |
| 26 | L | A | 1.9898 | |
| 27 | P | A | 0.8380 | |
| 28 | A | A | 0.3170 | |
| 29 | S | A | -0.0728 | |
| 30 | S | A | -0.3364 | |
| 31 | H | A | -0.4044 | |
| 32 | I | A | 0.7829 | |
| 33 | E | A | -0.9264 | |
| 34 | T | A | -1.5229 | |
| 35 | R | A | -3.0131 | |
| 36 | A | A | -2.2589 | |
| 37 | H | A | -2.4279 | |
| 38 | A | A | 0.0000 | |
| 39 | E | A | -3.1502 | |
| 40 | E | A | -3.4103 | |
| 41 | R | A | -3.2350 | |
| 42 | L | A | 0.0000 | |
| 43 | L | A | -2.2397 | |
| 44 | K | A | -3.1628 | |
| 45 | R | A | -2.9813 | |
| 46 | L | A | -1.7064 | |
| 47 | F | A | -0.8079 | |
| 48 | S | A | -1.2362 | |
| 49 | G | A | -1.2041 | |
| 50 | Y | A | -0.7705 | |
| 51 | N | A | -1.1967 | |
| 52 | K | A | -1.0330 | |
| 53 | W | A | 0.3268 | |
| 54 | S | A | -0.2478 | |
| 55 | R | A | -0.0835 | |
| 56 | P | A | 0.0000 | |
| 57 | V | A | -0.0491 | |
| 58 | A | A | -0.1940 | |
| 59 | N | A | -0.4276 | |
| 60 | I | A | 1.0726 | |
| 61 | S | A | 0.0108 | |
| 62 | D | A | -0.3539 | |
| 63 | V | A | 0.3095 | |
| 64 | V | A | 0.0000 | |
| 65 | L | A | 0.3537 | |
| 66 | V | A | 0.0000 | |
| 67 | R | A | -1.3408 | |
| 68 | F | A | 0.0000 | |
| 69 | G | A | 0.0000 | |
| 70 | L | A | 0.0000 | |
| 71 | S | A | 0.0000 | |
| 72 | I | A | 0.0000 | |
| 73 | A | A | 0.0000 | |
| 74 | Q | A | -0.3102 | |
| 75 | L | A | 0.0000 | |
| 76 | I | A | 0.1971 | |
| 77 | D | A | -1.5818 | |
| 78 | V | A | 0.0000 | |
| 79 | D | A | -1.8168 | |
| 80 | E | A | -1.9827 | |
| 81 | K | A | -2.7950 | |
| 82 | N | A | -2.3344 | |
| 83 | Q | A | -1.8568 | |
| 84 | M | A | -1.4754 | |
| 85 | M | A | 0.0000 | |
| 86 | T | A | 0.0000 | |
| 87 | T | A | 0.0000 | |
| 88 | N | A | 0.5478 | |
| 89 | V | A | 0.0000 | |
| 90 | W | A | 0.0940 | |
| 91 | V | A | 0.0000 | |
| 92 | K | A | -0.8321 | |
| 93 | Q | A | 0.0000 | |
| 94 | E | A | -1.1931 | |
| 95 | W | A | 0.0000 | |
| 96 | H | A | -1.5618 | |
| 97 | D | A | 0.0000 | |
| 98 | Y | A | -0.7004 | |
| 99 | K | A | -1.3786 | |
| 100 | L | A | 0.0000 | |
| 101 | R | A | -2.2946 | |
| 102 | W | A | 0.0000 | |
| 103 | D | A | -3.1634 | |
| 104 | P | A | -2.7342 | |
| 105 | G | A | -2.8101 | |
| 106 | D | A | -3.2602 | |
| 107 | Y | A | 0.0000 | |
| 108 | E | A | -3.9334 | |
| 109 | N | A | -3.1750 | |
| 110 | V | A | 0.0000 | |
| 111 | T | A | -0.8822 | |
| 112 | S | A | -0.6343 | |
| 113 | I | A | 0.0000 | |
| 114 | R | A | -2.3904 | |
| 115 | I | A | 0.0000 | |
| 116 | P | A | -1.2737 | |
