| Chain sequence(s) |
A: KYDVVIVGSGPIGCTYARELVGAGYKVAMFDIGEIDSGLKIGAHKKNTVEYQKNIDKFVNVIQGQLMSVSVPVNTLVVDTLSPTSWQASTFFVRNGSNPEQDPLRNLSGQAVTRVVGGMSTAWTCATPRFDREQRPLLVKDDADADDAEWDRLYTKAESYFQTGTDQFKESIRHNLVLNKLTEEYKGQRDFQQIPLAATRRSPTFVEWSSANTVFDLQNRPNTDAPEERFNLFPAVACERVVRNALNSEIESLHIHDLISGDRFEIKADVYVLTAGAVHNTQLLVNSGFGQLGRPNPANPPELLPSLGSYITEQSLVFCQTVMSTELIDSVKSDMTIRGTPGELTYSVTYTPGASTNKHPDWWNEKVKNHMMQHQEDPLPIPFEDPEPQVTTLFQPSHPWHTQIHRDAFSYGAVQQSIDSRLIVDWRFFGRTEPKEENKLWFSDKITDAYNMPQPTFDFRFPAGRTSKEAEDMMTDMCVMSAKIGGFLPGSLPQFMEPGLVLHLGGTHRMGFDEKEDNCCVNTDSRVFGFKNLFLGGCGNIPTAYGANPTLTAMSLAIKSCEYIKQNFTPSPF
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. (00:00:02)
[INFO] FoldX: Starting FoldX energy minimization (00:00:02)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:05:38)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/1b9e1ff19a76625/tmp/folded.pdb (00:05:38)
[INFO] Main: Simulation completed successfully. (00:07:59)
|
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 |
|---|---|---|---|---|
| 46 | K | A | -2.5318 | |
| 47 | Y | A | -1.6134 | |
| 48 | D | A | -1.5716 | |
| 49 | V | A | 0.0000 | |
| 50 | V | A | 0.0000 | |
| 51 | I | A | 0.0000 | |
| 52 | V | A | 0.0000 | |
| 53 | G | A | 0.0000 | |
| 54 | S | A | 0.0000 | |
| 55 | G | A | -0.0942 | |
| 56 | P | A | -0.0242 | |
| 57 | I | A | 0.0000 | |
| 58 | G | A | 0.0000 | |
| 59 | C | A | 0.0000 | |
| 60 | T | A | 0.0000 | |
| 61 | Y | A | 0.0000 | |
| 62 | A | A | 0.0000 | |
| 63 | R | A | -1.2349 | |
| 64 | E | A | -1.0621 | |
| 65 | L | A | 0.0000 | |
| 66 | V | A | 0.0000 | |
| 67 | G | A | -1.2134 | |
| 68 | A | A | -0.8568 | |
| 69 | G | A | -0.8922 | |
| 70 | Y | A | 0.0000 | |
| 71 | K | A | -1.1238 | |
| 72 | V | A | 0.0000 | |
| 73 | A | A | 0.0000 | |
| 74 | M | A | 0.0000 | |
| 75 | F | A | 0.0000 | |
| 76 | D | A | 0.0000 | |
| 77 | I | A | 0.0349 | |
| 78 | G | A | 0.0000 | |
| 79 | E | A | -1.4955 | |
| 80 | I | A | -0.3078 | |
| 81 | D | A | -1.3913 | |
| 82 | S | A | -0.8886 | |
| 83 | G | A | -0.3209 | |
| 84 | L | A | 0.5394 | |
| 85 | K | A | -1.1312 | |
| 86 | I | A | -0.6987 | |
| 87 | G | A | 0.0000 | |
| 88 | A | A | -0.7245 | |
| 89 | H | A | 0.0000 | |
| 90 | K | A | -0.6388 | |
| 91 | K | A | 0.0000 | |
| 92 | N | A | -0.5866 | |
| 93 | T | A | -0.4109 | |
| 94 | V | A | 0.4006 | |
| 95 | E | A | -1.6684 | |
| 96 | Y | A | -1.2521 | |
| 97 | Q | A | -1.3581 | |
| 98 | K | A | -2.5038 | |
| 99 | N | A | -2.1339 | |
| 100 | I | A | -1.2168 | |
| 101 | D | A | -2.2573 | |
| 102 | K | A | -2.7563 | |
| 103 | F | A | 0.0000 | |
| 104 | V | A | -1.1940 | |
| 105 | N | A | -2.2079 | |
| 106 | V | A | -1.0063 | |
