| Chain sequence(s) |
A: MMEYAAIHHQPFSSDAYSYNGRTLHIKIRTKKDDAEHVRLVWGDPYEYTGGTWKANELAMAKIAATSTHDYWFAEVAPPFRRLQYGFILTGADDRDTFYGSNGACPFAGKAADIGKHCFKFPFVHEADTFDAPDWVKSTVWYQIFPERFASGREDLSPENALPWGSKDPEAHDFFGGDLQGIMDKLDYLEDLGVGGIYLTPIFAAPSNHKYDTLDYCSIDPHFGDEELFRTLVSRIHERGMKIMLDAVFNHIGSASQEWQDVVKNGETSRYKDWFHIHSFPVKEGSYDTFAFTPEMPKLNTANPEVQAYLLDIALYWIREFDIDGWRLDVANEVDHAFWKKFRQAVTAEKPDIFILGEIWHQADPWLRGDEFHSVMNYPFTEPMIDYFADGSISASQMASRINSHLMSGMKQVNEVMFNLLDSHDTKRILTRCGGDDKKVRSLLAFMFAQTGSPCIYYGTEVGLDGGDDPLCRKCMVWEEEKQNQEMLAFMKRLIALRKQENDVLTYGALEWKLVDDQNDFVSFSRTHEGKELIYFFHQGSEVRRVRLRDLKIASDKRIYDAWTEEALQHDDVVDIQPGGFFILGAV
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] (00:00:00)
[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 (00:07:38)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/a8f6b28cc437a98/tmp/folded.pdb (00:07:38)
[INFO] Main: Simulation completed successfully. (00:10:22)
|
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 | M | A | -0.0130 | |
| 2 | M | A | 0.0000 | |
| 3 | E | A | -1.0410 | |
| 4 | Y | A | -0.2863 | |
| 5 | A | A | -0.4242 | |
| 6 | A | A | 0.0000 | |
| 7 | I | A | 0.0000 | |
| 8 | H | A | -1.2130 | |
| 9 | H | A | 0.0000 | |
| 10 | Q | A | -1.0069 | |
| 11 | P | A | 0.0499 | |
| 12 | F | A | 1.2761 | |
| 13 | S | A | 0.1786 | |
| 14 | S | A | -0.2743 | |
| 15 | D | A | 0.0000 | |
| 16 | A | A | 0.0000 | |
| 17 | Y | A | 0.0000 | |
| 18 | S | A | -1.3263 | |
| 19 | Y | A | -1.5331 | |
| 20 | N | A | -2.3537 | |
| 21 | G | A | 0.0000 | |
| 22 | R | A | -2.5069 | |
| 23 | T | A | -1.6950 | |
| 24 | L | A | 0.0000 | |
| 25 | H | A | 0.0000 | |
| 26 | I | A | 0.0000 | |
| 27 | K | A | 0.0000 | |
| 28 | I | A | 0.0000 | |
| 29 | R | A | -1.1037 | |
| 30 | T | A | 0.0000 | |
| 31 | K | A | -2.3180 | |
| 32 | K | A | -2.8937 | |
| 33 | D | A | -3.1040 | |
| 34 | D | A | -2.5105 | |
| 35 | A | A | 0.0000 | |
| 36 | E | A | -3.3479 | |
| 37 | H | A | -2.4682 | |
| 38 | V | A | 0.0000 | |
| 39 | R | A | -1.1522 | |
| 40 | L | A | 0.0000 | |
| 41 | V | A | 0.0000 | |
| 42 | W | A | -1.0756 | |
| 43 | G | A | 0.0000 | |
| 44 | D | A | 0.0000 | |
| 45 | P | A | 0.0000 | |
| 46 | Y | A | 0.8936 | |
| 47 | E | A | -0.2369 | |
| 48 | Y | A | 0.3025 | |
| 49 | T | A | -0.4681 | |
| 50 | G | A | -0.6198 | |
| 51 | G | A | -0.6521 | |
| 52 | T | A | -1.0412 | |
| 53 | W | A | 0.0000 | |
| 54 | K | A | -1.7115 | |
| 55 | A | A | -1.7127 | |
| 56 | N | A | -2.4370 | |
| 57 | E | A | -2.3203 | |
| 58 | L | A | -1.1457 | |
| 59 | A | A | -0.8675 | |
