| Chain sequence(s) |
A: SPVAGQKYDYILVGGGTAACVLANRLSADGSKRVLVLEAGPDNTSRDVKIPAAITRLFRSPLDWNLFSELQEQLAERQIYMARGRLLGGSSATNATLYHRGAAGDYDAWGVEGWSSEDVLSWFVQAETNADFGPGAYHGSGGPMRVENPRYTNKQLHTAFFKAAEEVGLTPNSDFNDWSHDHAGYGTFQVMQDKGTRADMYRQYLKPVLGRRNLQVLTGAAVTKVNIDQAAGKAQALGVEFSTDGPTGERLSAELAPGGEVIMCAGAVHTPFLLKHSGVGPSAELKEFGIPVVSNLAGVGGGGGSGGGGSGGGGSGLHDRARNTLQAKGKGELSGTEVILRPTLEDVFGEETEAVVAKMRAELEGYAAALVGWSGGELAEADLLAELTQRFNLIVDQRLPVAEILFRPGGGNLLEVDFYPLYPFSLGGVRLSSADPFAPPAIRPNFFAFRYDGEISAGIFKFIEKILNSKPLNELIEKITKPGYDVIPEDAPLEEIIKWLKENMRSAFHAVGDGGGGSGGGGSGGGGSGTCKMGNAGDSSSVVDNQLRVHGVEGLRVVDASVVPKIPGGHTGAPVVMIAERAAALLTGK
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. (00:00:05)
[INFO] FoldX: Starting FoldX energy minimization (00:00:05)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:11:45)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/b217c98f3284918/tmp/folded.pdb (00:11:45)
[INFO] Main: Simulation completed successfully. (00:16:45)
|
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 | -0.6617 | |
| 2 | P | A | -0.3201 | |
| 3 | V | A | 0.0000 | |
| 4 | A | A | -0.7679 | |
| 5 | G | A | -1.1512 | |
| 6 | Q | A | -1.5906 | |
| 7 | K | A | -2.3972 | |
| 8 | Y | A | 0.0000 | |
| 9 | D | A | -1.5714 | |
| 10 | Y | A | 0.0000 | |
| 11 | I | A | 0.0000 | |
| 12 | L | A | 0.0000 | |
| 13 | V | A | 0.0000 | |
| 14 | G | A | -0.1328 | |
| 15 | G | A | 0.0000 | |
| 16 | G | A | -0.2288 | |
| 17 | T | A | -0.0945 | |
| 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 | -0.7253 | |
| 25 | R | A | -0.7889 | |
| 26 | L | A | 0.0000 | |
| 27 | S | A | 0.0000 | |
| 28 | A | A | -1.1987 | |
| 29 | D | A | -2.0916 | |
| 30 | G | A | -1.6927 | |
| 31 | S | A | -1.1623 | |
| 32 | K | A | -1.2233 | |
| 33 | R | A | -1.6543 | |
| 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 | -0.4938 | |
| 40 | G | A | 0.0000 | |
| 41 | P | A | -0.7860 | |
| 42 | D | A | -1.0358 | |
| 43 | N | A | 0.0000 | |
| 44 | T | A | -1.0270 | |
| 45 | S | A | -1.3962 | |
| 46 | R | A | -2.3180 | |
| 47 | D | A | -1.7939 | |
| 48 | V | A | 0.0000 | |
| 49 | K | A | -1.6715 | |
| 50 | I | A | -0.4695 | |
| 51 | P | A | -0.2508 | |
| 52 | A | A | -0.1290 | |
| 53 | A | A | -0.7568 | |
| 54 | I | A | -0.3256 | |
| 55 | T | A | -0.8933 | |
| 56 | R | A | -1.9723 | |
| 57 | L | A | 0.0000 | |
| 58 | F | A | -0.9145 | |
| 59 | R | A | -2.0311 | |
| 60 | S | A | -1.3205 | |
| 61 | P | A | -0.6545 | |
| 62 | L | A | -0.8404 | |
| 63 | D | A | 0.0000 | |
| 64 | W | A | -0.3435 | |
| 65 | N | A | -0.7124 | |
| 66 | L | A | 0.0000 | |
| 67 | F | A | 0.4279 | |
| 68 | S | A | 0.0000 | |
| 69 | E | A | -0.9169 | |