| 107 | I | A | 0.0000 | |
| 108 | Q | A | -1.5213 | |
| 109 | G | A | -1.1348 | |
| 110 | Q | A | 0.0000 | |
| 111 | L | A | -0.0121 | |
| 112 | M | A | 0.2065 | |
| 113 | S | A | 0.3968 | |
| 114 | V | A | 0.0000 | |
| 115 | S | A | 0.0000 | |
| 116 | V | A | 0.6451 | |
| 117 | P | A | 0.3367 | |
| 118 | V | A | 0.4461 | |
| 119 | N | A | 0.0807 | |
| 120 | T | A | 1.2286 | |
| 121 | L | A | 2.4468 | |
| 122 | V | A | 2.8500 | |
| 123 | V | A | 2.1087 | |
| 124 | D | A | -0.2208 | |
| 125 | T | A | -0.0571 | |
| 126 | L | A | 0.0759 | |
| 127 | S | A | -0.2797 | |
| 128 | P | A | -0.4725 | |
| 129 | T | A | -0.1200 | |
| 130 | S | A | 0.0756 | |
| 131 | W | A | 0.4716 | |
| 132 | Q | A | -0.4887 | |
| 133 | A | A | -0.0692 | |
| 134 | S | A | -0.0549 | |
| 135 | T | A | 0.6394 | |
| 136 | F | A | 1.9005 | |
| 137 | F | A | 1.7493 | |
| 138 | V | A | 1.5075 | |
| 139 | R | A | -0.0950 | |
| 140 | N | A | -1.2170 | |
| 141 | G | A | -0.6807 | |
| 142 | S | A | 0.0000 | |
| 143 | N | A | 0.0000 | |
| 144 | P | A | 0.2289 | |
| 145 | E | A | -0.7025 | |
| 146 | Q | A | 0.0000 | |
| 147 | D | A | -0.6972 | |
| 148 | P | A | -0.1927 | |
| 149 | L | A | 0.3326 | |
| 150 | R | A | -1.2524 | |
| 151 | N | A | 0.0000 | |
| 152 | L | A | 0.0000 | |
| 153 | S | A | -0.3347 | |
| 154 | G | A | -0.3126 | |
| 155 | Q | A | 0.0000 | |
| 156 | A | A | 0.2260 | |
| 157 | V | A | 0.3614 | |
| 158 | T | A | 0.0117 | |
| 159 | R | A | -0.2354 | |
| 160 | V | A | 0.0000 | |
| 161 | V | A | 0.0000 | |
| 162 | G | A | 0.0000 | |
| 163 | G | A | -0.2933 | |
| 164 | M | A | 0.3184 | |
| 165 | S | A | 0.0000 | |
| 166 | T | A | 0.0000 | |
| 167 | A | A | 0.0000 | |
| 168 | W | A | 0.1838 | |
| 169 | T | A | 0.0119 | |
| 170 | C | A | 0.0000 | |
| 171 | A | A | 0.0000 | |
| 172 | T | A | 0.0000 | |
| 173 | P | A | 0.0000 | |
| 174 | R | A | -1.2632 | |
| 175 | F | A | 0.0000 | |
| 176 | D | A | -2.3035 | |
| 177 | R | A | -3.0141 | |
| 178 | E | A | -2.9447 | |
| 179 | Q | A | 0.0000 | |
| 180 | R | A | -1.4021 | |
| 181 | P | A | 0.0000 | |
| 182 | L | A | -0.3466 | |
| 183 | L | A | 0.0000 | |
| 184 | V | A | -1.1050 | |
| 185 | K | A | -2.4306 | |
| 186 | D | A | -3.2986 | |
| 187 | D | A | -3.1849 | |
| 188 | A | A | -2.5323 | |
| 189 | D | A | -2.6033 | |
| 190 | A | A | -2.0920 | |
| 191 | D | A | 0.0000 | |
| 192 | D | A | -2.3246 | |
| 193 | A | A | -1.7017 | |
| 194 | E | A | -1.5294 | |
| 195 | W | A | 0.0000 | |
| 196 | D | A | -2.7411 | |
| 197 | R | A | -2.5057 | |
| 198 | L | A | 0.0000 | |
| 199 | Y | A | 0.0000 | |
| 200 | T | A | -1.7424 | |
| 201 | K | A | -1.9843 | |
| 202 | A | A | 0.0000 | |
| 203 | E | A | -1.2031 | |