| 60 | M | A | 0.0000 | |
| 61 | A | A | -0.7741 | |
| 62 | K | A | -1.6433 | |
| 63 | I | A | -0.2659 | |
| 64 | A | A | -0.3256 | |
| 65 | A | A | -1.0611 | |
| 66 | T | A | -0.8282 | |
| 67 | S | A | -0.8992 | |
| 68 | T | A | -1.0581 | |
| 69 | H | A | -1.4780 | |
| 70 | D | A | 0.0000 | |
| 71 | Y | A | 0.0000 | |
| 72 | W | A | 0.0000 | |
| 73 | F | A | -0.4711 | |
| 74 | A | A | 0.0000 | |
| 75 | E | A | -1.6665 | |
| 76 | V | A | 0.0000 | |
| 77 | A | A | -0.8110 | |
| 78 | P | A | 0.0000 | |
| 79 | P | A | 0.1611 | |
| 80 | F | A | 1.3028 | |
| 81 | R | A | 0.0702 | |
| 82 | R | A | 0.2896 | |
| 83 | L | A | 0.0000 | |
| 84 | Q | A | 0.0000 | |
| 85 | Y | A | 0.0000 | |
| 86 | G | A | 0.0000 | |
| 87 | F | A | 0.0000 | |
| 88 | I | A | 0.0000 | |
| 89 | L | A | 0.0000 | |
| 90 | T | A | 0.0000 | |
| 91 | G | A | 0.0000 | |
| 92 | A | A | -2.0607 | |
| 93 | D | A | -2.2089 | |
| 94 | D | A | -3.4267 | |
| 95 | R | A | -3.0798 | |
| 96 | D | A | -2.1143 | |
| 97 | T | A | 0.0000 | |
| 98 | F | A | 0.0000 | |
| 99 | Y | A | 0.0000 | |
| 100 | G | A | 0.0000 | |
| 101 | S | A | -1.6158 | |
| 102 | N | A | -1.6812 | |
| 103 | G | A | -0.8597 | |
| 104 | A | A | -0.3381 | |
| 105 | C | A | 0.1823 | |
| 106 | P | A | -0.4120 | |
| 107 | F | A | -0.8256 | |
| 108 | A | A | -1.0465 | |
| 109 | G | A | -1.5581 | |
| 110 | K | A | -2.3473 | |
| 111 | A | A | -1.8266 | |
| 112 | A | A | -1.9181 | |
| 113 | D | A | -2.7093 | |
| 114 | I | A | 0.0000 | |
| 115 | G | A | -1.8739 | |
| 116 | K | A | -2.5758 | |
| 117 | H | A | -2.0407 | |
| 118 | C | A | 0.0000 | |
| 119 | F | A | 0.0000 | |
| 120 | K | A | -1.1354 | |
| 121 | F | A | -0.0733 | |
| 122 | P | A | -0.1401 | |
| 123 | F | A | 0.6852 | |
| 124 | V | A | 0.0000 | |
| 125 | H | A | -2.3580 | |
| 126 | E | A | -3.3688 | |
| 127 | A | A | -2.3664 | |
| 128 | D | A | -3.3560 | |
| 129 | T | A | -3.0295 | |
| 130 | F | A | 0.0000 | |
| 131 | D | A | -3.2440 | |
| 132 | A | A | -1.7177 | |
| 133 | P | A | 0.0000 | |
| 134 | D | A | -2.3480 | |
| 135 | W | A | -1.1239 | |
| 136 | V | A | 0.0000 | |
| 137 | K | A | -1.0799 | |
| 138 | S | A | -1.1686 | |
| 139 | T | A | 0.0000 | |
| 140 | V | A | 0.0000 | |
| 141 | W | A | 0.0000 | |
| 142 | Y | A | 0.0000 | |
| 143 | Q | A | 0.0000 | |
| 144 | I | A | 0.0000 | |
| 145 | F | A | 0.0000 | |
| 146 | P | A | 0.0000 | |
| 147 | E | A | 0.0000 | |
| 148 | R | A | 0.0000 | |
| 149 | F | A | 0.0000 | |
| 150 | A | A | 0.0000 | |
| 151 | S | A | -1.1153 | |
| 152 | G | A | -1.8229 | |
