| Chain sequence(s) | MTSIIKLTTLSGVQEESALCYLLQVDEFRFLLDCGWDEHFSVDIIDSLRKHVHQIDAVLLSHPDPLHLGALPFAVGKLGLNCAIYATIPVYKMGQMFMYDLYQSRHNTEDFTLFTLDDVDAAFDKIQQLKFSQIVNLKGKGHGLSITPLPAGHMIGGTIWKIVKDGEEEIVYAVDFNHKREIHLNGCSLEMLSRPSLLITDSFNATYVQPRRKQRDEQLLTNVLETLRGDGNVLIAVDTAGRVLELAQLLDQIWRTKDAGLGVYSLALLNNVSYNVVEFSKSQVEWMSDKLMRCFEDKRNNPFQFRHLSLCHGLSDLARVPSPKVVLASQPDLECGFSRDLFIQWCQDPKNSIILTYRTTPGTLARFLIDNPTEKVTEIELRKRVKLEGKELEEYVEKEKLKKEAAKKLEQSKEADIDSSDESDVEEDVDQPSAHKTKHDLMMKGEGSRKGSFFKQAKKSYPMFPAPEERIKWDEYGEIIKPEDFLVPELQATEEEKSKLESGLTNGEEPMDQDLSDVPTKCVSATESIEIKARVTYIDYEGRSDGDSIKKIINQMKPRQLIIVHGPPEASQDLAECCRAFGGKDIKVYMPKLHETVDATSETHIYQVRLKDSLVSSLQFCKAKDAELAWIDGVLDMRVSKVDTGVILEEGELKDDGEDSEMQVDAPSDSSAMAQQKAMKSLFGEDEKELGEETEIIPTLEPLPPHEVPGHQSVFMNEPRLSDFKQVLLREGIQAEFVGGVLVCNNQVAVRRTETGRIGLEGCLCQDFYRIRDLLYEQYAIV 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. (00:00:07)
[INFO] FoldX: Starting FoldX energy minimization (00:00:07)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:40:52)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/92673a47850408/tmp/folded.pdb (00:40:52)
[INFO] Main: Simulation completed successfully. (00:58:36)
|
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 | 0.6752 | |
| 2 | T | A | -0.2961 | |
| 3 | S | A | 0.0000 | |
| 4 | I | A | -0.4388 | |
| 5 | I | A | 0.0000 | |
| 6 | K | A | 0.0000 | |
| 7 | L | A | 0.0000 | |
| 8 | T | A | -0.9233 | |
| 9 | T | A | 0.0000 | |
| 10 | L | A | 0.0000 | |
| 11 | S | A | 0.0000 | |
| 12 | G | A | 0.0000 | |
| 13 | V | A | 0.0000 | |
| 14 | Q | A | -1.4329 | |
| 15 | E | A | -1.3717 | |
| 16 | E | A | -0.7216 | |
| 17 | S | A | -0.4458 | |
| 18 | A | A | 0.0000 | |
| 19 | L | A | 0.0000 | |
| 20 | C | A | 0.0000 | |
| 21 | Y | A | 0.0000 | |
| 22 | L | A | 0.0000 | |
| 23 | L | A | 0.0000 | |
| 24 | Q | A | -1.1053 | |
| 25 | V | A | 0.0000 | |
| 26 | D | A | -1.8339 | |
| 27 | E | A | -2.7838 | |
| 28 | F | A | 0.0000 | |
| 29 | R | A | -1.5140 | |
| 30 | F | A | 0.0000 | |
| 31 | L | A | 0.0000 | |
| 32 | L | A | 0.0000 | |
| 33 | D | A | 0.0000 | |
| 34 | C | A | 0.0000 | |
| 35 | G | A | 0.0000 | |
| 36 | W | A | 0.0000 | |
| 37 | D | A | 0.0000 | |
| 38 | E | A | -0.8830 | |
| 39 | H | A | -1.0179 | |
| 40 | F | A | 0.0000 | |
| 41 | S | A | -0.3142 | |
| 42 | V | A | 0.3249 | |
| 43 | D | A | -1.7108 | |
| 44 | I | A | 0.0000 | |
| 45 | I | A | 0.0000 | |
| 46 | D | A | -2.8398 | |
| 47 | S | A | 0.0000 | |
| 48 | L | A | 0.0000 | |
| 49 | R | A | -3.8135 | |
| 50 | K | A | -3.3328 | |
| 51 | H | A | -2.3936 | |
| 52 | V | A | 0.0000 | |
| 53 | H | A | -2.3880 | |
| 54 | Q | A | -2.1437 | |
| 55 | I | A | 0.0000 | |
| 56 | D | A | -1.7516 | |
| 57 | A | A | 0.0000 | |
| 58 | V | A | 0.0000 | |
| 59 | L | A | 0.0000 | |
| 60 | L | A | 0.0000 | |
| 61 | S | A | 0.0000 | |
| 62 | H | A | 0.0000 | |
| 63 | P | A | 0.0000 | |
| 64 | D | A | -0.1411 | |
| 65 | P | A | -0.0811 | |