| 117 | S | A | 0.0000 | |
| 118 | E | A | -1.6668 | |
| 119 | L | A | -0.4761 | |
| 120 | I | A | 0.0000 | |
| 121 | W | A | 0.0000 | |
| 122 | R | A | -1.0306 | |
| 123 | P | A | 0.0000 | |
| 124 | D | A | -0.0641 | |
| 125 | I | A | 0.5467 | |
| 126 | V | A | 0.0000 | |
| 127 | L | A | 0.0000 | |
| 128 | Y | A | 0.5458 | |
| 129 | N | A | -0.2372 | |
| 130 | N | A | -0.6282 | |
| 131 | A | A | -0.9294 | |
| 132 | D | A | -1.1663 | |
| 133 | G | A | -1.2568 | |
| 134 | D | A | -1.1688 | |
| 135 | F | A | 0.8069 | |
| 136 | A | A | 0.2721 | |
| 137 | V | A | 0.5666 | |
| 138 | T | A | 0.1432 | |
| 139 | H | A | -0.2373 | |
| 140 | L | A | 0.2105 | |
| 141 | T | A | -0.8317 | |
| 142 | K | A | -2.1514 | |
| 143 | A | A | 0.0000 | |
| 144 | H | A | -1.6223 | |
| 145 | L | A | 0.0000 | |
| 146 | F | A | -0.6866 | |
| 147 | Y | A | -0.7793 | |
| 148 | D | A | -1.6788 | |
| 149 | G | A | 0.0000 | |
| 150 | R | A | -1.4216 | |
| 151 | V | A | 0.0000 | |
| 152 | Q | A | -1.4724 | |
| 153 | W | A | 0.0000 | |
| 154 | T | A | -0.4359 | |
| 155 | P | A | 0.0000 | |
| 156 | P | A | 0.3104 | |
| 157 | A | A | 0.0000 | |
| 158 | I | A | 1.5736 | |
| 159 | Y | A | 0.0000 | |
| 160 | K | A | -0.6588 | |
| 161 | S | A | 0.0000 | |
| 162 | S | A | -0.7412 | |
| 163 | C | A | 0.0000 | |
| 164 | S | A | -1.0117 | |
| 165 | I | A | 0.0000 | |
| 166 | D | A | -1.1754 | |
| 167 | V | A | 0.0000 | |
| 168 | T | A | 0.6917 | |
| 169 | F | A | 0.7293 | |
| 170 | F | A | 0.0000 | |
| 171 | P | A | 0.0000 | |
| 172 | F | A | 0.8563 | |
| 173 | D | A | 0.0000 | |
| 174 | Q | A | -1.3759 | |
| 175 | Q | A | 0.0000 | |
| 176 | N | A | -1.7262 | |
| 177 | C | A | 0.0000 | |
| 178 | T | A | -0.4093 | |
| 179 | M | A | 0.0000 | |
| 180 | K | A | -0.4548 | |
| 181 | F | A | 0.0000 | |
| 182 | G | A | 0.0000 | |
| 183 | S | A | 0.0000 | |
| 184 | W | A | 1.2438 | |
| 185 | T | A | 0.4860 | |
| 186 | Y | A | 0.1147 | |
| 187 | D | A | 0.0000 | |
| 188 | K | A | -0.4389 | |
| 189 | A | A | -0.3557 | |
| 190 | K | A | -0.5376 | |
| 191 | I | A | 0.0000 | |
| 192 | D | A | -0.1551 | |
| 193 | L | A | 0.0000 | |
| 194 | V | A | 0.0305 | |
| 195 | S | A | -0.6709 | |
| 196 | M | A | -0.9620 | |
| 197 | H | A | -1.6581 | |
| 198 | S | A | -1.3896 | |
| 199 | R | A | -2.2459 | |
| 200 | V | A | 0.0000 | |
| 201 | D | A | -0.8550 | |
| 202 | Q | A | -0.6151 | |
| 203 | L | A | 0.6052 | |
| 204 | D | A | -1.0438 | |
| 205 | F | A | -0.3732 | |
| 206 | W | A | 0.0827 | |
