| Chain sequence(s) | MASSTPSPATSSNAGADPNTTNLRPTTYDTWCGVAHGCTRKLGLKICGFLQRTNSLEEKSRLVSAFRERQSSKNLLSCENSDQGARFRRTETDFSNLFAQDLLPAKNGEEQTAQFLLEVVDILLNYVRKTFDRSTKVLDFHHPHQLLEGMEGFNLELSDHPESLEQILVDCRDTLKYGVRTGHPRFFNQLSTGLDIIGLAGEWLTSTANTNMFTYEIAPVFVLMEQITLKKMREIVGWSNKDGDGIFSPGGAISNMYSIMAARYKYFPEVKTKGMAAVPKLVLFTSEHSHYSIKKAGAALGFGTDNVILIKCNERGKIIPADLEAKILDAKQKGYVPLYVNATAGTTVYGAFDPIQEIADICEKYNLWLHVDAAWGGGLLMSRKHRHKLSGIERANSVTWNPHKMMGVLLQCSAILVKEKGILQGCNQMCAGYLFQPDKQYDVSYDTGDKAIQCGRHVDIFKFWLMWKAKGTVGFENQINKCLELADYLYAKIKNREEFEMVFDGEPEHTNVCFWYIPQSLRGVPDSPERREKLHRVAPKIKALMMESGTTMVGYQPQGDKANFFRMVISNPAATQSDIDFLIEEIERLGQDL 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 (00:10:32)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/2a7da4dfdfb7df/tmp/folded.pdb (00:10:32)
[INFO] Main: Simulation completed successfully. (00:16:30)
|
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 | 1.0331 | |
| 2 | A | A | 0.3980 | |
| 3 | S | A | -0.0651 | |
| 4 | S | A | -0.3972 | |
| 5 | T | A | -0.3864 | |
| 6 | P | A | -0.4939 | |
| 7 | S | A | -0.4593 | |
| 8 | P | A | -0.3972 | |
| 9 | A | A | -0.1907 | |
| 10 | T | A | -0.2501 | |
| 11 | S | A | -0.5997 | |
| 12 | S | A | -1.0397 | |
| 13 | N | A | -1.5150 | |
| 14 | A | A | -1.0573 | |
| 15 | G | A | -1.2494 | |
| 16 | A | A | -1.3815 | |
| 17 | D | A | -2.3610 | |
| 18 | P | A | -1.7947 | |
| 19 | N | A | -2.1065 | |
| 20 | T | A | -1.2411 | |
| 21 | T | A | -0.9194 | |
| 22 | N | A | -1.2637 | |
| 23 | L | A | -0.0360 | |
| 24 | R | A | -1.3510 | |
| 25 | P | A | -0.6643 | |
| 26 | T | A | -0.3611 | |
| 27 | T | A | -0.0368 | |
| 28 | Y | A | 0.6172 | |
| 29 | D | A | -0.7447 | |
| 30 | T | A | -0.0386 | |
| 31 | W | A | 1.0041 | |
| 32 | C | A | 0.4529 | |
| 33 | G | A | -0.3706 | |
| 34 | V | A | -0.5107 | |
| 35 | A | A | -0.5900 | |
| 36 | H | A | -1.4966 | |
| 37 | G | A | -1.3537 | |
| 38 | C | A | -1.1399 | |
| 39 | T | A | -1.4946 | |
| 40 | R | A | -2.4936 | |
| 41 | K | A | -2.2792 | |
| 42 | L | A | -0.9301 | |
| 43 | G | A | -0.6008 | |
| 44 | L | A | 0.2460 | |
| 45 | K | A | -0.8139 | |
| 46 | I | A | 0.0000 | |
| 47 | C | A | 0.1644 | |
| 48 | G | A | -0.3404 | |
| 49 | F | A | -0.5657 | |
| 50 | L | A | -0.6571 | |
| 51 | Q | A | -2.0631 | |
| 52 | R | A | -2.5973 | |
| 53 | T | A | -1.9671 | |
| 54 | N | A | -3.0004 | |
| 55 | S | A | -2.6350 | |
| 56 | L | A | -1.7696 | |
| 57 | E | A | -3.4756 | |
| 58 | E | A | -3.5879 | |
| 59 | K | A | -2.5483 | |
| 60 | S | A | -1.9006 | |
| 61 | R | A | -2.2050 | |
| 62 | L | A | 0.4451 | |