| 204 | S | A | -1.1316 | |
| 205 | Y | A | 0.0000 | |
| 206 | F | A | 0.0000 | |
| 207 | Q | A | -1.4255 | |
| 208 | T | A | -1.0013 | |
| 209 | G | A | -1.0812 | |
| 210 | T | A | -1.3572 | |
| 211 | D | A | -2.7491 | |
| 212 | Q | A | -2.0958 | |
| 213 | F | A | 0.0000 | |
| 214 | K | A | -2.9206 | |
| 215 | E | A | -2.1999 | |
| 216 | S | A | 0.0000 | |
| 217 | I | A | 0.0000 | |
| 218 | R | A | 0.0000 | |
| 219 | H | A | 0.0000 | |
| 220 | N | A | -1.1605 | |
| 221 | L | A | 0.0000 | |
| 222 | V | A | 0.0000 | |
| 223 | L | A | -1.1264 | |
| 224 | N | A | -2.1417 | |
| 225 | K | A | -2.1654 | |
| 226 | L | A | 0.0000 | |
| 227 | T | A | -3.1697 | |
| 228 | E | A | -4.0369 | |
| 229 | E | A | -3.5744 | |
| 230 | Y | A | 0.0000 | |
| 231 | K | A | -3.8382 | |
| 232 | G | A | -2.9035 | |
| 233 | Q | A | -2.8488 | |
| 234 | R | A | -2.6729 | |
| 235 | D | A | -2.8452 | |
| 236 | F | A | 0.0000 | |
| 237 | Q | A | -1.1984 | |
| 238 | Q | A | 0.0000 | |
| 239 | I | A | 0.0000 | |
| 240 | P | A | -0.6953 | |
| 241 | L | A | 0.0000 | |
| 242 | A | A | 0.0000 | |
| 243 | A | A | 0.0000 | |
| 244 | T | A | -1.6760 | |
| 245 | R | A | -2.0274 | |
| 246 | R | A | -2.4819 | |
| 247 | S | A | -1.3782 | |
| 248 | P | A | -1.2432 | |
| 249 | T | A | -1.0698 | |
| 250 | F | A | 0.0000 | |
| 251 | V | A | 0.0000 | |
| 252 | E | A | -2.0455 | |
| 253 | W | A | 0.0000 | |
| 254 | S | A | 0.0000 | |
| 255 | S | A | 0.0000 | |
| 256 | A | A | 0.0000 | |
| 257 | N | A | 0.0000 | |
| 258 | T | A | -0.8484 | |
| 259 | V | A | 0.0000 | |
| 260 | F | A | 0.0000 | |
| 261 | D | A | -1.6913 | |
| 262 | L | A | 0.0000 | |
| 263 | Q | A | -1.8015 | |
| 264 | N | A | -1.8159 | |
| 265 | R | A | -2.0806 | |
| 266 | P | A | -2.0073 | |
| 267 | N | A | -1.9223 | |
| 268 | T | A | -1.5058 | |
| 269 | D | A | -2.3344 | |
| 270 | A | A | -2.1705 | |
| 271 | P | A | -2.0380 | |
| 272 | E | A | -2.2861 | |
| 273 | E | A | -1.9088 | |
| 274 | R | A | -1.3071 | |
| 275 | F | A | 0.0000 | |
| 276 | N | A | -1.0265 | |
| 277 | L | A | 0.0000 | |
| 278 | F | A | 0.1399 | |
| 279 | P | A | 0.0920 | |
| 280 | A | A | 0.0000 | |
| 281 | V | A | 0.0000 | |
| 282 | A | A | 0.0000 | |
| 283 | C | A | -0.4302 | |
| 284 | E | A | 0.0000 | |
| 285 | R | A | -1.2717 | |
| 286 | V | A | 0.0000 | |
| 287 | V | A | -0.7911 | |
| 288 | R | A | -0.8227 | |
| 289 | N | A | -0.3840 | |
| 290 | A | A | 0.4793 | |
| 291 | L | A | 1.0906 | |
| 292 | N | A | -0.0444 | |
| 293 | S | A | -0.8011 | |
| 294 | E | A | -1.8102 | |
| 295 | I | A | 0.0000 | |
| 296 | E | A | -2.1271 | |
| 297 | S | A | -1.8896 | |
| 298 | L | A | 0.0000 | |
| 299 | H | A | -1.2653 | |
