| Chain sequence(s) |
A: SPVAGQKYDYILVGGGTAACVLANRLSADGSKRVLVLEAGPDNTSRDVKIPAAITRLFRSPLDWNLFSELQEQLAERQIYMARGRLLGGSSATNATLYHRGAAGDYDAWGVEGWSSEDVLSWFVQAETNADFGPGAYHGSGGPMRVENPRYTNKQLHTAFFKAAEEVGLTPNSDFNDWSHDHAGYGTFQVMQDKGTRADMYRQYLKPVLGRRNLQVLTGAAVTKVNIDQAAGKAQALGVEFSTDGPTGERLSAELAPGGEVIMCAGAVHTPFLLKHSGVGPSAELKEFGIPVVSNLAGVGGGGGSGGGGSGGGGSGLRDRARVRLEAEGFSELSGTQVILRPTLEDVFGEEAEKVVEWLKSKLADYAAAIVKLSGGELSEADVLAELTQRFDLIVTRKQPVAEILFRPGGGKRLVVDFYVLYPFSRGGVRLSSADPFAPPAIDPRFFFFEYDGRMMAGVFKFVRKLLNSKPLNELIARITKPGDDVIPEDADLKTIEDWIKENMESAFHAVGDGGGGSGGGGSGGGGSGTCKMGNAGDSSSVVDNQLRVHGVEGLRVVDASVVPKIPGGHTGAPVVMIAERAAALLTGK
input PDB |
| Selected Chain(s) | A |
| Distance of aggregation | 10 Å |
| FoldX usage | Yes |
| pH calculations | Yes |
| alphaCutter usage | No |
| 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 globular. Max score is recommended for pH analysis. (00:00:04)
[INFO] FoldX: Starting FoldX energy minimization (00:00:05)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:10:06)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/76f2a7250208d39/tmp/folded.pdb (00:10:06)
[INFO] Main: Simulation completed successfully. (00:15:54)
|
The table below lists A4D score for protein residues. Residues with A4D score > 0.0000 are marked by yellow rows.
| residue index | residue name | chain | Aggrescan4D score | mutation |
|---|---|---|---|---|
| 1 | S | A | -0.6540 | |
| 2 | P | A | -0.3093 | |
| 3 | V | A | 0.0000 | |
| 4 | A | A | -0.7252 | |
| 5 | G | A | -1.0886 | |
| 6 | Q | A | -1.4492 | |
| 7 | K | A | -2.1335 | |
| 8 | Y | A | 0.0000 | |
| 9 | D | A | -1.5325 | |
| 10 | Y | A | 0.0000 | |
| 11 | I | A | 0.0000 | |
| 12 | L | A | 0.0000 | |
| 13 | V | A | 0.0000 | |
| 14 | G | A | -0.1140 | |
| 15 | G | A | 0.0000 | |
| 16 | G | A | -0.2017 | |
| 17 | T | A | -0.0915 | |
| 18 | A | A | 0.0000 | |
| 19 | A | A | 0.0000 | |
| 20 | C | A | 0.0000 | |
| 21 | V | A | 0.0000 | |
| 22 | L | A | 0.0000 | |
| 23 | A | A | 0.0000 | |
| 24 | N | A | -0.7353 | |
| 25 | R | A | -0.8012 | |
| 26 | L | A | 0.0000 | |
| 27 | S | A | 0.0000 | |
| 28 | A | A | -1.2043 | |
| 29 | D | A | -2.0958 | |
| 30 | G | A | -1.6822 | |
| 31 | S | A | -1.1547 | |
| 32 | K | A | -1.2001 | |
| 33 | R | A | -1.5236 | |
| 34 | V | A | 0.0000 | |
| 35 | L | A | 0.0000 | |
| 36 | V | A | 0.0000 | |
| 37 | L | A | 0.0000 | |
| 38 | E | A | 0.0000 | |
| 39 | A | A | -0.4502 | |
| 40 | G | A | 0.0000 | |
| 41 | P | A | -0.7186 | |
| 42 | D | A | -0.9820 | |
| 43 | N | A | 0.0000 | |
| 44 | T | A | -0.9657 | |
| 45 | S | A | -1.3088 | |
| 46 | R | A | -2.1791 | |
| 47 | D | A | -1.6747 | |
| 48 | V | A | 0.0000 | |