| 153 | R | A | -2.3810 | |
| 154 | E | A | -3.1240 | |
| 155 | D | A | -3.0813 | |
| 156 | L | A | -1.8809 | |
| 157 | S | A | -1.9823 | |
| 158 | P | A | 0.0000 | |
| 159 | E | A | -2.5573 | |
| 160 | N | A | -2.0906 | |
| 161 | A | A | -1.1210 | |
| 162 | L | A | -0.4431 | |
| 163 | P | A | -0.3140 | |
| 164 | W | A | -0.0532 | |
| 165 | G | A | -1.0821 | |
| 166 | S | A | -1.2386 | |
| 167 | K | A | -2.4954 | |
| 168 | D | A | -2.9178 | |
| 169 | P | A | 0.0000 | |
| 170 | E | A | -2.8434 | |
| 171 | A | A | -1.5503 | |
| 172 | H | A | -1.6196 | |
| 173 | D | A | -1.6408 | |
| 174 | F | A | -0.7677 | |
| 175 | F | A | 0.0000 | |
| 176 | G | A | 0.0000 | |
| 177 | G | A | 0.0000 | |
| 178 | D | A | 0.0000 | |
| 179 | L | A | 0.0000 | |
| 180 | Q | A | -1.1827 | |
| 181 | G | A | 0.0000 | |
| 182 | I | A | 0.0000 | |
| 183 | M | A | -1.4633 | |
| 184 | D | A | -2.4992 | |
| 185 | K | A | -2.1498 | |
| 186 | L | A | 0.0000 | |
| 187 | D | A | -3.3204 | |
| 188 | Y | A | -2.1485 | |
| 189 | L | A | 0.0000 | |
| 190 | E | A | -3.0600 | |
| 191 | D | A | -3.0506 | |
| 192 | L | A | 0.0000 | |
| 193 | G | A | -1.7502 | |
| 194 | V | A | 0.0000 | |
| 195 | G | A | -0.6786 | |
| 196 | G | A | 0.0000 | |
| 197 | I | A | 0.0000 | |
| 198 | Y | A | 0.0000 | |
| 199 | L | A | 0.0000 | |
| 200 | T | A | 0.0000 | |
| 201 | P | A | 0.0000 | |
| 202 | I | A | 0.0000 | |
| 203 | F | A | 0.0000 | |
| 204 | A | A | -0.3371 | |
| 205 | A | A | -0.3149 | |
| 206 | P | A | -0.2708 | |
| 207 | S | A | -0.4367 | |
| 208 | N | A | 0.0000 | |
| 209 | H | A | -0.4051 | |
| 210 | K | A | 0.0000 | |
| 211 | Y | A | 0.0000 | |
| 212 | D | A | -0.5759 | |
| 213 | T | A | 0.0000 | |
| 214 | L | A | -0.3413 | |
| 215 | D | A | -0.8510 | |
| 216 | Y | A | 0.0000 | |
| 217 | C | A | -0.2478 | |
| 218 | S | A | -0.6182 | |
| 219 | I | A | 0.0000 | |
| 220 | D | A | 0.0000 | |
| 221 | P | A | -0.8313 | |
| 222 | H | A | -1.1412 | |
| 223 | F | A | 0.0000 | |
| 224 | G | A | -1.4519 | |
| 225 | D | A | -2.5674 | |
| 226 | E | A | -2.4582 | |
| 227 | E | A | -2.7084 | |
| 228 | L | A | -1.6631 | |
| 229 | F | A | 0.0000 | |
| 230 | R | A | -2.1904 | |
| 231 | T | A | -1.2049 | |
| 232 | L | A | 0.0000 | |
| 233 | V | A | 0.0000 | |
| 234 | S | A | -1.7879 | |
| 235 | R | A | -2.5795 | |
| 236 | I | A | 0.0000 | |
| 237 | H | A | -2.2378 | |
| 238 | E | A | -2.8336 | |
| 239 | R | A | -2.5451 | |
| 240 | G | A | -1.8179 | |
| 241 | M | A | 0.0000 | |
| 242 | K | A | -0.8558 | |
| 243 | I | A | 0.0000 | |