| 300 | I | A | 0.0000 | |
| 301 | H | A | -1.0159 | |
| 302 | D | A | -0.3106 | |
| 303 | L | A | 0.6166 | |
| 304 | I | A | 1.6243 | |
| 305 | S | A | -0.1089 | |
| 306 | G | A | -0.7716 | |
| 307 | D | A | -1.8457 | |
| 308 | R | A | -2.0701 | |
| 309 | F | A | -0.6658 | |
| 310 | E | A | -2.0196 | |
| 311 | I | A | -1.4158 | |
| 312 | K | A | -2.6460 | |
| 313 | A | A | 0.0000 | |
| 314 | D | A | -2.7978 | |
| 315 | V | A | 0.0000 | |
| 316 | Y | A | 0.0000 | |
| 317 | V | A | 0.0000 | |
| 318 | L | A | 0.0000 | |
| 319 | T | A | 0.0000 | |
| 320 | A | A | -0.1203 | |
| 321 | G | A | -0.2070 | |
| 322 | A | A | -0.0764 | |
| 323 | V | A | 0.0000 | |
| 324 | H | A | -0.1587 | |
| 325 | N | A | 0.0000 | |
| 326 | T | A | 0.0000 | |
| 327 | Q | A | 0.0000 | |
| 328 | L | A | 0.0000 | |
| 329 | L | A | 0.0000 | |
| 330 | V | A | 0.0000 | |
| 331 | N | A | -0.5627 | |
| 332 | S | A | 0.0000 | |
| 333 | G | A | -0.5863 | |
| 334 | F | A | 0.0000 | |
| 335 | G | A | -0.5869 | |
| 336 | Q | A | -1.2463 | |
| 337 | L | A | -0.7571 | |
| 338 | G | A | -1.8210 | |
| 339 | R | A | -2.4625 | |
| 340 | P | A | -1.9640 | |
| 341 | N | A | -2.0005 | |
| 342 | P | A | -1.4154 | |
| 343 | A | A | -1.0952 | |
| 344 | N | A | -2.0465 | |
| 345 | P | A | -1.7149 | |
| 346 | P | A | -1.5999 | |
| 347 | E | A | -2.1130 | |
| 348 | L | A | -0.9646 | |
| 349 | L | A | 0.0000 | |
| 350 | P | A | -1.1515 | |
| 351 | S | A | -1.0771 | |
| 352 | L | A | 0.0000 | |
| 353 | G | A | 0.0000 | |
| 354 | S | A | 0.0000 | |
| 355 | Y | A | -1.2938 | |
| 356 | I | A | 0.0000 | |
| 357 | T | A | 0.0000 | |
| 358 | E | A | 0.0000 | |
| 359 | Q | A | 0.0000 | |
| 360 | S | A | 0.0000 | |
| 361 | L | A | 0.0000 | |
| 362 | V | A | 0.0000 | |
| 363 | F | A | 0.0000 | |
| 364 | C | A | 0.0000 | |
| 365 | Q | A | 0.1508 | |
| 366 | T | A | 0.0000 | |
| 367 | V | A | 0.3969 | |
| 368 | M | A | 0.0000 | |
| 369 | S | A | -0.8842 | |
| 370 | T | A | -1.3388 | |
| 371 | E | A | -2.4153 | |
| 372 | L | A | 0.0000 | |
| 373 | I | A | -1.3055 | |
| 374 | D | A | -2.5005 | |
| 375 | S | A | -1.8207 | |
| 376 | V | A | 0.0000 | |
| 377 | K | A | -1.2174 | |
| 378 | S | A | -1.2731 | |
| 379 | D | A | -1.1158 | |
| 380 | M | A | -0.3391 | |
| 381 | T | A | -0.1659 | |
| 382 | I | A | -0.2652 | |
| 383 | R | A | -1.7089 | |
| 384 | G | A | -1.4496 | |
| 385 | T | A | -1.1131 | |
| 386 | P | A | -1.5541 | |
| 387 | G | A | -1.7221 | |
| 388 | E | A | -1.3795 | |
| 389 | L | A | 0.4865 | |
| 390 | T | A | -0.4540 | |
| 391 | Y | A | 0.0000 | |
| 392 | S | A | -0.5644 | |
| 393 | V | A | 0.0000 | |
| 394 | T | A | -0.2735 | |
| 395 | Y | A | -0.5180 | |