| 66 | L | A | 0.0443 | |
| 67 | H | A | 0.0000 | |
| 68 | L | A | 0.0000 | |
| 69 | G | A | 0.0000 | |
| 70 | A | A | 0.0000 | |
| 71 | L | A | 0.0000 | |
| 72 | P | A | 0.0000 | |
| 73 | F | A | -0.3108 | |
| 74 | A | A | 0.0000 | |
| 75 | V | A | 0.0000 | |
| 76 | G | A | -1.5580 | |
| 77 | K | A | -1.6206 | |
| 78 | L | A | 0.0000 | |
| 79 | G | A | -1.5802 | |
| 80 | L | A | 0.0000 | |
| 81 | N | A | -1.7756 | |
| 82 | C | A | -0.9924 | |
| 83 | A | A | -0.6198 | |
| 84 | I | A | 0.0000 | |
| 85 | Y | A | 0.0000 | |
| 86 | A | A | 0.0000 | |
| 87 | T | A | 0.0000 | |
| 88 | I | A | -0.0052 | |
| 89 | P | A | 0.0000 | |
| 90 | V | A | 0.0000 | |
| 91 | Y | A | -0.3090 | |
| 92 | K | A | -0.4274 | |
| 93 | M | A | 0.0000 | |
| 94 | G | A | 0.0000 | |
| 95 | Q | A | 0.0000 | |
| 96 | M | A | 0.0000 | |
| 97 | F | A | 0.0000 | |
| 98 | M | A | 0.0000 | |
| 99 | Y | A | 0.1727 | |
| 100 | D | A | 0.0000 | |
| 101 | L | A | 0.0000 | |
| 102 | Y | A | -0.1800 | |
| 103 | Q | A | -0.7941 | |
| 104 | S | A | 0.0000 | |
| 105 | R | A | -1.3320 | |
| 106 | H | A | -1.9728 | |
| 107 | N | A | -2.3547 | |
| 108 | T | A | -2.1398 | |
| 109 | E | A | -2.1648 | |
| 110 | D | A | -2.2771 | |
| 111 | F | A | 0.0000 | |
| 112 | T | A | -0.4468 | |
| 113 | L | A | 0.0169 | |
| 114 | F | A | 0.0000 | |
| 115 | T | A | -0.5813 | |
| 116 | L | A | -0.6620 | |
| 117 | D | A | -2.0683 | |
| 118 | D | A | -1.6371 | |
| 119 | V | A | 0.0000 | |
| 120 | D | A | -2.1160 | |
| 121 | A | A | -1.7424 | |
| 122 | A | A | 0.0000 | |
| 123 | F | A | 0.0000 | |
| 124 | D | A | -2.5053 | |
| 125 | K | A | -1.9807 | |
| 126 | I | A | 0.0000 | |
| 127 | Q | A | -1.5121 | |
| 128 | Q | A | -1.2529 | |
| 129 | L | A | 0.0000 | |
| 130 | K | A | -0.7908 | |
| 131 | F | A | 0.0102 | |
| 132 | S | A | 0.0322 | |
| 133 | Q | A | 0.0712 | |
| 134 | I | A | 1.4318 | |
| 135 | V | A | 0.2239 | |
| 136 | N | A | -1.3495 | |
| 137 | L | A | 0.0000 | |
| 138 | K | A | -3.0255 | |
| 139 | G | A | -2.4669 | |
| 140 | K | A | -3.3330 | |
| 141 | G | A | 0.0000 | |
| 142 | H | A | -2.8398 | |
| 143 | G | A | -2.1484 | |
| 144 | L | A | 0.0000 | |
| 145 | S | A | 0.0000 | |
| 146 | I | A | 0.0000 | |
| 147 | T | A | 0.3174 | |
| 148 | P | A | 0.0000 | |
| 149 | L | A | 0.0000 | |
| 150 | P | A | -0.1971 | |
| 151 | A | A | 0.0000 | |
| 152 | G | A | 0.0000 | |
| 153 | H | A | 0.0000 | |
| 154 | M | A | 0.0000 | |
| 155 | I | A | 0.0000 | |
| 156 | G | A | 0.0000 | |
| 157 | G | A | 0.0000 | |
| 158 | T | A | 0.0000 | |
| 159 | I | A | 0.0000 | |
| 160 | W | A | 0.0000 | |
| 161 | K | A | -0.0371 | |
| 162 | I | A | 0.0000 | |
| 163 | V | A | -0.7332 | |
| 164 | K | A | -1.9018 | |
| 165 | D | A | -2.4457 | |
| 166 | G | A | -1.6609 | |
| 167 | E | A | -1.6108 | |
| 168 | E | A | -1.9141 | |
| 169 | E | A | -1.2407 | |
| 170 | I | A | 0.0000 | |
| 171 | V | A | 0.0000 | |
| 172 | Y | A | 0.0000 | |
| 173 | A | A | 0.0000 | |