| 207 | E | A | -1.5060 | |
| 208 | S | A | -0.9891 | |
| 209 | G | A | -1.0246 | |
| 210 | E | A | -0.8568 | |
| 211 | W | A | 0.0000 | |
| 212 | V | A | 0.1463 | |
| 213 | I | A | 0.7081 | |
| 214 | V | A | 1.6446 | |
| 215 | D | A | 0.3794 | |
| 216 | A | A | 0.0000 | |
| 217 | V | A | -0.5150 | |
| 218 | G | A | -0.5845 | |
| 219 | T | A | -0.1557 | |
| 220 | Y | A | 0.2707 | |
| 221 | N | A | -0.5144 | |
| 222 | T | A | -0.6606 | |
| 223 | R | A | -1.7232 | |
| 224 | K | A | -2.0447 | |
| 225 | Y | A | -1.3315 | |
| 226 | E | A | -1.8937 | |
| 227 | C | A | -0.3648 | |
| 228 | C | A | -0.4299 | |
| 229 | A | A | -0.6599 | |
| 230 | E | A | -1.1988 | |
| 231 | I | A | -0.2264 | |
| 232 | Y | A | -0.3619 | |
| 233 | P | A | 0.0000 | |
| 234 | D | A | 0.0000 | |
| 235 | I | A | 0.0000 | |
| 236 | T | A | -0.0872 | |
| 237 | Y | A | 0.0000 | |
| 238 | A | A | -0.3909 | |
| 239 | F | A | 0.0000 | |
| 240 | I | A | 0.1497 | |
| 241 | I | A | 0.0000 | |
| 242 | R | A | -0.5826 | |
| 243 | R | A | 0.0000 | |
| 244 | L | A | 0.8383 | |
| 245 | P | A | 1.7311 | |
| 246 | L | A | 2.9556 | |
| 247 | F | A | 3.0075 | |
| 248 | Y | A | 2.0228 | |
| 249 | T | A | 2.2269 | |
| 250 | I | A | 2.8098 | |
| 251 | N | A | 0.7873 | |
| 252 | L | A | 0.0000 | |
| 253 | I | A | 0.0000 | |
| 254 | I | A | 2.0813 | |
| 255 | P | A | 1.4475 | |
| 256 | C | A | 0.0000 | |
| 257 | L | A | 1.8270 | |
| 258 | L | A | 2.5462 | |
| 259 | I | A | 1.8192 | |
| 260 | S | A | 1.6242 | |
| 261 | C | A | 2.2036 | |
| 262 | L | A | 1.7777 | |
| 263 | T | A | 0.0000 | |
| 264 | V | A | 1.8478 | |
| 265 | L | A | 1.9372 | |
| 266 | V | A | 0.0000 | |
| 267 | F | A | 0.0000 | |
| 268 | Y | A | 1.7461 | |
| 269 | L | A | 0.6177 | |
| 270 | P | A | -0.4155 | |
| 271 | S | A | 0.0000 | |
| 272 | E | A | -2.2280 | |
| 273 | C | A | -1.1878 | |
| 274 | G | A | -1.5084 | |
| 275 | E | A | -1.9512 | |
| 276 | K | A | 0.0000 | |
| 277 | V | A | 0.6117 | |
| 278 | T | A | -0.1130 | |
| 279 | L | A | 0.3101 | |
| 280 | C | A | 0.0000 | |
| 281 | I | A | 1.4909 | |
| 282 | S | A | 0.9604 | |
| 283 | V | A | 0.0000 | |
| 284 | L | A | 1.8202 | |
| 285 | L | A | 2.2035 | |
| 286 | S | A | 1.7193 | |
| 287 | L | A | 0.0000 | |
| 288 | T | A | 2.1420 | |
| 289 | V | A | 3.0512 | |
| 290 | F | A | 2.1081 | |
| 291 | L | A | 1.7783 | |
| 292 | L | A | 2.2659 | |
| 293 | L | A | 1.5697 | |
| 294 | I | A | 0.0000 | |
| 295 | T | A | 0.0611 | |