| 49 | K | A | -1.3003 | |
| 50 | I | A | -0.3179 | |
| 51 | P | A | -0.1794 | |
| 52 | A | A | -0.1218 | |
| 53 | A | A | -0.7383 | |
| 54 | I | A | -0.3547 | |
| 55 | T | A | -0.9294 | |
| 56 | R | A | -1.9957 | |
| 57 | L | A | 0.0000 | |
| 58 | F | A | -0.9782 | |
| 59 | R | A | -2.1255 | |
| 60 | S | A | -1.3563 | |
| 61 | P | A | -0.6603 | |
| 62 | L | A | -0.8049 | |
| 63 | D | A | 0.0000 | |
| 64 | W | A | -0.4009 | |
| 65 | N | A | -0.9559 | |
| 66 | L | A | 0.0000 | |
| 67 | F | A | 0.3841 | |
| 68 | S | A | 0.0000 | |
| 69 | E | A | -1.4700 | |
| 70 | L | A | -1.4762 | |
| 71 | Q | A | 0.0000 | |
| 72 | E | A | -2.8238 | |
| 73 | Q | A | -1.7378 | |
| 74 | L | A | 0.0000 | |
| 75 | A | A | -2.3687 | |
| 76 | E | A | -3.3042 | |
| 77 | R | A | -2.5610 | |
| 78 | Q | A | -1.8751 | |
| 79 | I | A | 0.0000 | |
| 80 | Y | A | 0.0000 | |
| 81 | M | A | 0.0000 | |
| 82 | A | A | 0.0000 | |
| 83 | R | A | -0.5426 | |
| 84 | G | A | -0.6008 | |
| 85 | R | A | -0.7637 | |
| 86 | L | A | 0.0000 | |
| 87 | L | A | 0.0000 | |
| 88 | G | A | 0.0000 | |
| 89 | G | A | 0.0000 | |
| 90 | S | A | -0.3408 | |
| 91 | S | A | 0.0000 | |
| 92 | A | A | 0.0000 | |
| 93 | T | A | 0.0000 | |
| 94 | N | A | -0.2182 | |
| 95 | A | A | -0.0623 | |
| 96 | T | A | 0.0000 | |
| 97 | L | A | 0.0000 | |
| 98 | Y | A | 0.0000 | |
| 99 | H | A | 0.0000 | |
| 100 | R | A | 0.0000 | |
| 101 | G | A | 0.0000 | |
| 102 | A | A | 0.0000 | |
| 103 | A | A | -0.7965 | |
| 104 | G | A | -0.7225 | |
| 105 | D | A | 0.0000 | |
| 106 | Y | A | 0.0000 | |
| 107 | D | A | -1.5879 | |
| 108 | A | A | -0.7992 | |
| 109 | W | A | 0.0000 | |
| 110 | G | A | -1.3985 | |
| 111 | V | A | 0.0000 | |
| 112 | E | A | -2.4728 | |
| 113 | G | A | -1.7760 | |
| 114 | W | A | 0.0000 | |
| 115 | S | A | -1.7873 | |
| 116 | S | A | -1.4369 | |
| 117 | E | A | -2.3433 | |
| 118 | D | A | -2.0491 | |
| 119 | V | A | 0.0000 | |
| 120 | L | A | -0.6425 | |
| 121 | S | A | -0.6784 | |
| 122 | W | A | -0.4507 | |
| 123 | F | A | 0.0000 | |
| 124 | V | A | -0.2951 | |
| 125 | Q | A | -1.0038 | |
| 126 | A | A | 0.0000 | |
| 127 | E | A | 0.0000 | |
| 128 | T | A | -0.9060 | |
| 129 | N | A | 0.0000 | |
| 130 | A | A | -1.0794 | |
| 131 | D | A | -1.1084 | |
| 132 | F | A | -0.4532 | |
| 133 | G | A | -0.7375 | |
| 134 | P | A | -0.7375 | |
| 135 | G | A | -0.5228 | |
| 136 | A | A | -0.1787 | |
| 137 | Y | A | 0.0336 | |
| 138 | H | A | 0.0000 | |
| 139 | G | A | 0.0000 | |
| 140 | S | A | -0.8325 | |
| 141 | G | A | -0.8514 | |
| 142 | G | A | 0.0000 | |
| 143 | P | A | -0.6284 | |
| 144 | M | A | 0.0000 | |
| 145 | R | A | -1.4803 | |