| 174 | V | A | 0.0000 | |
| 175 | D | A | 0.0000 | |
| 176 | F | A | 0.0000 | |
| 177 | N | A | 0.0000 | |
| 178 | H | A | -1.1970 | |
| 179 | K | A | -1.9611 | |
| 180 | R | A | -2.4227 | |
| 181 | E | A | 0.0000 | |
| 182 | I | A | -0.4000 | |
| 183 | H | A | 0.0000 | |
| 184 | L | A | 0.0000 | |
| 185 | N | A | -1.9210 | |
| 186 | G | A | -1.4356 | |
| 187 | C | A | -0.8227 | |
| 188 | S | A | -0.5194 | |
| 189 | L | A | 0.0000 | |
| 190 | E | A | -1.5343 | |
| 191 | M | A | -0.0079 | |
| 192 | L | A | 0.0000 | |
| 193 | S | A | -1.4108 | |
| 194 | R | A | -2.1986 | |
| 195 | P | A | 0.0000 | |
| 196 | S | A | -1.2480 | |
| 197 | L | A | 0.0000 | |
| 198 | L | A | 0.0000 | |
| 199 | I | A | 0.0000 | |
| 200 | T | A | 0.0000 | |
| 201 | D | A | 0.0000 | |
| 202 | S | A | 0.0000 | |
| 203 | F | A | 0.0000 | |
| 204 | N | A | 0.0000 | |
| 205 | A | A | 0.0000 | |
| 206 | T | A | -0.4727 | |
| 207 | Y | A | 0.7084 | |
| 208 | V | A | 1.1757 | |
| 209 | Q | A | -0.0881 | |
| 210 | P | A | -1.4032 | |
| 211 | R | A | -3.1089 | |
| 212 | R | A | -3.0615 | |
| 213 | K | A | -3.7779 | |
| 214 | Q | A | -3.6959 | |
| 215 | R | A | 0.0000 | |
| 216 | D | A | -2.6241 | |
| 217 | E | A | -3.3736 | |
| 218 | Q | A | -2.2845 | |
| 219 | L | A | 0.0000 | |
| 220 | L | A | -0.9702 | |
| 221 | T | A | -1.2052 | |
| 222 | N | A | -1.2080 | |
| 223 | V | A | 0.0000 | |
| 224 | L | A | -1.1910 | |
| 225 | E | A | -2.7299 | |
| 226 | T | A | 0.0000 | |
| 227 | L | A | 0.0000 | |
| 228 | R | A | -3.1515 | |
| 229 | G | A | -2.6958 | |
| 230 | D | A | -3.0267 | |
| 231 | G | A | 0.0000 | |
| 232 | N | A | -1.1630 | |
| 233 | V | A | 0.0000 | |
| 234 | L | A | 0.0000 | |
| 235 | I | A | 0.0000 | |
| 236 | A | A | 0.0000 | |
| 237 | V | A | 0.0000 | |
| 238 | D | A | 0.0000 | |
| 239 | T | A | 0.0000 | |
| 240 | A | A | 0.0000 | |
| 241 | G | A | 0.0000 | |
| 242 | R | A | 0.0000 | |
| 243 | V | A | 0.0000 | |
| 244 | L | A | 0.0000 | |
| 245 | E | A | 0.0000 | |
| 246 | L | A | 0.0000 | |
| 247 | A | A | 0.0000 | |
| 248 | Q | A | 0.0000 | |
| 249 | L | A | 0.0000 | |
| 250 | L | A | 0.0000 | |
| 251 | D | A | 0.0000 | |
| 252 | Q | A | -1.1706 | |
| 253 | I | A | -1.0020 | |
| 254 | W | A | 0.0000 | |
| 255 | R | A | -2.2322 | |
| 256 | T | A | -2.0854 | |
| 257 | K | A | -2.8380 | |
| 258 | D | A | -2.9084 | |
| 259 | A | A | -1.7176 | |
| 260 | G | A | -1.3126 | |
| 261 | L | A | 0.0000 | |
| 262 | G | A | -0.4896 | |
| 263 | V | A | 1.3737 | |
| 264 | Y | A | 0.3572 | |
| 265 | S | A | 0.2111 | |
| 266 | L | A | 0.0000 | |
| 267 | A | A | 0.0000 | |
| 268 | L | A | 0.0000 | |
| 269 | L | A | 0.0000 | |
| 270 | N | A | 0.0000 | |
| 271 | N | A | -0.2631 | |
| 272 | V | A | 0.0000 | |
| 273 | S | A | 0.0000 | |
| 274 | Y | A | -0.0005 | |
| 275 | N | A | -1.3672 | |
| 276 | V | A | 0.0000 | |
| 277 | V | A | 0.0000 | |
| 278 | E | A | -2.2171 | |
| 279 | F | A | -1.1372 | |