| 296 | E | A | -1.2585 | |
| 297 | I | A | -0.6803 | |
| 298 | I | A | -0.8444 | |
| 299 | P | A | 0.0000 | |
| 300 | S | A | -0.5516 | |
| 301 | T | A | 0.2330 | |
| 302 | S | A | 1.0268 | |
| 303 | L | A | 1.8559 | |
| 304 | V | A | 1.8049 | |
| 305 | I | A | 2.2349 | |
| 306 | P | A | 0.0000 | |
| 307 | L | A | 0.7546 | |
| 308 | I | A | 0.0000 | |
| 309 | G | A | 0.0000 | |
| 310 | E | A | 0.0143 | |
| 311 | Y | A | 0.0000 | |
| 312 | L | A | 0.0000 | |
| 313 | L | A | 1.2840 | |
| 314 | F | A | 1.3632 | |
| 315 | T | A | 0.0000 | |
| 316 | M | A | 1.7995 | |
| 317 | I | A | 2.7062 | |
| 318 | F | A | 2.0255 | |
| 319 | V | A | 0.0000 | |
| 320 | T | A | 1.7491 | |
| 321 | L | A | 1.8943 | |
| 322 | S | A | 0.0000 | |
| 323 | I | A | 2.1108 | |
| 324 | V | A | 2.8488 | |
| 325 | I | A | 1.9314 | |
| 326 | T | A | 0.0000 | |
| 327 | V | A | 2.0112 | |
| 328 | F | A | 1.6336 | |
| 329 | V | A | 0.0000 | |
| 330 | L | A | -0.3655 | |
| 331 | N | A | -0.9993 | |
| 332 | V | A | 0.0000 | |
| 333 | H | A | -1.4692 | |
| 334 | H | A | -2.0924 | |
| 335 | R | A | -1.9886 | |
| 336 | S | A | -1.5482 | |
| 337 | P | A | -1.4349 | |
| 338 | R | A | -2.2800 | |
| 339 | T | A | -1.4691 | |
| 340 | H | A | -1.4784 | |
| 341 | T | A | -0.7678 | |
| 342 | M | A | -0.3165 | |
| 343 | P | A | -0.3363 | |
| 344 | A | A | -0.2771 | |
| 345 | W | A | 0.2912 | |
| 346 | V | A | 0.0000 | |
| 347 | R | A | -1.8927 | |
| 348 | R | A | -2.0298 | |
| 349 | V | A | -0.2677 | |
| 350 | F | A | -0.3954 | |
| 351 | L | A | -1.4315 | |
| 352 | D | A | -2.0321 | |
| 353 | I | A | 0.0011 | |
| 354 | V | A | 0.6968 | |
| 355 | P | A | 0.0000 | |
| 356 | R | A | -0.5967 | |
| 357 | L | A | 1.5947 | |
| 358 | L | A | 1.4886 | |
| 359 | F | A | 1.5380 | |
| 360 | M | A | -0.0723 | |
| 361 | K | A | -1.7438 | |
| 362 | R | A | -1.4926 | |
| 363 | P | A | -0.9757 | |
| 364 | S | A | -0.8637 | |
| 365 | V | A | -0.1676 | |
| 366 | V | A | 0.0230 | |
| 367 | K | A | -2.4054 | |
| 368 | D | A | -3.0288 | |
| 369 | N | A | -2.0755 | |
| 370 | C | A | -1.3325 | |
| 371 | R | A | -3.2460 | |
| 372 | R | A | -3.3433 | |
| 373 | L | A | -0.8477 | |
| 374 | I | A | -0.9487 | |
| 375 | E | A | -2.6399 | |
| 376 | S | A | -1.2638 | |
| 377 | M | A | -0.5838 | |
| 378 | H | A | -1.9002 | |
| 379 | K | A | -2.0878 | |
| 380 | M | A | -0.6175 | |
| 381 | A | A | -1.0139 | |
| 382 | N | A | -1.9391 | |
| 383 | A | A | -1.1357 | |
| 384 | P | A | -0.6559 | |