| 244 | M | A | 0.0000 | |
| 245 | L | A | 0.0000 | |
| 246 | D | A | 0.0000 | |
| 247 | A | A | 0.0000 | |
| 248 | V | A | 0.0000 | |
| 249 | F | A | 0.0000 | |
| 250 | N | A | 0.0000 | |
| 251 | H | A | 0.0000 | |
| 252 | I | A | 0.0000 | |
| 253 | G | A | 0.0000 | |
| 254 | S | A | -0.9559 | |
| 255 | A | A | -0.7715 | |
| 256 | S | A | 0.0000 | |
| 257 | Q | A | -1.5287 | |
| 258 | E | A | -1.1943 | |
| 259 | W | A | 0.0000 | |
| 260 | Q | A | -1.5374 | |
| 261 | D | A | 0.0000 | |
| 262 | V | A | 0.0000 | |
| 263 | V | A | -0.9330 | |
| 264 | K | A | -1.8977 | |
| 265 | N | A | -1.8724 | |
| 266 | G | A | -1.7245 | |
| 267 | E | A | -2.5199 | |
| 268 | T | A | -1.9779 | |
| 269 | S | A | 0.0000 | |
| 270 | R | A | -2.4875 | |
| 271 | Y | A | -2.0635 | |
| 272 | K | A | -2.1676 | |
| 273 | D | A | -2.3695 | |
| 274 | W | A | -1.5071 | |
| 275 | F | A | 0.0000 | |
| 276 | H | A | -1.3987 | |
| 277 | I | A | -1.4181 | |
| 278 | H | A | -1.3844 | |
| 279 | S | A | -1.0690 | |
| 280 | F | A | -0.5503 | |
| 281 | P | A | -1.0608 | |
| 282 | V | A | -1.4889 | |
| 283 | K | A | -2.6092 | |
| 284 | E | A | -2.9974 | |
| 285 | G | A | -1.8501 | |
| 286 | S | A | -1.8424 | |
| 287 | Y | A | 0.0000 | |
| 288 | D | A | -1.0039 | |
| 289 | T | A | -0.3042 | |
| 290 | F | A | 0.4908 | |
| 291 | A | A | 1.1649 | |
| 292 | F | A | 1.5318 | |
| 293 | T | A | 0.1344 | |
| 294 | P | A | -1.2591 | |
| 295 | E | A | -1.7527 | |
| 296 | M | A | -0.5511 | |
| 297 | P | A | 0.0000 | |
| 298 | K | A | -0.7663 | |
| 299 | L | A | 0.0000 | |
| 300 | N | A | -1.1808 | |
| 301 | T | A | 0.0000 | |
| 302 | A | A | -0.8145 | |
| 303 | N | A | -1.1448 | |
| 304 | P | A | -1.2610 | |
| 305 | E | A | -1.9892 | |
| 306 | V | A | 0.0000 | |
| 307 | Q | A | 0.0000 | |
| 308 | A | A | -1.0601 | |
| 309 | Y | A | -0.7382 | |
| 310 | L | A | 0.0000 | |
| 311 | L | A | -0.8808 | |
| 312 | D | A | -1.3869 | |
| 313 | I | A | 0.0000 | |
| 314 | A | A | 0.0000 | |
| 315 | L | A | -1.4744 | |
| 316 | Y | A | -1.3068 | |
| 317 | W | A | 0.0000 | |
| 318 | I | A | 0.0000 | |
| 319 | R | A | -3.2327 | |
| 320 | E | A | -2.8090 | |
| 321 | F | A | 0.0000 | |
| 322 | D | A | -2.7620 | |
| 323 | I | A | 0.0000 | |
| 324 | D | A | 0.0000 | |
| 325 | G | A | 0.0000 | |
| 326 | W | A | 0.0000 | |
| 327 | R | A | 0.0000 | |
| 328 | L | A | 0.0000 | |
| 329 | D | A | 0.0000 | |
| 330 | V | A | 0.0000 | |
| 331 | A | A | 0.0000 | |
| 332 | N | A | -1.4959 | |
| 333 | E | A | -1.9409 | |
| 334 | V | A | 0.0000 | |