| 280 | S | A | 0.0000 | |
| 281 | K | A | -1.7067 | |
| 282 | S | A | -1.1141 | |
| 283 | Q | A | 0.0000 | |
| 284 | V | A | 0.0000 | |
| 285 | E | A | -2.2192 | |
| 286 | W | A | 0.0000 | |
| 287 | M | A | 0.0000 | |
| 288 | S | A | 0.0000 | |
| 289 | D | A | -2.9924 | |
| 290 | K | A | -2.9810 | |
| 291 | L | A | 0.0000 | |
| 292 | M | A | -3.0408 | |
| 293 | R | A | -4.3967 | |
| 294 | C | A | -3.4408 | |
| 295 | F | A | -3.7351 | |
| 296 | E | A | -4.4267 | |
| 297 | D | A | -4.4921 | |
| 298 | K | A | -4.5058 | |
| 299 | R | A | -4.3554 | |
| 300 | N | A | -3.6321 | |
| 301 | N | A | -2.1468 | |
| 302 | P | A | -1.0654 | |
| 303 | F | A | 0.0000 | |
| 304 | Q | A | -2.3741 | |
| 305 | F | A | 0.0000 | |
| 306 | R | A | -2.5191 | |
| 307 | H | A | -1.6150 | |
| 308 | L | A | 0.0000 | |
| 309 | S | A | -0.2758 | |
| 310 | L | A | 0.1616 | |
| 311 | C | A | 0.0000 | |
| 312 | H | A | -0.4008 | |
| 313 | G | A | -0.2439 | |
| 314 | L | A | -0.3041 | |
| 315 | S | A | -0.7179 | |
| 316 | D | A | -1.1571 | |
| 317 | L | A | 0.0000 | |
| 318 | A | A | -0.9802 | |
| 319 | R | A | -1.9898 | |
| 320 | V | A | -0.9400 | |
| 321 | P | A | -0.7016 | |
| 322 | S | A | -0.8357 | |
| 323 | P | A | -0.9657 | |
| 324 | K | A | 0.0000 | |
| 325 | V | A | 0.0000 | |
| 326 | V | A | 0.0000 | |
| 327 | L | A | 0.0000 | |
| 328 | A | A | 0.0000 | |
| 329 | S | A | 0.0000 | |
| 330 | Q | A | -0.3135 | |
| 331 | P | A | 0.0000 | |
| 332 | D | A | 0.0000 | |
| 333 | L | A | 0.0000 | |
| 334 | E | A | -0.8069 | |
| 335 | C | A | 0.0000 | |
| 336 | G | A | -0.7756 | |
| 337 | F | A | -0.3790 | |
| 338 | S | A | 0.0000 | |
| 339 | R | A | 0.0000 | |
| 340 | D | A | -1.7481 | |
| 341 | L | A | 0.0000 | |
| 342 | F | A | 0.0000 | |
| 343 | I | A | -0.8647 | |
| 344 | Q | A | -1.6748 | |
| 345 | W | A | 0.0000 | |
| 346 | C | A | 0.0000 | |
| 347 | Q | A | -2.6363 | |
| 348 | D | A | -2.6921 | |
| 349 | P | A | -2.2184 | |
| 350 | K | A | -3.0356 | |
| 351 | N | A | 0.0000 | |
| 352 | S | A | 0.0000 | |
| 353 | I | A | 0.0000 | |
| 354 | I | A | 0.0000 | |
| 355 | L | A | 0.0000 | |
| 356 | T | A | 0.0000 | |
| 357 | Y | A | 0.2072 | |
| 358 | R | A | -0.2638 | |
| 359 | T | A | 0.0000 | |
| 360 | T | A | -0.5659 | |
| 361 | P | A | -0.8340 | |
| 362 | G | A | -0.6946 | |
| 363 | T | A | 0.0000 | |
| 364 | L | A | -0.2580 | |
| 365 | A | A | 0.0000 | |
| 366 | R | A | -0.5619 | |
| 367 | F | A | -0.5402 | |
| 368 | L | A | 0.0000 | |
| 369 | I | A | -0.6712 | |
| 370 | D | A | -1.9888 | |
| 371 | N | A | -1.8401 | |
| 372 | P | A | -1.3767 | |
| 373 | T | A | -1.3098 | |
| 374 | E | A | -2.1116 | |
| 375 | K | A | -2.5376 | |
| 376 | V | A | -1.4205 | |
| 377 | T | A | -1.6944 | |
| 378 | E | A | -2.5918 | |
| 379 | I | A | 0.0000 | |
| 380 | E | A | -2.0828 | |
| 381 | L | A | -1.3919 | |
| 382 | R | A | -1.4844 | |
| 383 | K | A | -2.1897 | |
| 384 | R | A | -1.9009 | |