| 385 | R | A | -0.7743 | |
| 386 | F | A | 1.2912 | |
| 387 | W | A | 1.0210 | |
| 388 | P | A | -0.5714 | |
| 389 | E | A | -2.0588 | |
| 390 | P | A | -2.1845 | |
| 391 | E | A | -2.9572 | |
| 392 | S | A | -2.3480 | |
| 393 | E | A | -2.3907 | |
| 394 | P | A | -0.9774 | |
| 395 | G | A | 0.2665 | |
| 396 | I | A | 2.1837 | |
| 397 | L | A | 1.8381 | |
| 398 | G | A | 0.2685 | |
| 399 | D | A | -0.5278 | |
| 400 | I | A | 1.1082 | |
| 401 | C | A | 0.5247 | |
| 402 | N | A | -1.1727 | |
| 403 | Q | A | -1.5994 | |
| 404 | G | A | -0.7145 | |
| 405 | L | A | 0.8868 | |
| 406 | S | A | 0.2766 | |
| 407 | P | A | -0.0724 | |
| 408 | A | A | -0.0620 | |
| 409 | P | A | 0.0847 | |
| 410 | T | A | 0.9504 | |
| 411 | F | A | 1.9591 | |
| 412 | C | A | 0.6460 | |
| 413 | N | A | -1.2464 | |
| 414 | R | A | -2.2181 | |
| 415 | M | A | -1.0709 | |
| 416 | D | A | -1.4454 | |
| 417 | T | A | -0.7278 | |
| 418 | A | A | 0.1131 | |
| 419 | V | A | 0.4747 | |
| 420 | E | A | -1.2198 | |
| 421 | T | A | -1.1522 | |
| 422 | Q | A | -1.4059 | |
| 423 | P | A | -0.9224 | |
| 424 | T | A | -0.7426 | |
| 425 | C | A | -0.4620 | |
| 426 | R | A | -1.7420 | |
| 427 | S | A | -1.2722 | |
| 428 | P | A | -1.3046 | |
| 429 | S | A | -1.3714 | |
| 430 | H | A | -1.6942 | |
| 431 | K | A | -1.7048 | |
| 432 | V | A | 0.2680 | |
| 433 | P | A | -0.6047 | |
| 434 | D | A | -1.2877 | |
| 435 | L | A | -0.0671 | |
| 436 | K | A | -1.4641 | |
| 437 | T | A | -1.1283 | |
| 438 | S | A | -1.0460 | |
| 439 | E | A | -1.5063 | |
| 440 | V | A | -0.4841 | |
| 441 | E | A | -2.0551 | |
| 442 | K | A | -2.2478 | |
| 443 | A | A | -1.4974 | |
| 444 | S | A | -0.5453 | |
| 445 | P | A | -0.2549 | |
| 446 | C | A | 0.3564 | |
| 447 | P | A | -0.1846 | |
| 448 | S | A | -0.4074 | |
| 449 | P | A | -0.6088 | |
| 450 | G | A | -0.6038 | |
| 451 | S | A | -0.3710 | |
| 452 | C | A | -0.0500 | |
| 453 | H | A | -0.9966 | |
| 454 | P | A | -1.0091 | |
| 455 | P | A | -1.1924 | |
| 456 | N | A | -1.7146 | |
| 457 | S | A | -1.1281 | |
| 458 | S | A | -0.8479 | |
| 459 | G | A | -0.6373 | |
| 460 | A | A | -0.0362 | |
| 461 | P | A | 1.0347 | |
| 462 | V | A | 2.7515 | |
| 463 | L | A | 2.8960 | |
| 464 | I | A | 2.1993 | |
| 465 | K | A | -0.6171 | |
| 466 | A | A | -0.8771 | |
| 467 | R | A | -1.7611 | |
| 468 | S | A | -0.4006 | |
| 469 | L | A | 1.1915 | |
| 470 | S | A | 0.7205 | |
| 471 | V | A | 1.4631 | |
| 472 | Q | A | -0.2283 | |