| 335 | D | A | -1.8647 | |
| 336 | H | A | -1.8319 | |
| 337 | A | A | -1.2902 | |
| 338 | F | A | 0.0000 | |
| 339 | W | A | 0.0000 | |
| 340 | K | A | -2.9738 | |
| 341 | K | A | -2.7117 | |
| 342 | F | A | 0.0000 | |
| 343 | R | A | -2.1952 | |
| 344 | Q | A | -2.6236 | |
| 345 | A | A | -1.8134 | |
| 346 | V | A | 0.0000 | |
| 347 | T | A | -1.6988 | |
| 348 | A | A | -1.4688 | |
| 349 | E | A | -2.4864 | |
| 350 | K | A | -2.3174 | |
| 351 | P | A | -2.0130 | |
| 352 | D | A | -2.6664 | |
| 353 | I | A | 0.0000 | |
| 354 | F | A | 0.0000 | |
| 355 | I | A | 0.0000 | |
| 356 | L | A | 0.0000 | |
| 357 | G | A | 0.0000 | |
| 358 | E | A | -0.3506 | |
| 359 | I | A | 0.0000 | |
| 360 | W | A | -0.0641 | |
| 361 | H | A | -1.0468 | |
| 362 | Q | A | -1.5748 | |
| 363 | A | A | 0.0000 | |
| 364 | D | A | -1.4220 | |
| 365 | P | A | -1.2899 | |
| 366 | W | A | -1.3256 | |
| 367 | L | A | 0.0000 | |
| 368 | R | A | -2.5563 | |
| 369 | G | A | -2.5314 | |
| 370 | D | A | -3.0625 | |
| 371 | E | A | 0.0000 | |
| 372 | F | A | 0.0000 | |
| 373 | H | A | 0.0000 | |
| 374 | S | A | 0.0000 | |
| 375 | V | A | 0.0000 | |
| 376 | M | A | 0.0000 | |
| 377 | N | A | 0.0000 | |
| 378 | Y | A | -0.5215 | |
| 379 | P | A | -1.0691 | |
| 380 | F | A | 0.0000 | |
| 381 | T | A | 0.0000 | |
| 382 | E | A | -1.9871 | |
| 383 | P | A | 0.0000 | |
| 384 | M | A | 0.0000 | |
| 385 | I | A | -1.2138 | |
| 386 | D | A | -1.7721 | |
| 387 | Y | A | 0.0000 | |
| 388 | F | A | 0.0000 | |
| 389 | A | A | 0.0000 | |
| 390 | D | A | -2.3553 | |
| 391 | G | A | -1.5870 | |
| 392 | S | A | -1.0882 | |
| 393 | I | A | -0.7151 | |
| 394 | S | A | -0.9878 | |
| 395 | A | A | 0.0000 | |
| 396 | S | A | -0.7417 | |
| 397 | Q | A | -1.0806 | |
| 398 | M | A | 0.0000 | |
| 399 | A | A | 0.0000 | |
| 400 | S | A | -0.9391 | |
| 401 | R | A | -1.6191 | |
| 402 | I | A | 0.0000 | |
| 403 | N | A | 0.0000 | |
| 404 | S | A | -0.6348 | |
| 405 | H | A | -0.6955 | |
| 406 | L | A | -0.2322 | |
| 407 | M | A | -0.1418 | |
| 408 | S | A | -0.3821 | |
| 409 | G | A | -0.6818 | |
| 410 | M | A | -0.5147 | |
| 411 | K | A | -0.4836 | |
| 412 | Q | A | 0.0000 | |
| 413 | V | A | 0.0000 | |
| 414 | N | A | -0.3035 | |
| 415 | E | A | 0.0000 | |
| 416 | V | A | 0.0000 | |
| 417 | M | A | 0.0000 | |
| 418 | F | A | 0.0000 | |
| 419 | N | A | 0.0000 | |
| 420 | L | A | 0.0000 | |
| 421 | L | A | 0.0000 | |
| 422 | D | A | 0.0000 | |
| 423 | S | A | 0.0000 | |
| 424 | H | A | 0.0000 | |
| 425 | D | A | -2.1032 | |
| 426 | T | A | -1.8686 | |