| 146 | V | A | 0.0000 | |
| 147 | E | A | 0.0000 | |
| 148 | N | A | -1.3752 | |
| 149 | P | A | -1.2650 | |
| 150 | R | A | -1.9306 | |
| 151 | Y | A | -0.6629 | |
| 152 | T | A | -1.1284 | |
| 153 | N | A | -1.5594 | |
| 154 | K | A | -2.4828 | |
| 155 | Q | A | -2.2096 | |
| 156 | L | A | 0.0000 | |
| 157 | H | A | -1.4356 | |
| 158 | T | A | -1.2032 | |
| 159 | A | A | 0.0000 | |
| 160 | F | A | 0.0000 | |
| 161 | F | A | -0.9872 | |
| 162 | K | A | -2.3411 | |
| 163 | A | A | 0.0000 | |
| 164 | A | A | 0.0000 | |
| 165 | E | A | -3.1316 | |
| 166 | E | A | -3.2280 | |
| 167 | V | A | -1.9506 | |
| 168 | G | A | -1.8471 | |
| 169 | L | A | 0.0000 | |
| 170 | T | A | -0.8802 | |
| 171 | P | A | -0.6317 | |
| 172 | N | A | 0.0000 | |
| 173 | S | A | -0.3945 | |
| 174 | D | A | 0.0000 | |
| 175 | F | A | 0.0000 | |
| 176 | N | A | 0.0000 | |
| 177 | D | A | -0.6860 | |
| 178 | W | A | -0.6106 | |
| 179 | S | A | -0.8454 | |
| 180 | H | A | -1.5774 | |
| 181 | D | A | -2.4920 | |
| 182 | H | A | 0.0000 | |
| 183 | A | A | -0.8906 | |
| 184 | G | A | 0.0000 | |
| 185 | Y | A | 0.0000 | |
| 186 | G | A | 0.0000 | |
| 187 | T | A | -0.2015 | |
| 188 | F | A | 0.0000 | |
| 189 | Q | A | 0.0000 | |
| 190 | V | A | 0.0000 | |
| 191 | M | A | 0.0000 | |
| 192 | Q | A | 0.0000 | |
| 193 | D | A | -2.6455 | |
| 194 | K | A | -2.8649 | |
| 195 | G | A | -1.8107 | |
| 196 | T | A | -1.3496 | |
| 197 | R | A | 0.0000 | |
| 198 | A | A | 0.0000 | |
| 199 | D | A | 0.0000 | |
| 200 | M | A | 0.0000 | |
| 201 | Y | A | 0.0000 | |
| 202 | R | A | -1.1825 | |
| 203 | Q | A | -1.0312 | |
| 204 | Y | A | 0.0000 | |
| 205 | L | A | 0.0000 | |
| 206 | K | A | -1.5295 | |
| 207 | P | A | -1.0113 | |
| 208 | V | A | 0.0000 | |
| 209 | L | A | -0.5278 | |
| 210 | G | A | -1.1311 | |
| 211 | R | A | -1.7244 | |
| 212 | R | A | -2.2325 | |
| 213 | N | A | 0.0000 | |
| 214 | L | A | 0.0000 | |
| 215 | Q | A | -0.4215 | |
| 216 | V | A | 0.3804 | |
| 217 | L | A | 0.1097 | |
| 218 | T | A | -0.2365 | |
| 219 | G | A | -0.7822 | |
| 220 | A | A | 0.0000 | |
| 221 | A | A | -0.4571 | |
| 222 | V | A | -0.1806 | |
| 223 | T | A | 0.0000 | |
| 224 | K | A | -0.5745 | |
| 225 | V | A | 0.0000 | |
| 226 | N | A | -0.5314 | |
| 227 | I | A | -0.7536 | |
| 228 | D | A | -1.5493 | |
| 229 | Q | A | -1.8500 | |
| 230 | A | A | -1.0450 | |
| 231 | A | A | -1.1448 | |
| 232 | G | A | -1.6528 | |
| 233 | K | A | -2.7833 | |
| 234 | A | A | 0.0000 | |
| 235 | Q | A | -1.9953 | |
| 236 | A | A | 0.0000 | |
| 237 | L | A | -0.2937 | |
| 238 | G | A | 0.0000 | |
| 239 | V | A | 0.0000 | |
| 240 | E | A | -1.0838 | |