| 473 | H | A | -0.4534 | |
| 474 | V | A | 0.9767 | |
| 475 | P | A | 0.0572 | |
| 476 | S | A | -0.3534 | |
| 477 | S | A | -1.1897 | |
| 478 | Q | A | -2.3384 | |
| 479 | E | A | -2.4905 | |
| 480 | A | A | -1.4266 | |
| 481 | A | A | -1.2717 | |
| 482 | E | A | -1.8458 | |
| 483 | G | A | -1.1287 | |
| 484 | S | A | -0.2639 | |
| 485 | I | A | 0.6908 | |
| 486 | R | A | -1.0963 | |
| 487 | C | A | -0.8077 | |
| 488 | R | A | -2.3107 | |
| 489 | S | A | -1.8755 | |
| 490 | R | A | -2.1001 | |
| 491 | S | A | -0.5463 | |
| 492 | I | A | 1.2696 | |
| 493 | Q | A | 0.3285 | |
| 494 | Y | A | 1.9686 | |
| 495 | C | A | 2.0001 | |
| 496 | V | A | 2.0741 | |
| 497 | S | A | -0.2106 | |
| 498 | Q | A | -1.8125 | |
| 499 | D | A | -2.6330 | |
| 500 | G | A | -1.5586 | |
| 501 | A | A | -0.5775 | |
| 502 | A | A | 0.1937 | |
| 503 | S | A | 0.5527 | |
| 504 | L | A | 1.0442 | |
| 505 | T | A | -0.2277 | |
| 506 | E | A | -1.9842 | |
| 507 | S | A | -2.0383 | |
| 508 | K | A | -2.3317 | |
| 509 | P | A | -1.3938 | |
| 510 | T | A | -0.8443 | |
| 511 | G | A | -0.7034 | |
| 512 | S | A | -0.5725 | |
| 513 | P | A | -0.4794 | |
| 514 | A | A | 0.0979 | |
| 515 | S | A | 0.1423 | |
| 516 | L | A | 0.6277 | |
| 517 | K | A | -1.4583 | |
| 518 | T | A | -1.5864 | |
| 519 | R | A | -2.5829 | |
| 520 | P | A | -1.6326 | |
| 521 | S | A | -1.0452 | |
| 522 | Q | A | -0.6070 | |
| 523 | L | A | 1.1072 | |
| 524 | P | A | 1.1313 | |
| 525 | V | A | 1.1775 | |
| 526 | S | A | -0.5011 | |
| 527 | D | A | -2.0879 | |
| 528 | Q | A | -2.0537 | |
| 529 | T | A | -1.1863 | |
| 530 | S | A | -0.9429 | |
| 531 | P | A | -0.4926 | |
| 532 | C | A | -0.0975 | |
| 533 | K | A | -1.0236 | |
| 534 | C | A | 0.0243 | |
| 535 | T | A | -0.4109 | |
| 536 | C | A | -0.6284 | |
| 537 | K | A | -2.2507 | |
| 538 | E | A | -2.6618 | |
| 539 | P | A | -1.4193 | |
| 540 | S | A | -0.7117 | |
| 541 | P | A | 0.1428 | |
| 542 | V | A | 1.4152 | |
| 543 | S | A | 0.8952 | |
| 544 | P | A | 1.1480 | |
| 545 | I | A | 2.2128 | |
| 546 | T | A | 1.8334 | |
| 547 | V | A | 2.5706 | |
| 548 | L | A | 1.5267 | |
| 549 | K | A | -0.7363 | |
| 550 | A | A | -0.7369 | |
| 551 | G | A | -1.1527 | |
| 552 | G | A | -1.3491 | |
| 553 | T | A | -1.2078 | |
| 554 | K | A | -1.9646 | |
| 555 | A | A | -1.1687 | |
| 556 | P | A | -1.1264 | |
| 557 | P | A | -1.2067 | |
| 558 | Q | A | -1.4778 | |
| 559 | H | A | -0.8892 | |
| 560 | L | A | 0.7431 | |
| 561 | P | A | 0.4193 | |