| 385 | V | A | -1.1673 | |
| 386 | K | A | -2.0747 | |
| 387 | L | A | 0.0000 | |
| 388 | E | A | -3.2023 | |
| 389 | G | A | -3.1238 | |
| 390 | K | A | -3.6971 | |
| 391 | E | A | -3.7645 | |
| 392 | L | A | -3.0184 | |
| 393 | E | A | -4.1100 | |
| 394 | E | A | -4.1899 | |
| 395 | Y | A | -2.3287 | |
| 396 | V | A | -2.0916 | |
| 397 | E | A | -3.9198 | |
| 398 | K | A | -3.8589 | |
| 399 | E | A | -3.6381 | |
| 400 | K | A | -3.9318 | |
| 401 | L | A | -2.6107 | |
| 402 | K | A | -4.1919 | |
| 403 | K | A | -4.6704 | |
| 404 | E | A | -4.4068 | |
| 405 | A | A | -3.0259 | |
| 406 | A | A | -3.0608 | |
| 407 | K | A | -4.4020 | |
| 408 | K | A | -4.1792 | |
| 409 | L | A | -2.2561 | |
| 410 | E | A | -4.3078 | |
| 411 | Q | A | -4.0126 | |
| 412 | S | A | -3.2905 | |
| 413 | K | A | -4.0892 | |
| 414 | E | A | -3.9191 | |
| 415 | A | A | -2.7774 | |
| 416 | D | A | -3.0066 | |
| 417 | I | A | -1.2424 | |
| 418 | D | A | -2.9137 | |
| 419 | S | A | -2.2281 | |
| 420 | S | A | -2.0382 | |
| 421 | D | A | -3.3061 | |
| 422 | E | A | -3.3021 | |
| 423 | S | A | -2.1101 | |
| 424 | D | A | -2.3208 | |
| 425 | V | A | -0.8966 | |
| 426 | E | A | -2.5267 | |
| 427 | E | A | -3.0925 | |
| 428 | D | A | -2.5918 | |
| 429 | V | A | -0.8825 | |
| 430 | D | A | -2.1458 | |
| 431 | Q | A | -2.0627 | |
| 432 | P | A | -1.5229 | |
| 433 | S | A | -1.0326 | |
| 434 | A | A | -1.1022 | |
| 435 | H | A | -1.8931 | |
| 436 | K | A | -2.6994 | |
| 437 | T | A | -2.3950 | |
| 438 | K | A | -2.8646 | |
| 439 | H | A | -2.3665 | |
| 440 | D | A | -1.5226 | |
| 441 | L | A | 0.8072 | |
| 442 | M | A | 1.1654 | |
| 443 | M | A | 0.5563 | |
| 444 | K | A | -1.4127 | |
| 445 | G | A | -1.8542 | |
| 446 | E | A | -2.7924 | |
| 447 | G | A | -2.1294 | |
| 448 | S | A | -2.2216 | |
| 449 | R | A | -3.2131 | |
| 450 | K | A | -2.9729 | |
| 451 | G | A | -1.2222 | |
| 452 | S | A | 0.3523 | |
| 453 | F | A | 2.1161 | |
| 454 | F | A | 1.7153 | |
| 455 | K | A | -0.8826 | |
| 456 | Q | A | -2.0162 | |
| 457 | A | A | -2.1024 | |
| 458 | K | A | -2.6622 | |
| 459 | K | A | -2.4484 | |
| 460 | S | A | -0.7455 | |
| 461 | Y | A | 0.9275 | |
| 462 | P | A | 1.1167 | |
| 463 | M | A | 2.1611 | |
| 464 | F | A | 2.4049 | |
| 465 | P | A | 0.6133 | |
| 466 | A | A | -0.2241 | |
| 467 | P | A | -1.7376 | |
| 468 | E | A | -3.2806 | |
| 469 | E | A | -3.6869 | |
| 470 | R | A | -3.2606 | |
| 471 | I | A | -1.7070 | |
| 472 | K | A | -1.9174 | |
| 473 | W | A | -0.6996 | |
| 474 | D | A | -1.4071 | |
| 475 | E | A | -1.6571 | |
| 476 | Y | A | -0.2453 | |
| 477 | G | A | -1.1174 | |
| 478 | E | A | -1.7087 | |
| 479 | I | A | -0.4995 | |
| 480 | I | A | -0.8938 | |
| 481 | K | A | -1.7036 | |
| 482 | P | A | -1.2504 | |
| 483 | E | A | -1.9251 | |
| 484 | D | A | -1.5963 | |
| 485 | F | A | 1.0326 | |
| 486 | L | A | 0.9567 | |
| 487 | V | A | 0.9786 | |
| 488 | P | A | -0.3022 | |