| 63 | V | A | 1.2907 | |
| 64 | S | A | 0.9076 | |
| 65 | A | A | 0.8027 | |
| 66 | F | A | 0.5528 | |
| 67 | R | A | -2.1266 | |
| 68 | E | A | -3.3288 | |
| 69 | R | A | -3.4431 | |
| 70 | Q | A | -3.1216 | |
| 71 | S | A | -2.0839 | |
| 72 | S | A | -1.8115 | |
| 73 | K | A | -2.0526 | |
| 74 | N | A | -1.1389 | |
| 75 | L | A | 1.3260 | |
| 76 | L | A | 1.7452 | |
| 77 | S | A | 0.4882 | |
| 78 | C | A | -0.0617 | |
| 79 | E | A | -2.2612 | |
| 80 | N | A | -2.8408 | |
| 81 | S | A | -2.5151 | |
| 82 | D | A | -3.2209 | |
| 83 | Q | A | -2.7455 | |
| 84 | G | A | -2.0595 | |
| 85 | A | A | -1.5714 | |
| 86 | R | A | -2.3648 | |
| 87 | F | A | -1.5198 | |
| 88 | R | A | -3.0112 | |
| 89 | R | A | -3.1660 | |
| 90 | T | A | -2.4698 | |
| 91 | E | A | -2.9801 | |
| 92 | T | A | -2.4279 | |
| 93 | D | A | -2.7005 | |
| 94 | F | A | 0.0000 | |
| 95 | S | A | -1.7336 | |
| 96 | N | A | -1.9214 | |
| 97 | L | A | -1.2485 | |
| 98 | F | A | -0.8551 | |
| 99 | A | A | -0.5919 | |
| 100 | Q | A | -1.1843 | |
| 101 | D | A | -1.6298 | |
| 102 | L | A | -1.4497 | |
| 103 | L | A | -1.2692 | |
| 104 | P | A | -1.0196 | |
| 105 | A | A | -1.8715 | |
| 106 | K | A | -2.6658 | |
| 107 | N | A | -3.1032 | |
| 108 | G | A | 0.0000 | |
| 109 | E | A | -3.3851 | |
| 110 | E | A | -2.8535 | |
| 111 | Q | A | -1.9006 | |
| 112 | T | A | -1.1863 | |
| 113 | A | A | -0.8349 | |
| 114 | Q | A | 0.0000 | |
| 115 | F | A | -0.1664 | |
| 116 | L | A | 0.6625 | |
| 117 | L | A | 0.4191 | |
| 118 | E | A | -0.0609 | |
| 119 | V | A | 0.4870 | |
| 120 | V | A | 0.0000 | |
| 121 | D | A | -0.2567 | |
| 122 | I | A | -0.2628 | |
| 123 | L | A | -0.3633 | |
| 124 | L | A | -0.7671 | |
| 125 | N | A | -1.8478 | |
| 126 | Y | A | -1.3989 | |
| 127 | V | A | 0.0000 | |
| 128 | R | A | -2.4997 | |
| 129 | K | A | -2.4011 | |
| 130 | T | A | 0.0000 | |
| 131 | F | A | -0.7588 | |
| 132 | D | A | -2.0976 | |
| 133 | R | A | -1.5762 | |
| 134 | S | A | -1.2802 | |
| 135 | T | A | -1.6447 | |
| 136 | K | A | -2.2668 | |
| 137 | V | A | 0.0000 | |
| 138 | L | A | 0.0000 | |
| 139 | D | A | -1.8309 | |
| 140 | F | A | -0.7426 | |
| 141 | H | A | -0.9350 | |
| 142 | H | A | -1.0293 | |
| 143 | P | A | -1.0154 | |
| 144 | H | A | -1.6158 | |
| 145 | Q | A | -1.4593 | |
| 146 | L | A | -0.6310 | |
| 147 | L | A | -0.2330 | |
| 148 | E | A | -1.8773 | |
| 149 | G | A | -1.7041 | |
| 150 | M | A | -1.2453 | |
| 151 | E | A | -2.3564 | |
| 152 | G | A | -1.5673 | |
| 153 | F | A | -1.3508 | |
| 154 | N | A | -1.4422 | |