| 396 | T | A | -0.6015 | |
| 397 | P | A | -1.1420 | |
| 398 | G | A | -1.1309 | |
| 399 | A | A | -0.9773 | |
| 400 | S | A | -0.9118 | |
| 401 | T | A | -0.8167 | |
| 402 | N | A | -1.6918 | |
| 403 | K | A | -2.3183 | |
| 404 | H | A | -1.7021 | |
| 405 | P | A | -1.5705 | |
| 406 | D | A | -2.3496 | |
| 407 | W | A | -1.0202 | |
| 408 | W | A | 0.0000 | |
| 409 | N | A | 0.0000 | |
| 410 | E | A | -1.6768 | |
| 411 | K | A | -1.4109 | |
| 412 | V | A | 0.0000 | |
| 413 | K | A | -1.0564 | |
| 414 | N | A | -1.3532 | |
| 415 | H | A | 0.0000 | |
| 416 | M | A | -1.0578 | |
| 417 | M | A | -0.9863 | |
| 418 | Q | A | -1.7659 | |
| 419 | H | A | -1.6642 | |
| 420 | Q | A | -2.1809 | |
| 421 | E | A | -2.5228 | |
| 422 | D | A | -1.4092 | |
| 423 | P | A | -0.8883 | |
| 424 | L | A | -0.4612 | |
| 425 | P | A | 0.0000 | |
| 426 | I | A | 0.0000 | |
| 427 | P | A | -0.0843 | |
| 428 | F | A | 0.6272 | |
| 429 | E | A | -1.3562 | |
| 430 | D | A | 0.0000 | |
| 431 | P | A | -0.9888 | |
| 432 | E | A | -0.7955 | |
| 433 | P | A | 0.0000 | |
| 434 | Q | A | 0.0000 | |
| 435 | V | A | 0.0000 | |
| 436 | T | A | 0.0000 | |
| 437 | T | A | 0.0000 | |
| 438 | L | A | -0.4541 | |
| 439 | F | A | 0.0000 | |
| 440 | Q | A | -1.6797 | |
| 441 | P | A | -1.1327 | |
| 442 | S | A | -0.7543 | |
| 443 | H | A | 0.0000 | |
| 444 | P | A | 0.0000 | |
| 445 | W | A | 0.0000 | |
| 446 | H | A | 0.0000 | |
| 447 | T | A | 0.0000 | |
| 448 | Q | A | 0.0000 | |
| 449 | I | A | 0.0000 | |
| 450 | H | A | 0.0000 | |
| 451 | R | A | -0.5937 | |
| 452 | D | A | -0.4223 | |
| 453 | A | A | -0.5209 | |
| 454 | F | A | -0.3601 | |
| 455 | S | A | -0.4156 | |
| 456 | Y | A | 0.3335 | |
| 457 | G | A | -0.1081 | |
| 458 | A | A | 0.0890 | |
| 459 | V | A | -0.0491 | |
| 460 | Q | A | -0.6547 | |
| 461 | Q | A | -1.2221 | |
| 462 | S | A | -0.6956 | |
| 463 | I | A | -0.2577 | |
| 464 | D | A | -0.7803 | |
| 465 | S | A | -0.4165 | |
| 466 | R | A | 0.0000 | |
| 467 | L | A | 0.1393 | |
| 468 | I | A | 0.0000 | |
| 469 | V | A | 0.0000 | |
| 470 | D | A | 0.0000 | |
| 471 | W | A | 0.0000 | |
| 472 | R | A | 0.0000 | |
| 473 | F | A | 0.0000 | |
| 474 | F | A | 0.0000 | |
| 475 | G | A | 0.0000 | |
| 476 | R | A | 0.0000 | |
| 477 | T | A | 0.0000 | |
| 478 | E | A | -0.7306 | |
| 479 | P | A | -0.8972 | |
| 480 | K | A | -2.0475 | |
| 481 | E | A | -2.8163 | |
| 482 | E | A | -3.1190 | |
| 483 | N | A | 0.0000 | |
| 484 | K | A | -1.5785 | |
| 485 | L | A | 0.0000 | |
| 486 | W | A | 0.0000 | |
| 487 | F | A | 0.0000 | |
| 488 | S | A | 0.0000 | |
| 489 | D | A | -2.7237 | |
| 490 | K | A | -2.3540 | |
| 491 | I | A | -1.2227 | |