| 241 | F | A | 0.0000 | |
| 242 | S | A | 0.0000 | |
| 243 | T | A | -1.5064 | |
| 244 | D | A | -2.4995 | |
| 245 | G | A | -1.4892 | |
| 246 | P | A | -1.2250 | |
| 247 | T | A | -1.1772 | |
| 248 | G | A | -2.0663 | |
| 249 | E | A | -2.7822 | |
| 250 | R | A | -2.1846 | |
| 251 | L | A | -1.1916 | |
| 252 | S | A | -1.0700 | |
| 253 | A | A | 0.0000 | |
| 254 | E | A | -1.9967 | |
| 255 | L | A | 0.0000 | |
| 256 | A | A | -1.2677 | |
| 257 | P | A | -0.8500 | |
| 258 | G | A | -0.8954 | |
| 259 | G | A | 0.0000 | |
| 260 | E | A | -1.1326 | |
| 261 | V | A | 0.0000 | |
| 262 | I | A | 0.0000 | |
| 263 | M | A | 0.0000 | |
| 264 | C | A | 0.0000 | |
| 265 | A | A | -0.1421 | |
| 266 | G | A | -0.1780 | |
| 267 | A | A | 0.0000 | |
| 268 | V | A | 0.0000 | |
| 269 | H | A | -0.2375 | |
| 270 | T | A | 0.0000 | |
| 271 | P | A | 0.0000 | |
| 272 | F | A | 0.0000 | |
| 273 | L | A | 0.0000 | |
| 274 | L | A | 0.0000 | |
| 275 | K | A | 0.0000 | |
| 276 | H | A | 0.0000 | |
| 277 | S | A | 0.0000 | |
| 278 | G | A | 0.0000 | |
| 279 | V | A | 0.0000 | |
| 280 | G | A | 0.0000 | |
| 281 | P | A | 0.0000 | |
| 282 | S | A | -1.0278 | |
| 283 | A | A | -1.3197 | |
| 284 | E | A | -1.4348 | |
| 285 | L | A | 0.0000 | |
| 286 | K | A | -2.5675 | |
| 287 | E | A | -2.6674 | |
| 288 | F | A | -1.4823 | |
| 289 | G | A | -1.3840 | |
| 290 | I | A | -0.6910 | |
| 291 | P | A | -0.2017 | |
| 292 | V | A | 0.0387 | |
| 293 | V | A | -0.2536 | |
| 294 | S | A | 0.0000 | |
| 295 | N | A | -1.0764 | |
| 296 | L | A | -0.5109 | |
| 297 | A | A | -0.6838 | |
| 298 | G | A | 0.0000 | |
| 299 | V | A | 0.0000 | |
| 300 | G | A | 0.0000 | |
| 301 | G | A | 0.0000 | |
| 302 | G | A | -0.6138 | |
| 303 | G | A | -1.2490 | |
| 304 | G | A | -1.4632 | |
| 305 | S | A | -1.3165 | |
| 306 | G | A | -1.3640 | |
| 307 | G | A | -1.2671 | |
| 308 | G | A | -1.2076 | |
| 309 | G | A | -1.2064 | |
| 310 | S | A | -0.9814 | |
| 311 | G | A | -1.0886 | |
| 312 | G | A | -1.4090 | |
| 313 | G | A | 0.0000 | |
| 314 | G | A | 0.0000 | |
| 315 | S | A | 0.0000 | |
| 316 | G | A | 0.0000 | |
| 317 | L | A | 0.0000 | |
| 318 | R | A | 0.0000 | |
| 319 | D | A | 0.0000 | |
| 320 | R | A | 0.0000 | |
| 321 | A | A | -0.2590 | |
| 322 | R | A | -0.5456 | |
| 323 | V | A | 0.0000 | |
| 324 | R | A | -1.2428 | |
| 325 | L | A | 0.0000 | |
| 326 | E | A | -1.4490 | |
| 327 | A | A | 0.0000 | |
| 328 | E | A | -2.2788 | |
| 329 | G | A | 0.0000 | |
| 330 | F | A | 0.3055 | |
| 331 | S | A | -0.7272 | |
| 332 | E | A | -2.5419 | |
| 333 | L | A | 0.0000 | |
| 334 | S | A | -1.6504 | |
| 335 | G | A | -1.0331 | |