| 155 | L | A | 0.1502 | |
| 156 | E | A | -0.7137 | |
| 157 | L | A | -0.0687 | |
| 158 | S | A | -1.2287 | |
| 159 | D | A | -2.3041 | |
| 160 | H | A | -2.2534 | |
| 161 | P | A | -1.8777 | |
| 162 | E | A | -2.3769 | |
| 163 | S | A | -1.4585 | |
| 164 | L | A | 0.0000 | |
| 165 | E | A | -1.6792 | |
| 166 | Q | A | -1.2836 | |
| 167 | I | A | -0.3582 | |
| 168 | L | A | 0.0000 | |
| 169 | V | A | -0.5608 | |
| 170 | D | A | -1.0019 | |
| 171 | C | A | -0.8283 | |
| 172 | R | A | -1.9875 | |
| 173 | D | A | 0.0000 | |
| 174 | T | A | -0.7997 | |
| 175 | L | A | -0.9759 | |
| 176 | K | A | -2.3435 | |
| 177 | Y | A | -0.9599 | |
| 178 | G | A | -0.3761 | |
| 179 | V | A | -0.0096 | |
| 180 | R | A | -0.4825 | |
| 181 | T | A | -0.1182 | |
| 182 | G | A | 0.0000 | |
| 183 | H | A | 0.0000 | |
| 184 | P | A | 0.0000 | |
| 185 | R | A | -0.5951 | |
| 186 | F | A | 0.0000 | |
| 187 | F | A | 0.0000 | |
| 188 | N | A | -0.6058 | |
| 189 | Q | A | -1.0390 | |
| 190 | L | A | 0.0000 | |
| 191 | S | A | -0.2490 | |
| 192 | T | A | 0.0000 | |
| 193 | G | A | 0.0307 | |
| 194 | L | A | 0.3599 | |
| 195 | D | A | 0.2040 | |
| 196 | I | A | 0.4607 | |
| 197 | I | A | 0.3416 | |
| 198 | G | A | 0.0000 | |
| 199 | L | A | 0.2637 | |
| 200 | A | A | 0.0000 | |
| 201 | G | A | 0.0000 | |
| 202 | E | A | -0.0595 | |
| 203 | W | A | 0.0428 | |
| 204 | L | A | -0.1646 | |
| 205 | T | A | 0.0000 | |
| 206 | S | A | -0.7162 | |
| 207 | T | A | -0.5259 | |
| 208 | A | A | -0.7588 | |
| 209 | N | A | -1.5182 | |
| 210 | T | A | -0.8521 | |
| 211 | N | A | -0.9751 | |
| 212 | M | A | 0.0000 | |
| 213 | F | A | -0.0830 | |
| 214 | T | A | 0.0000 | |
| 215 | Y | A | -0.1756 | |
| 216 | E | A | -1.2068 | |
| 217 | I | A | 0.1959 | |
| 218 | A | A | 0.0000 | |
| 219 | P | A | 0.4739 | |
| 220 | V | A | 1.2652 | |
| 221 | F | A | 0.0000 | |
| 222 | V | A | 0.0000 | |
| 223 | L | A | 1.2030 | |
| 224 | M | A | 0.9701 | |
| 225 | E | A | 0.0000 | |
| 226 | Q | A | 0.0116 | |
| 227 | I | A | 0.8421 | |
| 228 | T | A | 0.0000 | |
| 229 | L | A | 0.0000 | |
| 230 | K | A | -1.7775 | |
| 231 | K | A | -1.6085 | |
| 232 | M | A | 0.0000 | |
| 233 | R | A | 0.0000 | |
| 234 | E | A | -2.9345 | |
| 235 | I | A | -1.3847 | |
| 236 | V | A | 0.0000 | |
| 237 | G | A | -1.6400 | |
| 238 | W | A | 0.0000 | |
| 239 | S | A | -2.2829 | |
| 240 | N | A | -3.1505 | |
| 241 | K | A | -3.1657 | |
| 242 | D | A | -2.7787 | |
| 243 | G | A | -2.6118 | |
| 244 | D | A | -1.6621 | |
| 245 | G | A | 0.0000 | |
| 246 | I | A | 0.0000 | |