| 70 | L | A | -1.1559 | |
| 71 | Q | A | 0.0000 | |
| 72 | E | A | -2.9347 | |
| 73 | Q | A | -2.0740 | |
| 74 | L | A | 0.0000 | |
| 75 | A | A | -2.5355 | |
| 76 | E | A | -3.1738 | |
| 77 | R | A | -2.3855 | |
| 78 | Q | A | -1.8040 | |
| 79 | I | A | 0.0000 | |
| 80 | Y | A | 0.0000 | |
| 81 | M | A | 0.0000 | |
| 82 | A | A | 0.0000 | |
| 83 | R | A | -0.4934 | |
| 84 | G | A | -0.6415 | |
| 85 | R | A | -0.9012 | |
| 86 | L | A | 0.0000 | |
| 87 | L | A | 0.0000 | |
| 88 | G | A | 0.0000 | |
| 89 | G | A | 0.0000 | |
| 90 | S | A | -0.3599 | |
| 91 | S | A | 0.0000 | |
| 92 | A | A | 0.0000 | |
| 93 | T | A | -0.5229 | |
| 94 | N | A | -0.1982 | |
| 95 | A | A | -0.0445 | |
| 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 | -0.9955 | |
| 104 | G | A | -0.9099 | |
| 105 | D | A | 0.0000 | |
| 106 | Y | A | 0.0000 | |
| 107 | D | A | -2.2726 | |
| 108 | A | A | 0.0000 | |
| 109 | W | A | 0.0000 | |
| 110 | G | A | -1.4728 | |
| 111 | V | A | 0.0000 | |
| 112 | E | A | -2.4969 | |
| 113 | G | A | -1.6888 | |
| 114 | W | A | 0.0000 | |
| 115 | S | A | -1.9738 | |
| 116 | S | A | -1.6198 | |
| 117 | E | A | -2.3681 | |
| 118 | D | A | -1.9664 | |
| 119 | V | A | 0.0000 | |
| 120 | L | A | -0.5519 | |
| 121 | S | A | -0.6103 | |
| 122 | W | A | -0.3995 | |
| 123 | F | A | 0.0000 | |
| 124 | V | A | -0.2658 | |
| 125 | Q | A | -0.9486 | |
| 126 | A | A | 0.0000 | |
| 127 | E | A | 0.0000 | |
| 128 | T | A | -0.9583 | |
| 129 | N | A | 0.0000 | |
| 130 | A | A | -1.1521 | |
| 131 | D | A | -1.1311 | |
| 132 | F | A | -0.4417 | |
| 133 | G | A | -0.7282 | |
| 134 | P | A | -0.7388 | |
| 135 | G | A | -0.5138 | |
| 136 | A | A | -0.1619 | |
| 137 | Y | A | 0.0638 | |
| 138 | H | A | 0.0000 | |
| 139 | G | A | 0.0000 | |
| 140 | S | A | -0.8177 | |
| 141 | G | A | -0.8687 | |
| 142 | G | A | 0.0000 | |
| 143 | P | A | -0.6092 | |
| 144 | M | A | 0.0000 | |
| 145 | R | A | -1.6510 | |
| 146 | V | A | 0.0000 | |
| 147 | E | A | 0.0000 | |
| 148 | N | A | -1.1618 | |
| 149 | P | A | -0.6810 | |
| 150 | R | A | -0.8873 | |
| 151 | Y | A | 0.3989 | |
| 152 | T | A | -0.6413 | |
| 153 | N | A | -1.4458 | |
| 154 | K | A | -2.3642 | |
| 155 | Q | A | -2.1558 | |
| 156 | L | A | 0.0000 | |
| 157 | H | A | 0.0000 | |
| 158 | T | A | -1.1868 | |
| 159 | A | A | 0.0000 | |
| 160 | F | A | 0.0000 | |
| 161 | F | A | -0.9951 | |
| 162 | K | A | -2.5285 | |
| 163 | A | A | 0.0000 | |
| 164 | A | A | 0.0000 | |
| 165 | E | A | -3.1833 | |
| 166 | E | A | -3.4265 | |
| 167 | V | A | -1.9521 | |
| 168 | G | A | -1.8098 | |
| 169 | L | A | 0.0000 | |
| 170 | T | A | -1.0373 | |
| 171 | P | A | -0.5659 | |