| 336 | T | A | 0.0000 | |
| 337 | Q | A | -0.5242 | |
| 338 | V | A | 0.0000 | |
| 339 | I | A | 0.0000 | |
| 340 | L | A | 0.0000 | |
| 341 | R | A | 0.0000 | |
| 342 | P | A | 0.0000 | |
| 343 | T | A | -0.6759 | |
| 344 | L | A | 0.0000 | |
| 345 | E | A | -2.1244 | |
| 346 | D | A | -1.2105 | |
| 347 | V | A | -0.8434 | |
| 348 | F | A | -1.8047 | |
| 349 | G | A | -2.2398 | |
| 350 | E | A | -3.4364 | |
| 351 | E | A | -3.4877 | |
| 352 | A | A | 0.0000 | |
| 353 | E | A | -3.9186 | |
| 354 | K | A | -3.9335 | |
| 355 | V | A | 0.0000 | |
| 356 | V | A | -2.4567 | |
| 357 | E | A | -3.3424 | |
| 358 | W | A | -2.0300 | |
| 359 | L | A | 0.0000 | |
| 360 | K | A | -2.5612 | |
| 361 | S | A | -1.8606 | |
| 362 | K | A | -2.0524 | |
| 363 | L | A | 0.0000 | |
| 364 | A | A | -1.3563 | |
| 365 | D | A | -1.8359 | |
| 366 | Y | A | 0.0000 | |
| 367 | A | A | 0.0000 | |
| 368 | A | A | -1.3703 | |
| 369 | A | A | -1.0934 | |
| 370 | I | A | 0.0000 | |
| 371 | V | A | -1.8866 | |
| 372 | K | A | -2.3303 | |
| 373 | L | A | -1.1952 | |
| 374 | S | A | 0.0000 | |
| 375 | G | A | -2.0157 | |
| 376 | G | A | -2.3597 | |
| 377 | E | A | -2.8147 | |
| 378 | L | A | 0.0000 | |
| 379 | S | A | -1.6228 | |
| 380 | E | A | -2.2216 | |
| 381 | A | A | -0.8627 | |
| 382 | D | A | -0.9742 | |
| 383 | V | A | 0.0000 | |
| 384 | L | A | -0.3792 | |
| 385 | A | A | -0.3547 | |
| 386 | E | A | 0.0000 | |
| 387 | L | A | 0.0000 | |
| 388 | T | A | -0.6186 | |
| 389 | Q | A | -0.7595 | |
| 390 | R | A | 0.0000 | |
| 391 | F | A | 0.0000 | |
| 392 | D | A | -1.4308 | |
| 393 | L | A | 0.0000 | |
| 394 | I | A | 0.0000 | |
| 395 | V | A | -1.3354 | |
| 396 | T | A | -1.4144 | |
| 397 | R | A | -2.6092 | |
| 398 | K | A | -2.2568 | |
| 399 | Q | A | 0.0000 | |
| 400 | P | A | 0.0000 | |
| 401 | V | A | 0.0000 | |
| 402 | A | A | 0.0000 | |
| 403 | E | A | 0.0000 | |
| 404 | I | A | 0.0000 | |
| 405 | L | A | 0.0000 | |
| 406 | F | A | 0.0000 | |
| 407 | R | A | -1.1944 | |
| 408 | P | A | -1.5376 | |
| 409 | G | A | -1.6252 | |
| 410 | G | A | -1.7399 | |
| 411 | G | A | -2.2436 | |
| 412 | K | A | -2.7016 | |
| 413 | R | A | -2.5744 | |
| 414 | L | A | 0.0000 | |
| 415 | V | A | 0.0000 | |
| 416 | V | A | 0.0000 | |
| 417 | D | A | 0.0000 | |
| 418 | F | A | 0.0000 | |
| 419 | Y | A | 0.0000 | |
| 420 | V | A | 0.0000 | |
| 421 | L | A | 0.0000 | |
| 422 | Y | A | 0.0000 | |
| 423 | P | A | 0.0000 | |
| 424 | F | A | 0.0000 | |
| 425 | S | A | 0.0000 | |
| 426 | R | A | 0.0000 | |
| 427 | G | A | 0.0000 | |
| 428 | G | A | 0.0000 | |
| 429 | V | A | 0.0000 | |
| 430 | R | A | -0.5575 | |