| 247 | F | A | 0.0000 | |
| 248 | S | A | 0.0000 | |
| 249 | P | A | -0.3151 | |
| 250 | G | A | -0.0448 | |
| 251 | G | A | -0.1146 | |
| 252 | A | A | 0.0716 | |
| 253 | I | A | 0.2148 | |
| 254 | S | A | 0.0000 | |
| 255 | N | A | 0.0000 | |
| 256 | M | A | 0.0000 | |
| 257 | Y | A | 0.0000 | |
| 258 | S | A | 0.0000 | |
| 259 | I | A | 0.0000 | |
| 260 | M | A | -0.1596 | |
| 261 | A | A | 0.0000 | |
| 262 | A | A | 0.0000 | |
| 263 | R | A | -0.5350 | |
| 264 | Y | A | -0.8184 | |
| 265 | K | A | -1.2919 | |
| 266 | Y | A | -0.2855 | |
| 267 | F | A | -0.3438 | |
| 268 | P | A | -1.2833 | |
| 269 | E | A | -1.7919 | |
| 270 | V | A | 0.0000 | |
| 271 | K | A | -2.4334 | |
| 272 | T | A | -1.9689 | |
| 273 | K | A | -2.4192 | |
| 274 | G | A | -1.5529 | |
| 275 | M | A | -0.8947 | |
| 276 | A | A | -0.5047 | |
| 277 | A | A | -0.6355 | |
| 278 | V | A | -0.4407 | |
| 279 | P | A | -0.6994 | |
| 280 | K | A | -1.7377 | |
| 281 | L | A | 0.0000 | |
| 282 | V | A | 0.0000 | |
| 283 | L | A | 0.0000 | |
| 284 | F | A | 0.0000 | |
| 285 | T | A | 0.0000 | |
| 286 | S | A | 0.0000 | |
| 287 | E | A | -1.5034 | |
| 288 | H | A | -0.9292 | |
| 289 | S | A | -0.2805 | |
| 290 | H | A | -0.0226 | |
| 291 | Y | A | 0.5397 | |
| 292 | S | A | 0.0000 | |
| 293 | I | A | 0.0000 | |
| 294 | K | A | -0.8952 | |
| 295 | K | A | -1.2240 | |
| 296 | A | A | 0.0000 | |
| 297 | G | A | 0.0000 | |
| 298 | A | A | -0.9618 | |
| 299 | A | A | -0.4536 | |
| 300 | L | A | -0.2784 | |
| 301 | G | A | -0.4062 | |
| 302 | F | A | 0.0000 | |
| 303 | G | A | -1.3545 | |
| 304 | T | A | -1.4032 | |
| 305 | D | A | -1.8203 | |
| 306 | N | A | -1.1883 | |
| 307 | V | A | 0.0000 | |
| 308 | I | A | -0.0664 | |
| 309 | L | A | -0.2818 | |
| 310 | I | A | 0.0000 | |
| 311 | K | A | -1.9241 | |
| 312 | C | A | 0.0000 | |
| 313 | N | A | -1.7470 | |
| 314 | E | A | -2.8293 | |
| 315 | R | A | -2.2037 | |
| 316 | G | A | 0.0000 | |
| 317 | K | A | -1.1961 | |
| 318 | I | A | 0.0000 | |
| 319 | I | A | -0.4301 | |
| 320 | P | A | -0.9235 | |
| 321 | A | A | -0.5189 | |
| 322 | D | A | -0.5768 | |
| 323 | L | A | 0.0000 | |
| 324 | E | A | -0.5734 | |
| 325 | A | A | -0.3868 | |
| 326 | K | A | -0.9289 | |
| 327 | I | A | 0.0000 | |
| 328 | L | A | -0.6261 | |
| 329 | D | A | -1.9546 | |
| 330 | A | A | 0.0000 | |
| 331 | K | A | -2.2308 | |
| 332 | Q | A | -2.7275 | |
| 333 | K | A | -2.9880 | |
| 334 | G | A | -2.1260 | |
| 335 | Y | A | -1.4609 | |
| 336 | V | A | -0.5135 | |
| 337 | P | A | -0.3567 | |
| 338 | L | A | 0.0000 | |