| 172 | N | A | 0.0000 | |
| 173 | S | A | -0.3967 | |
| 174 | D | A | 0.0000 | |
| 175 | F | A | 0.0000 | |
| 176 | N | A | 0.0000 | |
| 177 | D | A | -0.6810 | |
| 178 | W | A | -0.6070 | |
| 179 | S | A | -0.8421 | |
| 180 | H | A | -1.5831 | |
| 181 | D | A | -2.5219 | |
| 182 | H | A | 0.0000 | |
| 183 | A | A | 0.0000 | |
| 184 | G | A | 0.0000 | |
| 185 | Y | A | 0.0000 | |
| 186 | G | A | 0.0000 | |
| 187 | T | A | -0.3089 | |
| 188 | F | A | 0.0000 | |
| 189 | Q | A | 0.0000 | |
| 190 | V | A | 0.0000 | |
| 191 | M | A | 0.0000 | |
| 192 | Q | A | -1.8133 | |
| 193 | D | A | -2.8367 | |
| 194 | K | A | -2.8346 | |
| 195 | G | A | -1.5690 | |
| 196 | T | A | -1.3915 | |
| 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 | -1.1066 | |
| 203 | Q | A | -1.0406 | |
| 204 | Y | A | 0.0000 | |
| 205 | L | A | 0.0000 | |
| 206 | K | A | -1.5316 | |
| 207 | P | A | -1.0013 | |
| 208 | V | A | 0.0000 | |
| 209 | L | A | -0.5040 | |
| 210 | G | A | -1.1188 | |
| 211 | R | A | -1.7281 | |
| 212 | R | A | -2.2466 | |
| 213 | N | A | 0.0000 | |
| 214 | L | A | 0.0000 | |
| 215 | Q | A | -0.4403 | |
| 216 | V | A | 0.3769 | |
| 217 | L | A | 0.0990 | |
| 218 | T | A | -0.2514 | |
| 219 | G | A | -0.8075 | |
| 220 | A | A | 0.0000 | |
| 221 | A | A | -0.4650 | |
| 222 | V | A | -0.1807 | |
| 223 | T | A | 0.0000 | |
| 224 | K | A | -0.5853 | |
| 225 | V | A | 0.0000 | |
| 226 | N | A | -0.5216 | |
| 227 | I | A | -0.6049 | |
| 228 | D | A | -1.3651 | |
| 229 | Q | A | -1.6789 | |
| 230 | A | A | -0.9358 | |
| 231 | A | A | -0.9801 | |
| 232 | G | A | -1.4207 | |
| 233 | K | A | -2.2396 | |
| 234 | A | A | 0.0000 | |
| 235 | Q | A | -1.6877 | |
| 236 | A | A | 0.0000 | |
| 237 | L | A | -0.2193 | |
| 238 | G | A | 0.0000 | |
| 239 | V | A | 0.0000 | |
| 240 | E | A | -1.0979 | |
| 241 | F | A | 0.0000 | |
| 242 | S | A | 0.0000 | |
| 243 | T | A | -1.5179 | |
| 244 | D | A | -2.5106 | |
| 245 | G | A | -1.5014 | |
| 246 | P | A | -1.2253 | |
| 247 | T | A | -1.1874 | |
| 248 | G | A | -2.0863 | |
| 249 | E | A | -2.8134 | |
| 250 | R | A | -2.2425 | |
| 251 | L | A | -1.2177 | |
| 252 | S | A | -1.0964 | |
| 253 | A | A | 0.0000 | |
| 254 | E | A | -2.1446 | |
| 255 | L | A | 0.0000 | |
| 256 | A | A | -1.3602 | |
| 257 | P | A | -0.8804 | |
| 258 | G | A | -0.8477 | |
| 259 | G | A | 0.0000 | |
| 260 | E | A | -1.0707 | |
| 261 | V | A | 0.0000 | |
| 262 | I | A | 0.0000 | |
| 263 | M | A | 0.0000 | |
| 264 | C | A | 0.0000 | |
| 265 | A | A | -0.1584 | |
| 266 | G | A | -0.1789 | |
| 267 | A | A | 0.0000 | |
| 268 | V | A | 0.0000 | |
| 269 | H | A | -0.2252 | |
| 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 | -0.9229 | |