| 489 | E | A | -1.4924 | |
| 490 | L | A | 0.3950 | |
| 491 | Q | A | -1.2147 | |
| 492 | A | A | -2.2130 | |
| 493 | T | A | -2.4400 | |
| 494 | E | A | -3.9664 | |
| 495 | E | A | -3.8349 | |
| 496 | E | A | -4.0564 | |
| 497 | K | A | -3.7148 | |
| 498 | S | A | -3.1962 | |
| 499 | K | A | -3.1743 | |
| 500 | L | A | -1.6431 | |
| 501 | E | A | -2.1100 | |
| 502 | S | A | -1.4440 | |
| 503 | G | A | -0.7405 | |
| 504 | L | A | 0.2731 | |
| 505 | T | A | -0.6738 | |
| 506 | N | A | -1.5604 | |
| 507 | G | A | -2.1406 | |
| 508 | E | A | -3.1353 | |
| 509 | E | A | -2.8792 | |
| 510 | P | A | -1.8512 | |
| 511 | M | A | -1.2304 | |
| 512 | D | A | -2.3878 | |
| 513 | Q | A | -2.5764 | |
| 514 | D | A | -2.3219 | |
| 515 | L | A | -0.6239 | |
| 516 | S | A | -0.9882 | |
| 517 | D | A | -1.9521 | |
| 518 | V | A | -0.7454 | |
| 519 | P | A | -0.6071 | |
| 520 | T | A | -1.3000 | |
| 521 | K | A | -1.7433 | |
| 522 | C | A | -1.3054 | |
| 523 | V | A | -0.1798 | |
| 524 | S | A | -0.7148 | |
| 525 | A | A | -0.8250 | |
| 526 | T | A | -1.7663 | |
| 527 | E | A | -2.5747 | |
| 528 | S | A | -1.9605 | |
| 529 | I | A | 0.0000 | |
| 530 | E | A | -2.6221 | |
| 531 | I | A | 0.0000 | |
| 532 | K | A | -2.9247 | |
| 533 | A | A | 0.0000 | |
| 534 | R | A | -1.5010 | |
| 535 | V | A | -0.2508 | |
| 536 | T | A | 0.0730 | |
| 537 | Y | A | 0.1954 | |
| 538 | I | A | 0.0000 | |
| 539 | D | A | 0.0000 | |
| 540 | Y | A | 0.0000 | |
| 541 | E | A | 0.0000 | |
| 542 | G | A | 0.0000 | |
| 543 | R | A | 0.0000 | |
| 544 | S | A | 0.0000 | |
| 545 | D | A | -0.3640 | |
| 546 | G | A | 0.0000 | |
| 547 | D | A | -2.0149 | |
| 548 | S | A | -1.6037 | |
| 549 | I | A | 0.0000 | |
| 550 | K | A | -1.8072 | |
| 551 | K | A | -2.5269 | |
| 552 | I | A | -1.9283 | |
| 553 | I | A | 0.0000 | |
| 554 | N | A | -1.9572 | |
| 555 | Q | A | -2.4724 | |
| 556 | M | A | 0.0000 | |
| 557 | K | A | -2.1344 | |
| 558 | P | A | 0.0000 | |
| 559 | R | A | -2.4992 | |
| 560 | Q | A | 0.0000 | |
| 561 | L | A | 0.0000 | |
| 562 | I | A | 0.0000 | |
| 563 | I | A | 0.0000 | |
| 564 | V | A | 0.0000 | |
| 565 | H | A | 0.0000 | |
| 566 | G | A | 0.0000 | |
| 567 | P | A | -1.3102 | |
| 568 | P | A | -1.8876 | |
| 569 | E | A | -2.5818 | |
| 570 | A | A | 0.0000 | |
| 571 | S | A | 0.0000 | |
| 572 | Q | A | -2.4030 | |
| 573 | D | A | -2.3927 | |
| 574 | L | A | 0.0000 | |
| 575 | A | A | 0.0000 | |
| 576 | E | A | -2.5418 | |
| 577 | C | A | -1.4769 | |
| 578 | C | A | 0.0000 | |
| 579 | R | A | -2.5972 | |
| 580 | A | A | -0.6795 | |
| 581 | F | A | 0.0349 | |
| 582 | G | A | -1.8386 | |
| 583 | G | A | -1.8619 | |
| 584 | K | A | -3.1072 | |
| 585 | D | A | -3.4559 | |
| 586 | I | A | -2.7446 | |
| 587 | K | A | -2.8727 | |
| 588 | V | A | 0.0000 | |
| 589 | Y | A | -0.5083 | |
| 590 | M | A | -0.2927 | |
| 591 | P | A | 0.0000 | |
| 592 | K | A | -1.9834 | |
| 593 | L | A | -0.8752 | |