| 339 | Y | A | 0.0000 | |
| 340 | V | A | 0.0000 | |
| 341 | N | A | 0.0000 | |
| 342 | A | A | 0.0000 | |
| 343 | T | A | 0.0000 | |
| 344 | A | A | 0.0000 | |
| 345 | G | A | 0.0000 | |
| 346 | T | A | 0.0000 | |
| 347 | T | A | -0.0772 | |
| 348 | V | A | 0.0000 | |
| 349 | Y | A | 0.0000 | |
| 350 | G | A | 0.0000 | |
| 351 | A | A | 0.0000 | |
| 352 | F | A | 0.0000 | |
| 353 | D | A | 0.0000 | |
| 354 | P | A | -0.7616 | |
| 355 | I | A | 0.0000 | |
| 356 | Q | A | -1.9788 | |
| 357 | E | A | -2.5458 | |
| 358 | I | A | 0.0000 | |
| 359 | A | A | 0.0000 | |
| 360 | D | A | -3.7331 | |
| 361 | I | A | 0.0000 | |
| 362 | C | A | 0.0000 | |
| 363 | E | A | -3.6608 | |
| 364 | K | A | -3.3274 | |
| 365 | Y | A | -1.9124 | |
| 366 | N | A | -2.4076 | |
| 367 | L | A | 0.0000 | |
| 368 | W | A | 0.0000 | |
| 369 | L | A | 0.0000 | |
| 370 | H | A | 0.0000 | |
| 371 | V | A | 0.0000 | |
| 372 | D | A | 0.0000 | |
| 373 | A | A | 0.0000 | |
| 374 | A | A | -0.0879 | |
| 375 | W | A | 0.0000 | |
| 376 | G | A | 0.0000 | |
| 377 | G | A | 0.0000 | |
| 378 | G | A | 0.0000 | |
| 379 | L | A | 0.0000 | |
| 380 | L | A | 0.0000 | |
| 381 | M | A | 0.0000 | |
| 382 | S | A | 0.0000 | |
| 383 | R | A | -2.9805 | |
| 384 | K | A | -3.1504 | |
| 385 | H | A | -2.4235 | |
| 386 | R | A | -2.5830 | |
| 387 | H | A | -2.3447 | |
| 388 | K | A | -1.4281 | |
| 389 | L | A | 0.0000 | |
| 390 | S | A | -1.1810 | |
| 391 | G | A | 0.0000 | |
| 392 | I | A | 0.0000 | |
| 393 | E | A | -1.5127 | |
| 394 | R | A | -1.5859 | |
| 395 | A | A | 0.0000 | |
| 396 | N | A | -0.8605 | |
| 397 | S | A | 0.0000 | |
| 398 | V | A | 0.0000 | |
| 399 | T | A | 0.0000 | |
| 400 | W | A | 0.0000 | |
| 401 | N | A | 0.0000 | |
| 402 | P | A | 0.0000 | |
| 403 | H | A | 0.0000 | |
| 404 | K | A | -0.2695 | |
| 405 | M | A | 0.0000 | |
| 406 | M | A | 0.0000 | |
| 407 | G | A | 0.0000 | |
| 408 | V | A | 0.0000 | |
| 409 | L | A | 0.6948 | |
| 410 | L | A | 1.0302 | |
| 411 | Q | A | -0.0543 | |
| 412 | C | A | 0.0000 | |
| 413 | S | A | 0.0000 | |
| 414 | A | A | 0.0000 | |
| 415 | I | A | 0.0000 | |
| 416 | L | A | 0.0000 | |
| 417 | V | A | 0.0000 | |
| 418 | K | A | -1.9193 | |
| 419 | E | A | -2.1706 | |
| 420 | K | A | -2.8329 | |
| 421 | G | A | -1.7005 | |
| 422 | I | A | 0.0000 | |
| 423 | L | A | 0.0000 | |
| 424 | Q | A | -1.3578 | |
| 425 | G | A | -1.2001 | |
| 426 | C | A | -0.8184 | |
| 427 | N | A | -0.3443 | |
| 428 | Q | A | 0.0428 | |
| 429 | M | A | 1.0758 | |
| 430 | C | A | 0.9559 | |