| 283 | A | A | -1.1875 | |
| 284 | E | A | 0.0000 | |
| 285 | L | A | 0.0000 | |
| 286 | K | A | -2.4885 | |
| 287 | E | A | -2.5927 | |
| 288 | F | A | -1.4029 | |
| 289 | G | A | -1.3299 | |
| 290 | I | A | -0.6301 | |
| 291 | P | A | -0.1648 | |
| 292 | V | A | 0.1258 | |
| 293 | V | A | -0.1482 | |
| 294 | S | A | -0.5786 | |
| 295 | N | A | -1.0681 | |
| 296 | L | A | -0.6769 | |
| 297 | A | A | -0.7725 | |
| 298 | G | A | 0.0000 | |
| 299 | V | A | 0.0000 | |
| 300 | G | A | 0.0000 | |
| 301 | G | A | 0.0000 | |
| 302 | G | A | 0.0000 | |
| 303 | G | A | 0.0000 | |
| 304 | G | A | -1.0993 | |
| 305 | S | A | -1.0427 | |
| 306 | G | A | -1.3296 | |
| 307 | G | A | -1.2073 | |
| 308 | G | A | -1.1759 | |
| 309 | G | A | -1.1809 | |
| 310 | S | A | -1.1943 | |
| 311 | G | A | -1.2031 | |
| 312 | G | A | -0.9555 | |
| 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 | H | A | 0.0000 | |
| 319 | D | A | 0.0000 | |
| 320 | R | A | 0.0000 | |
| 321 | A | A | 0.0000 | |
| 322 | R | A | -0.8428 | |
| 323 | N | A | 0.0000 | |
| 324 | T | A | -0.5935 | |
| 325 | L | A | 0.0000 | |
| 326 | Q | A | -0.9322 | |
| 327 | A | A | 0.0000 | |
| 328 | K | A | -2.5945 | |
| 329 | G | A | 0.0000 | |
| 330 | K | A | -3.5955 | |
| 331 | G | A | -2.4440 | |
| 332 | E | A | -2.7557 | |
| 333 | L | A | 0.0000 | |
| 334 | S | A | -1.4627 | |
| 335 | G | A | -0.9472 | |
| 336 | T | A | 0.0000 | |
| 337 | E | A | -0.8316 | |
| 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 | -1.0522 | |
| 344 | L | A | 0.0000 | |
| 345 | E | A | -2.6862 | |
| 346 | D | A | -1.4136 | |
| 347 | V | A | -1.0343 | |
| 348 | F | A | -1.8297 | |
| 349 | G | A | -2.4537 | |
| 350 | E | A | -3.3347 | |
| 351 | E | A | -3.2073 | |
| 352 | T | A | 0.0000 | |
| 353 | E | A | -2.8867 | |
| 354 | A | A | -1.9994 | |
| 355 | V | A | 0.0000 | |
| 356 | V | A | -1.3921 | |
| 357 | A | A | -1.5897 | |
| 358 | K | A | -2.0907 | |
| 359 | M | A | 0.0000 | |
| 360 | R | A | -2.6206 | |
| 361 | A | A | -1.9319 | |
| 362 | E | A | -2.3451 | |
| 363 | L | A | 0.0000 | |
| 364 | E | A | -2.6379 | |
| 365 | G | A | -1.6143 | |
| 366 | Y | A | 0.0000 | |
| 367 | A | A | 0.0000 | |
| 368 | A | A | -1.0628 | |
| 369 | A | A | -0.6559 | |
| 370 | L | A | 0.0000 | |
| 371 | V | A | -1.0711 | |
| 372 | G | A | -1.1419 | |
| 373 | W | A | -0.6849 | |
| 374 | S | A | 0.0000 | |
| 375 | G | A | -1.5006 | |
| 376 | G | A | -1.8321 | |
| 377 | E | A | -2.3884 | |
| 378 | L | A | 0.0000 | |
| 379 | A | A | -1.4625 | |
| 380 | E | A | -2.3493 | |
| 381 | A | A | -1.0602 | |
| 382 | D | A | -0.9141 | |
| 383 | L | A | 0.0000 | |