| 431 | L | A | 0.0000 | |
| 432 | S | A | -0.4538 | |
| 433 | S | A | -0.7234 | |
| 434 | A | A | -0.7035 | |
| 435 | D | A | -1.1158 | |
| 436 | P | A | -0.5667 | |
| 437 | F | A | -0.1240 | |
| 438 | A | A | -0.3676 | |
| 439 | P | A | -0.2943 | |
| 440 | P | A | 0.0000 | |
| 441 | A | A | -0.3858 | |
| 442 | I | A | 0.0000 | |
| 443 | D | A | 0.0000 | |
| 444 | P | A | 0.0000 | |
| 445 | R | A | -0.2895 | |
| 446 | F | A | 0.0000 | |
| 447 | F | A | 0.0000 | |
| 448 | F | A | 0.0565 | |
| 449 | F | A | 0.0000 | |
| 450 | E | A | -1.8364 | |
| 451 | Y | A | 0.0000 | |
| 452 | D | A | 0.0000 | |
| 453 | G | A | 0.0000 | |
| 454 | R | A | -1.2049 | |
| 455 | M | A | 0.0000 | |
| 456 | M | A | 0.0000 | |
| 457 | A | A | 0.0000 | |
| 458 | G | A | 0.0000 | |
| 459 | V | A | 0.0000 | |
| 460 | F | A | 0.0000 | |
| 461 | K | A | -1.8211 | |
| 462 | F | A | 0.0000 | |
| 463 | V | A | 0.0000 | |
| 464 | R | A | 0.0000 | |
| 465 | K | A | -2.5310 | |
| 466 | L | A | 0.0000 | |
| 467 | L | A | 0.0000 | |
| 468 | N | A | -2.9745 | |
| 469 | S | A | -2.9143 | |
| 470 | K | A | -3.2699 | |
| 471 | P | A | 0.0000 | |
| 472 | L | A | 0.0000 | |
| 473 | N | A | -3.0732 | |
| 474 | E | A | -2.6382 | |
| 475 | L | A | 0.0000 | |
| 476 | I | A | 0.0000 | |
| 477 | A | A | -1.0145 | |
| 478 | R | A | -2.0074 | |
| 479 | I | A | -1.5932 | |
| 480 | T | A | -1.3818 | |
| 481 | K | A | -1.3727 | |
| 482 | P | A | 0.0000 | |
| 483 | G | A | 0.0000 | |
| 484 | D | A | -2.7817 | |
| 485 | D | A | -2.0147 | |
| 486 | V | A | 0.0847 | |
| 487 | I | A | 0.0000 | |
| 488 | P | A | -2.4658 | |
| 489 | E | A | -3.7007 | |
| 490 | D | A | -3.3742 | |
| 491 | A | A | 0.0000 | |
| 492 | D | A | -3.0132 | |
| 493 | L | A | -2.0427 | |
| 494 | K | A | -2.6005 | |
| 495 | T | A | -1.5937 | |
| 496 | I | A | 0.0000 | |
| 497 | E | A | -2.2421 | |
| 498 | D | A | -2.2574 | |
| 499 | W | A | -1.3211 | |
| 500 | I | A | 0.0000 | |
| 501 | K | A | -2.0252 | |
| 502 | E | A | -2.7627 | |
| 503 | N | A | -1.7475 | |
| 504 | M | A | 0.0000 | |
| 505 | E | A | -1.0320 | |
| 506 | S | A | 0.0000 | |
| 507 | A | A | 0.0000 | |
| 508 | F | A | 0.1102 | |
| 509 | H | A | 0.0000 | |
| 510 | A | A | 0.0000 | |
| 511 | V | A | 0.0000 | |
| 512 | G | A | 0.0000 | |
| 513 | D | A | 0.0000 | |
| 514 | G | A | 0.0000 | |
| 515 | G | A | 0.0000 | |
| 516 | G | A | -0.7332 | |
| 517 | G | A | -0.8709 | |
| 518 | S | A | -0.9579 | |
| 519 | G | A | -1.1896 | |
| 520 | G | A | -1.2322 | |
| 521 | G | A | -1.2368 | |
| 522 | G | A | -1.2086 | |
| 523 | S | A | -0.9392 | |
| 524 | G | A | -1.4388 | |
| 525 | G | A | -1.3629 | |
| 526 | G | A | 0.0000 | |