| 431 | A | A | 0.7533 | |
| 432 | G | A | 0.3390 | |
| 433 | Y | A | 1.1335 | |
| 434 | L | A | 0.6417 | |
| 435 | F | A | 0.0000 | |
| 436 | Q | A | -1.0919 | |
| 437 | P | A | -1.7445 | |
| 438 | D | A | -2.6195 | |
| 439 | K | A | -2.3275 | |
| 440 | Q | A | -2.2136 | |
| 441 | Y | A | -1.6581 | |
| 442 | D | A | -1.9627 | |
| 443 | V | A | -1.2817 | |
| 444 | S | A | -0.3976 | |
| 445 | Y | A | -0.1251 | |
| 446 | D | A | -0.4136 | |
| 447 | T | A | -0.0767 | |
| 448 | G | A | 0.0000 | |
| 449 | D | A | 0.0000 | |
| 450 | K | A | -0.4056 | |
| 451 | A | A | 0.0000 | |
| 452 | I | A | 0.8757 | |
| 453 | Q | A | 0.1602 | |
| 454 | C | A | 0.1955 | |
| 455 | G | A | -0.5111 | |
| 456 | R | A | 0.0000 | |
| 457 | H | A | -1.5084 | |
| 458 | V | A | 0.0000 | |
| 459 | D | A | 0.0000 | |
| 460 | I | A | 0.0000 | |
| 461 | F | A | 0.4638 | |
| 462 | K | A | 0.0000 | |
| 463 | F | A | 0.0000 | |
| 464 | W | A | 0.2010 | |
| 465 | L | A | -0.2041 | |
| 466 | M | A | 0.0000 | |
| 467 | W | A | 0.0000 | |
| 468 | K | A | -1.6545 | |
| 469 | A | A | -0.8455 | |
| 470 | K | A | -0.6391 | |
| 471 | G | A | -0.2611 | |
| 472 | T | A | 0.2105 | |
| 473 | V | A | 1.0279 | |
| 474 | G | A | -0.0709 | |
| 475 | F | A | 0.0000 | |
| 476 | E | A | 0.0000 | |
| 477 | N | A | -1.1475 | |
| 478 | Q | A | 0.0000 | |
| 479 | I | A | 0.0000 | |
| 480 | N | A | -1.9955 | |
| 481 | K | A | -2.0323 | |
| 482 | C | A | 0.0000 | |
| 483 | L | A | 0.0000 | |
| 484 | E | A | -2.8056 | |
| 485 | L | A | 0.0000 | |
| 486 | A | A | 0.0000 | |
| 487 | D | A | -2.7643 | |
| 488 | Y | A | -1.4809 | |
| 489 | L | A | 0.0000 | |
| 490 | Y | A | -1.7293 | |
| 491 | A | A | -1.6171 | |
| 492 | K | A | -1.7543 | |
| 493 | I | A | 0.0000 | |
| 494 | K | A | -3.3463 | |
| 495 | N | A | -3.0616 | |
| 496 | R | A | -2.9446 | |
| 497 | E | A | -3.2664 | |
| 498 | E | A | -2.3621 | |
| 499 | F | A | 0.0000 | |
| 500 | E | A | -2.3628 | |
| 501 | M | A | -1.7065 | |
| 502 | V | A | 0.0000 | |
| 503 | F | A | 0.0000 | |
| 504 | D | A | -2.7959 | |
| 505 | G | A | -2.2336 | |
| 506 | E | A | -2.7564 | |
| 507 | P | A | -1.6036 | |
| 508 | E | A | -1.0162 | |
| 509 | H | A | 0.0000 | |
| 510 | T | A | 0.0000 | |
| 511 | N | A | 0.0000 | |
| 512 | V | A | 0.0000 | |
| 513 | C | A | 0.0000 | |
| 514 | F | A | 0.0000 | |
| 515 | W | A | -0.3397 | |
| 516 | Y | A | 0.0000 | |
| 517 | I | A | -1.1568 | |
| 518 | P | A | 0.0000 | |
| 519 | Q | A | -2.0362 | |
| 520 | S | A | -1.2335 | |
| 521 | L | A | 0.0000 | |
| 522 | R | A | -1.3741 | |