| 562 | L | A | 0.9041 | |
| 563 | S | A | 0.3048 | |
| 564 | P | A | -0.3212 | |
| 565 | A | A | -0.0381 | |
| 566 | L | A | 0.7410 | |
| 567 | T | A | -0.0396 | |
| 568 | R | A | -1.4445 | |
| 569 | A | A | 0.1345 | |
| 570 | V | A | 1.1971 | |
| 571 | E | A | -0.4832 | |
| 572 | G | A | 0.6276 | |
| 573 | V | A | 1.8307 | |
| 574 | Q | A | 0.3707 | |
| 575 | Y | A | 1.4994 | |
| 576 | I | A | 2.3346 | |
| 577 | A | A | 0.3981 | |
| 578 | D | A | -1.0467 | |
| 579 | H | A | -0.8978 | |
| 580 | L | A | -0.5912 | |
| 581 | K | A | -2.3453 | |
| 582 | A | A | -2.1222 | |
| 583 | E | A | -2.9008 | |
| 584 | D | A | -2.6620 | |
| 585 | T | A | -1.5453 | |
| 586 | D | A | -1.6525 | |
| 587 | F | A | -0.6042 | |
| 588 | S | A | -0.3108 | |
| 589 | V | A | -0.7502 | |
| 590 | K | A | -1.3354 | |
| 591 | E | A | -0.5463 | |
| 592 | D | A | 0.0000 | |
| 593 | W | A | 0.0000 | |
| 594 | K | A | -1.4896 | |
| 595 | Y | A | 0.0000 | |
| 596 | V | A | 0.0000 | |
| 597 | A | A | 0.0000 | |
| 598 | M | A | 0.4194 | |
| 599 | V | A | 0.0000 | |
| 600 | I | A | 0.0000 | |
| 601 | D | A | 0.0000 | |
| 602 | R | A | 0.6158 | |
| 603 | I | A | 1.3771 | |
| 604 | F | A | 1.4807 | |
| 605 | L | A | 1.8287 | |
| 606 | W | A | 2.1808 | |
| 607 | M | A | 1.8468 | |
| 608 | F | A | 0.0000 | |
| 609 | I | A | 2.6946 | |
| 610 | I | A | 2.7019 | |
| 611 | V | A | 2.4855 | |
| 612 | C | A | 2.5473 | |
| 613 | L | A | 3.2928 | |
| 614 | L | A | 3.0993 | |
| 615 | G | A | 2.0366 | |
| 616 | T | A | 2.0043 | |
| 617 | V | A | 2.6951 | |
| 618 | G | A | 1.2829 | |
| 619 | L | A | 1.1698 | |
| 620 | F | A | 1.6165 | |
| 621 | L | A | 1.8350 | |
| 622 | P | A | 1.1939 | |
| 623 | P | A | 0.0000 | |
| 624 | W | A | 2.6146 | |
| 625 | L | A | 2.2787 | |
| 626 | A | A | 1.8412 | |
| 627 | G | A | 1.5675 | |
| 628 | M | A | 2.4819 | |
| 629 | I | A | 2.7500 |
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 | 0.1909 | 5.9772 | View | CSV | PDB |
| 4.5 | 0.1359 | 5.9772 | View | CSV | PDB |
| 5.0 | 0.0685 | 5.9772 | View | CSV | PDB |
| 5.5 | 0.0033 | 5.9772 | View | CSV | PDB |
| 6.0 | -0.0458 | 5.9772 | View | CSV | PDB |
| 6.5 | -0.0712 | 5.9772 | View | CSV | PDB |
| 7.0 | -0.0745 | 5.9772 | View | CSV | PDB |
| 7.5 | -0.0637 | 5.9772 | View | CSV | PDB |
| 8.0 | -0.0451 | 5.9772 | View | CSV | PDB |
| 8.5 | -0.0203 | 5.9772 | View | CSV | PDB |
| 9.0 | 0.0117 | 5.9772 | 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