| 427 | K | A | -2.3326 | |
| 428 | R | A | 0.0000 | |
| 429 | I | A | 0.0000 | |
| 430 | L | A | -1.5104 | |
| 431 | T | A | -1.6583 | |
| 432 | R | A | -1.6075 | |
| 433 | C | A | 0.0000 | |
| 434 | G | A | -1.6837 | |
| 435 | G | A | -1.9247 | |
| 436 | D | A | -2.2395 | |
| 437 | D | A | -2.4743 | |
| 438 | K | A | -2.4123 | |
| 439 | K | A | -2.0052 | |
| 440 | V | A | 0.0000 | |
| 441 | R | A | -1.2270 | |
| 442 | S | A | 0.0000 | |
| 443 | L | A | 0.0000 | |
| 444 | L | A | 0.0000 | |
| 445 | A | A | 0.0000 | |
| 446 | F | A | 0.0000 | |
| 447 | M | A | 0.0000 | |
| 448 | F | A | 0.0000 | |
| 449 | A | A | 0.0000 | |
| 450 | Q | A | 0.0000 | |
| 451 | T | A | -0.0487 | |
| 452 | G | A | 0.0000 | |
| 453 | S | A | 0.0000 | |
| 454 | P | A | 0.0000 | |
| 455 | C | A | 0.0000 | |
| 456 | I | A | 0.0000 | |
| 457 | Y | A | 0.0000 | |
| 458 | Y | A | 0.0000 | |
| 459 | G | A | 0.0000 | |
| 460 | T | A | 0.0000 | |
| 461 | E | A | 0.0000 | |
| 462 | V | A | 0.0000 | |
| 463 | G | A | -1.2915 | |
| 464 | L | A | -1.0625 | |
| 465 | D | A | -2.0518 | |
| 466 | G | A | -1.9690 | |
| 467 | G | A | -1.8844 | |
| 468 | D | A | -2.8615 | |
| 469 | D | A | -2.7669 | |
| 470 | P | A | -2.3853 | |
| 471 | L | A | -1.9147 | |
| 472 | C | A | 0.0000 | |
| 473 | R | A | -1.6985 | |
| 474 | K | A | -1.5742 | |
| 475 | C | A | 0.0000 | |
| 476 | M | A | 0.0000 | |
| 477 | V | A | -1.0320 | |
| 478 | W | A | -1.5470 | |
| 479 | E | A | -3.5848 | |
| 480 | E | A | -4.2693 | |
| 481 | E | A | -4.2480 | |
| 482 | K | A | -3.9122 | |
| 483 | Q | A | -3.1298 | |
| 484 | N | A | -2.3893 | |
| 485 | Q | A | -2.8242 | |
| 486 | E | A | -2.5032 | |
| 487 | M | A | 0.0000 | |
| 488 | L | A | -1.1380 | |
| 489 | A | A | -1.2157 | |
| 490 | F | A | 0.0000 | |
| 491 | M | A | 0.0000 | |
| 492 | K | A | -1.4815 | |
| 493 | R | A | -1.0350 | |
| 494 | L | A | 0.0000 | |
| 495 | I | A | 0.0000 | |
| 496 | A | A | -1.1057 | |
| 497 | L | A | 0.0000 | |
| 498 | R | A | 0.0000 | |
| 499 | K | A | -2.0023 | |
| 500 | Q | A | -2.0530 | |
| 501 | E | A | 0.0000 | |
| 502 | N | A | -1.8226 | |
| 503 | D | A | -2.4319 | |
| 504 | V | A | 0.0000 | |
| 505 | L | A | 0.0000 | |
| 506 | T | A | 0.0000 | |
| 507 | Y | A | -0.5113 | |
| 508 | G | A | 0.0000 | |
| 509 | A | A | -0.1190 | |
| 510 | L | A | -0.4530 | |
| 511 | E | A | -1.5493 | |
| 512 | W | A | -0.6174 | |
| 513 | K | A | -0.9186 | |
| 514 | L | A | 0.1539 | |
| 515 | V | A | -0.1671 | |
| 516 | D | A | -1.3926 | |
| 517 | D | A | -2.3261 | |