| 523 | G | A | -0.9666 | |
| 524 | V | A | -0.3475 | |
| 525 | P | A | -1.2817 | |
| 526 | D | A | -2.3653 | |
| 527 | S | A | -2.2945 | |
| 528 | P | A | -2.7879 | |
| 529 | E | A | -3.7098 | |
| 530 | R | A | -3.2151 | |
| 531 | R | A | -4.0187 | |
| 532 | E | A | -4.2806 | |
| 533 | K | A | -3.8102 | |
| 534 | L | A | 0.0000 | |
| 535 | H | A | -3.1187 | |
| 536 | R | A | -3.1899 | |
| 537 | V | A | 0.0000 | |
| 538 | A | A | 0.0000 | |
| 539 | P | A | -1.1467 | |
| 540 | K | A | -1.4791 | |
| 541 | I | A | 0.0000 | |
| 542 | K | A | 0.0000 | |
| 543 | A | A | -0.5130 | |
| 544 | L | A | -0.4481 | |
| 545 | M | A | 0.0000 | |
| 546 | M | A | -0.7792 | |
| 547 | E | A | -1.6727 | |
| 548 | S | A | -1.1077 | |
| 549 | G | A | 0.0000 | |
| 550 | T | A | -0.9497 | |
| 551 | T | A | 0.0000 | |
| 552 | M | A | 0.0000 | |
| 553 | V | A | 0.0000 | |
| 554 | G | A | -0.2282 | |
| 555 | Y | A | 0.1552 | |
| 556 | Q | A | -0.5023 | |
| 557 | P | A | -1.0577 | |
| 558 | Q | A | -1.4040 | |
| 559 | G | A | -1.8233 | |
| 560 | D | A | -2.5081 | |
| 561 | K | A | -2.1710 | |
| 562 | A | A | 0.0000 | |
| 563 | N | A | 0.0000 | |
| 564 | F | A | 0.0000 | |
| 565 | F | A | 0.0000 | |
| 566 | R | A | -0.2808 | |
| 567 | M | A | 0.0000 | |
| 568 | V | A | 0.0000 | |
| 569 | I | A | 0.0000 | |
| 570 | S | A | 0.0000 | |
| 571 | N | A | 0.0000 | |
| 572 | P | A | -0.3732 | |
| 573 | A | A | 0.0903 | |
| 574 | A | A | 0.0000 | |
| 575 | T | A | -0.7673 | |
| 576 | Q | A | -1.3949 | |
| 577 | S | A | -0.8357 | |
| 578 | D | A | 0.0000 | |
| 579 | I | A | 0.0000 | |
| 580 | D | A | -1.2673 | |
| 581 | F | A | -0.8039 | |
| 582 | L | A | 0.0000 | |
| 583 | I | A | 0.0000 | |
| 584 | E | A | -2.2941 | |
| 585 | E | A | 0.0000 | |
| 586 | I | A | 0.0000 | |
| 587 | E | A | -2.1106 | |
| 588 | R | A | -2.5807 | |
| 589 | L | A | -1.5280 | |
| 590 | G | A | 0.0000 | |
| 591 | Q | A | -2.6012 | |
| 592 | D | A | -2.4684 | |
| 593 | L | A | -1.2664 |
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 | -0.6592 | 4.505 | View | CSV | PDB |
| 4.5 | -0.7259 | 4.3914 | View | CSV | PDB |
| 5.0 | -0.8085 | 4.2757 | View | CSV | PDB |
| 5.5 | -0.8917 | 4.1711 | View | CSV | PDB |
| 6.0 | -0.9597 | 4.0729 | View | CSV | PDB |
| 6.5 | -0.9993 | 3.9657 | View | CSV | PDB |
| 7.0 | -1.0076 | 3.8438 | View | CSV | PDB |
| 7.5 | -0.9932 | 3.7143 | View | CSV | PDB |
| 8.0 | -0.9659 | 3.5883 | View | CSV | PDB |
| 8.5 | -0.9297 | 3.4801 | View | CSV | PDB |
| 9.0 | -0.8846 | 3.4053 | 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