| 384 | L | A | -0.7588 | |
| 385 | A | A | -0.5390 | |
| 386 | E | A | 0.0000 | |
| 387 | L | A | 0.0000 | |
| 388 | T | A | -0.7356 | |
| 389 | Q | A | -0.5560 | |
| 390 | R | A | 0.0000 | |
| 391 | F | A | 0.0000 | |
| 392 | N | A | -1.6510 | |
| 393 | L | A | 0.0000 | |
| 394 | I | A | 0.0000 | |
| 395 | V | A | -1.7537 | |
| 396 | D | A | -2.4681 | |
| 397 | Q | A | -2.8099 | |
| 398 | R | A | -3.1803 | |
| 399 | L | 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 | -0.1781 | |
| 406 | F | A | 0.0000 | |
| 407 | R | A | -0.9955 | |
| 408 | P | A | -1.2117 | |
| 409 | G | A | -0.9191 | |
| 410 | G | A | -1.3138 | |
| 411 | G | A | -1.6723 | |
| 412 | N | A | -2.2780 | |
| 413 | L | A | -1.2503 | |
| 414 | L | A | 0.0000 | |
| 415 | E | A | -0.7564 | |
| 416 | V | A | 0.0000 | |
| 417 | D | A | 0.0000 | |
| 418 | F | A | 0.0000 | |
| 419 | Y | A | 0.0000 | |
| 420 | P | 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 | L | A | 0.0000 | |
| 427 | G | A | 0.0000 | |
| 428 | G | A | 0.0000 | |
| 429 | V | A | 0.0000 | |
| 430 | R | A | -0.4775 | |
| 431 | L | A | 0.0000 | |
| 432 | S | A | -0.4786 | |
| 433 | S | A | -0.6882 | |
| 434 | A | A | -0.6596 | |
| 435 | D | A | -1.0484 | |
| 436 | P | A | -0.5341 | |
| 437 | F | A | -0.1054 | |
| 438 | A | A | -0.3489 | |
| 439 | P | A | -0.2610 | |
| 440 | P | A | 0.0000 | |
| 441 | A | A | 0.0000 | |
| 442 | I | A | 0.0000 | |
| 443 | R | A | -0.4957 | |
| 444 | P | A | 0.0000 | |
| 445 | N | A | -0.5291 | |
| 446 | F | A | 0.0000 | |
| 447 | F | A | 0.0000 | |
| 448 | A | A | -0.7709 | |
| 449 | F | A | 0.0000 | |
| 450 | R | A | -1.9811 | |
| 451 | Y | A | 0.0000 | |
| 452 | D | A | 0.0000 | |
| 453 | G | A | 0.0000 | |
| 454 | E | A | -0.8302 | |
| 455 | I | A | 0.0000 | |
| 456 | S | A | 0.0000 | |
| 457 | A | A | 0.0000 | |
| 458 | G | A | 0.0000 | |
| 459 | I | A | 0.0000 | |
| 460 | F | A | 0.0000 | |
| 461 | K | A | -1.7452 | |
| 462 | F | A | 0.0000 | |
| 463 | I | A | 0.0000 | |
| 464 | E | A | 0.0000 | |
| 465 | K | A | -2.5347 | |
| 466 | I | A | 0.0000 | |
| 467 | L | A | 0.0000 | |
| 468 | N | A | -2.9011 | |
| 469 | S | A | -2.8504 | |
| 470 | K | A | -3.1493 | |
| 471 | P | A | 0.0000 | |
| 472 | L | A | 0.0000 | |
| 473 | N | A | -3.4273 | |
| 474 | E | A | -3.2266 | |
| 475 | L | A | -2.7608 | |
| 476 | I | A | 0.0000 | |
| 477 | E | A | -3.8991 | |
| 478 | K | A | -3.2484 | |
| 479 | I | A | -1.4995 | |
| 480 | T | A | -1.1985 | |
| 481 | K | A | -1.0780 | |
| 482 | P | A | 0.0000 | |
| 483 | G | A | 0.0000 | |
| 484 | Y | A | -0.9023 | |
| 485 | D | A | -1.1990 | |
| 486 | V | A | 0.2588 | |
| 487 | I | A | 0.0000 | |