| 527 | G | A | 0.0000 | |
| 528 | S | A | 0.0000 | |
| 529 | G | A | 0.0000 | |
| 530 | T | A | 0.0000 | |
| 531 | C | A | 0.0000 | |
| 532 | K | A | 0.0000 | |
| 533 | M | A | 0.0000 | |
| 534 | G | A | 0.0000 | |
| 535 | N | A | -1.5169 | |
| 536 | A | A | -0.8819 | |
| 537 | G | A | -1.1999 | |
| 538 | D | A | -1.0683 | |
| 539 | S | A | -0.9517 | |
| 540 | S | A | 0.0000 | |
| 541 | S | A | 0.0000 | |
| 542 | V | A | 0.0000 | |
| 543 | V | A | 0.0000 | |
| 544 | D | A | -1.5534 | |
| 545 | N | A | -1.5686 | |
| 546 | Q | A | -1.4849 | |
| 547 | L | A | 0.0000 | |
| 548 | R | A | -2.5926 | |
| 549 | V | A | 0.0000 | |
| 550 | H | A | -1.4807 | |
| 551 | G | A | -1.7652 | |
| 552 | V | A | 0.0000 | |
| 553 | E | A | -2.8874 | |
| 554 | G | A | -1.4688 | |
| 555 | L | A | 0.0000 | |
| 556 | R | A | -1.3702 | |
| 557 | V | A | 0.0000 | |
| 558 | V | A | 0.0000 | |
| 559 | D | A | 0.0000 | |
| 560 | A | A | -0.0391 | |
| 561 | S | A | 0.0000 | |
| 562 | V | A | 0.0000 | |
| 563 | V | A | 0.0000 | |
| 564 | P | A | 0.0000 | |
| 565 | K | A | 0.0000 | |
| 566 | I | A | 0.0000 | |
| 567 | P | A | 0.0000 | |
| 568 | G | A | 0.0000 | |
| 569 | G | A | 0.0000 | |
| 570 | H | A | 0.0000 | |
| 571 | T | A | -0.0155 | |
| 572 | G | A | -0.1507 | |
| 573 | A | A | 0.0000 | |
| 574 | P | A | 0.0000 | |
| 575 | V | A | 0.0000 | |
| 576 | V | A | 0.0000 | |
| 577 | M | A | 0.0000 | |
| 578 | I | A | 0.0000 | |
| 579 | A | A | 0.0000 | |
| 580 | E | A | 0.0000 | |
| 581 | R | A | -0.4966 | |
| 582 | A | A | 0.0000 | |
| 583 | A | A | 0.0000 | |
| 584 | A | A | 0.0000 | |
| 585 | L | A | -0.2239 | |
| 586 | L | A | -0.2247 | |
| 587 | T | A | -0.8495 | |
| 588 | G | A | -1.0836 | |
| 589 | K | A | -1.8051 |
Calculations for various pH values
This page contains details and comparisons for all models calculated at different pH points.
Please find suggestions on interpreting the results below. More details can be found in the Tutorial.
The input structure is globular. Max score is recommended for pH analysis.
pH |
Average A4D Score |
Max A4D Score |
|||
| 4.0 | -0.4747 | 2.5418 | View | CSV | PDB |
| 4.5 | -0.531 | 2.4128 | View | CSV | PDB |
| 5.0 | -0.601 | 2.2228 | View | CSV | PDB |
| 5.5 | -0.6737 | 2.1083 | View | CSV | PDB |
| 6.0 | -0.7367 | 2.0601 | View | CSV | PDB |
| 6.5 | -0.7799 | 2.0236 | View | CSV | PDB |
| 7.0 | -0.7997 | 1.9866 | View | CSV | PDB |
| 7.5 | -0.8011 | 1.9705 | View | CSV | PDB |
| 8.0 | -0.791 | 1.9964 | View | CSV | PDB |
| 8.5 | -0.7726 | 2.1044 | View | CSV | PDB |
| 9.0 | -0.7465 | 2.2115 | 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