| 518 | Q | A | -2.4950 | |
| 519 | N | A | -2.6158 | |
| 520 | D | A | -2.0821 | |
| 521 | F | A | 0.0000 | |
| 522 | V | A | 0.0000 | |
| 523 | S | A | 0.0000 | |
| 524 | F | A | 0.0000 | |
| 525 | S | A | 0.0000 | |
| 526 | R | A | 0.0000 | |
| 527 | T | A | -1.1742 | |
| 528 | H | A | -1.6375 | |
| 529 | E | A | -2.2639 | |
| 530 | G | A | -1.2868 | |
| 531 | K | A | -1.0401 | |
| 532 | E | A | -0.4879 | |
| 533 | L | A | 0.0000 | |
| 534 | I | A | 0.0000 | |
| 535 | Y | A | 0.0000 | |
| 536 | F | A | 0.0000 | |
| 537 | F | A | 0.0000 | |
| 538 | H | A | 0.0000 | |
| 539 | Q | A | -1.3749 | |
| 540 | G | A | -1.8490 | |
| 541 | S | A | -1.5178 | |
| 542 | E | A | -2.2596 | |
| 543 | V | A | -1.4300 | |
| 544 | R | A | -2.4496 | |
| 545 | R | A | -2.6078 | |
| 546 | V | A | -1.9099 | |
| 547 | R | A | -3.1128 | |
| 548 | L | A | 0.0000 | |
| 549 | R | A | -4.0766 | |
| 550 | D | A | -3.1313 | |
| 551 | L | A | 0.0000 | |
| 552 | K | A | -2.5266 | |
| 553 | I | A | -1.6882 | |
| 554 | A | A | -1.4035 | |
| 555 | S | A | -2.0728 | |
| 556 | D | A | -2.2211 | |
| 557 | K | A | -1.7281 | |
| 558 | R | A | -1.8353 | |
| 559 | I | A | 0.0000 | |
| 560 | Y | A | 0.0000 | |
| 561 | D | A | -1.3647 | |
| 562 | A | A | 0.0000 | |
| 563 | W | A | -0.8168 | |
| 564 | T | A | -1.6109 | |
| 565 | E | A | -2.7242 | |
| 566 | E | A | -2.6905 | |
| 567 | A | A | -1.7406 | |
| 568 | L | A | -1.5400 | |
| 569 | Q | A | -2.2684 | |
| 570 | H | A | -3.1781 | |
| 571 | D | A | -3.3045 | |
| 572 | D | A | -1.9288 | |
| 573 | V | A | -1.1508 | |
| 574 | V | A | -0.9388 | |
| 575 | D | A | -1.4370 | |
| 576 | I | A | 0.0000 | |
| 577 | Q | A | -1.7888 | |
| 578 | P | A | -1.4667 | |
| 579 | G | A | -1.2260 | |
| 580 | G | A | -0.8465 | |
| 581 | F | A | -0.2806 | |
| 582 | F | A | 0.0000 | |
| 583 | I | A | 0.0000 | |
| 584 | L | A | 0.0000 | |
| 585 | G | A | 0.0000 | |
| 586 | A | A | 0.0000 | |
| 587 | V | A | 0.3922 |
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 | -0.5942 | 4.8358 | View | CSV | PDB |
| 4.5 | -0.6826 | 4.743 | View | CSV | PDB |
| 5.0 | -0.7914 | 4.624 | View | CSV | PDB |
| 5.5 | -0.9044 | 4.497 | View | CSV | PDB |
| 6.0 | -1.005 | 4.3789 | View | CSV | PDB |
| 6.5 | -1.0814 | 4.2861 | View | CSV | PDB |
| 7.0 | -1.1318 | 4.2254 | View | CSV | PDB |
| 7.5 | -1.1631 | 4.1877 | View | CSV | PDB |
| 8.0 | -1.1817 | 4.1612 | View | CSV | PDB |
| 8.5 | -1.1883 | 4.1408 | View | CSV | PDB |
| 9.0 | -1.1801 | 4.1263 | 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