| 488 | P | A | -1.6569 | |
| 489 | E | A | -2.8356 | |
| 490 | D | A | -2.7602 | |
| 491 | A | A | 0.0000 | |
| 492 | P | A | -1.4406 | |
| 493 | L | A | -1.2421 | |
| 494 | E | A | -2.0525 | |
| 495 | E | A | -2.1261 | |
| 496 | I | A | 0.0000 | |
| 497 | I | A | 0.0000 | |
| 498 | K | A | -3.0509 | |
| 499 | W | A | 0.0000 | |
| 500 | L | A | 0.0000 | |
| 501 | K | A | -2.4161 | |
| 502 | E | A | -3.2264 | |
| 503 | N | A | -2.2180 | |
| 504 | M | A | 0.0000 | |
| 505 | R | A | -1.9049 | |
| 506 | S | A | 0.0000 | |
| 507 | A | A | -0.2450 | |
| 508 | F | A | 0.0841 | |
| 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 | 0.0000 | |
| 517 | G | A | 0.0000 | |
| 518 | S | A | -1.1177 | |
| 519 | G | A | -1.2119 | |
| 520 | G | A | -1.1995 | |
| 521 | G | A | -1.1507 | |
| 522 | G | A | -1.1289 | |
| 523 | S | A | -0.8905 | |
| 524 | G | A | -1.2987 | |
| 525 | G | A | -0.7813 | |
| 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 | -1.3868 | |
| 536 | A | A | -0.8632 | |
| 537 | G | A | -1.0448 | |
| 538 | D | A | -1.0430 | |
| 539 | S | A | -0.8944 | |
| 540 | S | A | 0.0000 | |
| 541 | S | A | 0.0000 | |
| 542 | V | A | 0.0000 | |
| 543 | V | A | 0.0000 | |
| 544 | D | A | -1.4763 | |
| 545 | N | A | -1.4238 | |
| 546 | Q | A | -1.3994 | |
| 547 | L | A | 0.0000 | |
| 548 | R | A | -2.4344 | |
| 549 | V | A | 0.0000 | |
| 550 | H | A | -1.3809 | |
| 551 | G | A | -1.5574 | |
| 552 | V | A | 0.0000 | |
| 553 | E | A | -2.4260 | |
| 554 | G | A | -1.3145 | |
| 555 | L | A | 0.0000 | |
| 556 | R | A | -1.3207 | |
| 557 | V | A | 0.0000 | |
| 558 | V | A | 0.0000 | |
| 559 | D | A | 0.0000 | |
| 560 | A | A | -0.0405 | |
| 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 | -0.1138 | |
| 571 | T | A | -0.0536 | |
| 572 | G | A | -0.1844 | |
| 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 | -0.2470 | |
| 582 | A | A | 0.0000 | |
| 583 | A | A | 0.0000 | |
| 584 | A | A | 0.0694 | |
| 585 | L | A | 0.3330 | |
| 586 | L | A | 0.1155 | |
| 587 | T | A | -0.3157 | |
| 588 | G | A | -0.2390 |
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 | -0.4473 | 2.1766 | View | CSV | PDB |
| 4.5 | -0.4973 | 2.1449 | View | CSV | PDB |
| 5.0 | -0.5613 | 2.1128 | View | CSV | PDB |
| 5.5 | -0.6286 | 2.0798 | View | CSV | PDB |
| 6.0 | -0.6874 | 2.0454 | View | CSV | PDB |
| 6.5 | -0.7274 | 2.0101 | View | CSV | PDB |
| 7.0 | -0.745 | 1.9749 | View | CSV | PDB |
| 7.5 | -0.7448 | 1.9666 | View | CSV | PDB |
| 8.0 | -0.7338 | 2.0733 | View | CSV | PDB |
| 8.5 | -0.7158 | 2.18 | View | CSV | PDB |
| 9.0 | -0.692 | 2.2846 | 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