| 594 | H | A | -1.5288 | |
| 595 | E | A | -1.9956 | |
| 596 | T | A | -1.3486 | |
| 597 | V | A | 0.0000 | |
| 598 | D | A | -1.6804 | |
| 599 | A | A | 0.0000 | |
| 600 | T | A | -0.9292 | |
| 601 | S | A | -1.1098 | |
| 602 | E | A | -1.1815 | |
| 603 | T | A | -0.7440 | |
| 604 | H | A | -0.7626 | |
| 605 | I | A | 0.5741 | |
| 606 | Y | A | 1.4259 | |
| 607 | Q | A | 0.6333 | |
| 608 | V | A | 0.6454 | |
| 609 | R | A | -1.2264 | |
| 610 | L | A | -0.2558 | |
| 611 | K | A | -1.4729 | |
| 612 | D | A | -1.9688 | |
| 613 | S | A | -0.9707 | |
| 614 | L | A | 0.0000 | |
| 615 | V | A | 0.3172 | |
| 616 | S | A | -0.5255 | |
| 617 | S | A | -0.1855 | |
| 618 | L | A | 0.5676 | |
| 619 | Q | A | -0.2138 | |
| 620 | F | A | 0.7056 | |
| 621 | C | A | -0.3595 | |
| 622 | K | A | -2.4905 | |
| 623 | A | A | 0.0000 | |
| 624 | K | A | -3.2708 | |
| 625 | D | A | -3.2835 | |
| 626 | A | A | -2.3277 | |
| 627 | E | A | -2.4061 | |
| 628 | L | A | 0.0952 | |
| 629 | A | A | 0.7479 | |
| 630 | W | A | 1.1302 | |
| 631 | I | A | 1.3190 | |
| 632 | D | A | 0.4704 | |
| 633 | G | A | 0.5351 | |
| 634 | V | A | 1.2640 | |
| 635 | L | A | 1.1504 | |
| 636 | D | A | 0.3737 | |
| 637 | M | A | 0.8155 | |
| 638 | R | A | -0.9739 | |
| 639 | V | A | 0.2771 | |
| 640 | S | A | -0.4278 | |
| 641 | K | A | -1.1850 | |
| 642 | V | A | 0.1028 | |
| 643 | D | A | -0.9564 | |
| 644 | T | A | 0.0280 | |
| 645 | G | A | 0.8463 | |
| 646 | V | A | 2.3996 | |
| 647 | I | A | 2.4700 | |
| 648 | L | A | 1.4857 | |
| 649 | E | A | -1.5462 | |
| 650 | E | A | -2.3976 | |
| 651 | G | A | -2.3635 | |
| 652 | E | A | -2.7350 | |
| 653 | L | A | -1.2043 | |
| 654 | K | A | -2.9659 | |
| 655 | D | A | -3.6435 | |
| 656 | D | A | -3.5960 | |
| 657 | G | A | -3.3004 | |
| 658 | E | A | -3.5842 | |
| 659 | D | A | -3.2810 | |
| 660 | S | A | -2.2863 | |
| 661 | E | A | -2.0211 | |
| 662 | M | A | -0.1689 | |
| 663 | Q | A | -0.5238 | |
| 664 | V | A | 0.5375 | |
| 665 | D | A | -1.1830 | |
| 666 | A | A | -0.6584 | |
| 667 | P | A | -1.0940 | |
| 668 | S | A | -1.2468 | |
| 669 | D | A | -2.0976 | |
| 670 | S | A | -1.0135 | |
| 671 | S | A | -0.6252 | |
| 672 | A | A | -0.2384 | |
| 673 | M | A | -0.0355 | |
| 674 | A | A | -0.8286 | |
| 675 | Q | A | -1.8641 | |
| 676 | Q | A | -2.1541 | |
| 677 | K | A | -2.3925 | |
| 678 | A | A | -1.1086 | |
| 679 | M | A | -0.1294 | |
| 680 | K | A | -1.2818 | |
| 681 | S | A | -0.2532 | |
| 682 | L | A | 1.6269 | |
| 683 | F | A | 1.4612 | |
| 684 | G | A | -0.9114 | |
| 685 | E | A | -3.0782 | |
| 686 | D | A | -4.3060 | |
| 687 | E | A | -4.3397 | |
| 688 | K | A | -3.9234 | |
| 689 | E | A | -3.2054 | |
| 690 | L | A | -1.0879 | |
| 691 | G | A | -2.0358 | |
| 692 | E | A | -3.1391 | |
| 693 | E | A | -3.0568 | |
| 694 | T | A | -2.2495 | |
| 695 | E | A | -2.1206 | |
| 696 | I | A | -0.2126 | |
| 697 | I | A | 0.4461 | |
| 698 | P | A | 0.0000 | |
| 699 | T | A | 0.1558 | |
| 700 | L | A | 0.3984 | |
| 701 | E | A | -0.4717 | |
| 702 | P | A | -0.0845 | |
| 703 | L | A | -0.0470 | |
| 704 | P | A | -0.7334 | |
| 705 | P | A | -0.9507 | |
| 706 | H | A | -1.6731 | |
| 707 | E | A | -1.9660 | |
| 708 | V | A | -0.3280 | |
| 709 | P | A | -0.8267 | |
| 710 | G | A | -0.9389 | |
| 711 | H | A | -0.8563 | |
| 712 | Q | A | -1.2403 | |
| 713 | S | A | -0.0775 | |
| 714 | V | A | 0.9878 | |
| 715 | F | A | 1.3066 | |
| 716 | M | A | 0.2136 | |
| 717 | N | A | -1.2873 | |
| 718 | E | A | -2.5635 | |
| 719 | P | A | 0.0000 | |
| 720 | R | A | -3.1509 | |
| 721 | L | A | -2.0377 | |
| 722 | S | A | -2.0869 | |
| 723 | D | A | -2.9758 | |
| 724 | F | A | 0.0000 | |
| 725 | K | A | -2.3643 | |
| 726 | Q | A | -2.4213 | |
| 727 | V | A | -1.6207 | |
| 728 | L | A | 0.0000 | |
| 729 | L | A | -1.6037 | |
| 730 | R | A | -2.5246 | |
| 731 | E | A | -2.2943 | |
| 732 | G | A | -1.6781 | |
| 733 | I | A | 0.0000 | |
| 734 | Q | A | -2.3353 | |
| 735 | A | A | 0.0000 | |
| 736 | E | A | -1.3431 | |
| 737 | F | A | 0.7924 | |
| 738 | V | A | 1.6424 | |
| 739 | G | A | 0.2769 | |
| 740 | G | A | -0.1106 | |
| 741 | V | A | 0.2012 | |
| 742 | L | A | 0.0000 | |
| 743 | V | A | -0.8407 | |
| 744 | C | A | 0.0000 | |
| 745 | N | A | -2.0099 | |
| 746 | N | A | -2.3037 | |
| 747 | Q | A | -1.6339 | |
| 748 | V | A | 0.0000 | |
| 749 | A | A | -0.9204 | |
| 750 | V | A | 0.0000 | |
| 751 | R | A | -1.9147 | |
| 752 | R | A | -2.4728 | |
| 753 | T | A | -2.2050 | |
| 754 | E | A | -2.5760 | |
| 755 | T | A | -1.7743 | |
| 756 | G | A | -2.4213 | |
| 757 | R | A | -2.9816 | |
| 758 | I | A | 0.0000 | |
| 759 | G | A | -1.4627 | |
| 760 | L | A | -1.0950 | |
| 761 | E | A | -1.8294 | |
| 762 | G | A | -0.7098 | |
| 763 | C | A | 0.6134 | |
| 764 | L | A | 1.4155 | |
| 765 | C | A | 0.2720 | |
| 766 | Q | A | -0.9906 | |
| 767 | D | A | -1.1670 | |
| 768 | F | A | -0.5916 | |
| 769 | Y | A | -0.4275 | |
| 770 | R | A | -1.9404 | |
| 771 | I | A | 0.0000 | |
| 772 | R | A | -1.6825 | |
| 773 | D | A | -1.9506 | |
| 774 | L | A | 0.0000 | |
| 775 | L | A | 0.0000 | |
| 776 | Y | A | -0.4473 | |
| 777 | E | A | -1.7372 | |
| 778 | Q | A | -1.4200 | |
| 779 | Y | A | -0.3437 | |
| 780 | A | A | 0.0000 | |
| 781 | I | A | 1.0321 | |
| 782 | V | A | 0.8374 |
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 | -0.7558 | 6.7534 | View | CSV | PDB |
| 4.5 | -0.8645 | 6.7534 | View | CSV | PDB |
| 5.0 | -1.0025 | 6.7534 | View | CSV | PDB |
| 5.5 | -1.1446 | 6.7534 | View | CSV | PDB |
| 6.0 | -1.2637 | 6.7534 | View | CSV | PDB |
| 6.5 | -1.3388 | 6.7534 | View | CSV | PDB |
| 7.0 | -1.3663 | 6.7534 | View | CSV | PDB |
| 7.5 | -1.3598 | 6.7533 | View | CSV | PDB |
| 8.0 | -1.3344 | 6.7533 | View | CSV | PDB |
| 8.5 | -1.2962 | 6.753 | View | CSV | PDB |
| 9.0 | -1.2444 | 6.7521 | 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