| 492 | T | A | -1.1262 | |
| 493 | D | A | -0.5976 | |
| 494 | A | A | -0.3832 | |
| 495 | Y | A | -0.2334 | |
| 496 | N | A | -1.1328 | |
| 497 | M | A | 0.0000 | |
| 498 | P | A | -0.9752 | |
| 499 | Q | A | 0.0000 | |
| 500 | P | A | 0.0000 | |
| 501 | T | A | 0.0000 | |
| 502 | F | A | 0.0000 | |
| 503 | D | A | -1.7203 | |
| 504 | F | A | 0.0000 | |
| 505 | R | A | -2.0590 | |
| 506 | F | A | -0.7822 | |
| 507 | P | A | 0.0000 | |
| 508 | A | A | -0.9461 | |
| 509 | G | A | -1.4780 | |
| 510 | R | A | -2.0210 | |
| 511 | T | A | 0.0000 | |
| 512 | S | A | -2.1037 | |
| 513 | K | A | -3.1192 | |
| 514 | E | A | -2.2867 | |
| 515 | A | A | 0.0000 | |
| 516 | E | A | -2.6320 | |
| 517 | D | A | -2.1142 | |
| 518 | M | A | 0.0000 | |
| 519 | M | A | -0.4453 | |
| 520 | T | A | -0.3071 | |
| 521 | D | A | 0.0286 | |
| 522 | M | A | 0.0000 | |
| 523 | C | A | 0.9548 | |
| 524 | V | A | 1.6536 | |
| 525 | M | A | 0.0000 | |
| 526 | S | A | 0.0000 | |
| 527 | A | A | 0.5091 | |
| 528 | K | A | -0.3226 | |
| 529 | I | A | 0.0000 | |
| 530 | G | A | 0.0000 | |
| 531 | G | A | 0.0781 | |
| 532 | F | A | 0.7677 | |
| 533 | L | A | 0.0000 | |
| 534 | P | A | -0.0681 | |
| 535 | G | A | -0.2385 | |
| 536 | S | A | 0.0000 | |
| 537 | L | A | 0.7877 | |
| 538 | P | A | 0.4895 | |
| 539 | Q | A | 0.2211 | |
| 540 | F | A | 0.5768 | |
| 541 | M | A | -0.1595 | |
| 542 | E | A | -1.5092 | |
| 543 | P | A | -0.9438 | |
| 544 | G | A | 0.0000 | |
| 545 | L | A | -0.1626 | |
| 546 | V | A | 0.1128 | |
| 547 | L | A | 0.4547 | |
| 548 | H | A | 0.1223 | |
| 549 | L | A | 0.0000 | |
| 550 | G | A | 0.0000 | |
| 551 | G | A | 0.0000 | |
| 552 | T | A | 0.0000 | |
| 553 | H | A | 0.0000 | |
| 554 | R | A | 0.0000 | |
| 555 | M | A | 0.0000 | |
| 556 | G | A | -0.8796 | |
| 557 | F | A | -0.6331 | |
| 558 | D | A | -2.4076 | |
| 559 | E | A | -3.1096 | |
| 560 | K | A | -3.7564 | |
| 561 | E | A | -3.6852 | |
| 562 | D | A | -3.0195 | |
| 563 | N | A | -2.7794 | |
| 564 | C | A | 0.0000 | |
| 565 | C | A | 0.0000 | |
| 566 | V | A | 0.0000 | |
| 567 | N | A | -0.5492 | |
| 568 | T | A | -0.0239 | |
| 569 | D | A | -0.4755 | |
| 570 | S | A | 0.0000 | |
| 571 | R | A | -0.7068 | |
| 572 | V | A | 0.0000 | |
| 573 | F | A | -0.5893 | |
| 574 | G | A | -0.8376 | |
| 575 | F | A | 0.0000 | |
| 576 | K | A | -1.9983 | |
| 577 | N | A | 0.0000 | |
| 578 | L | A | 0.0000 | |
| 579 | F | A | 0.0000 | |
| 580 | L | A | 0.0000 | |
| 581 | G | A | 0.0000 | |
| 582 | G | A | 0.0000 | |
| 583 | C | A | 0.0078 | |
| 584 | G | A | 0.0000 | |
| 585 | N | A | 0.0000 | |
| 586 | I | A | 0.0000 | |
| 587 | P | A | -0.1753 | |
| 588 | T | A | -0.2879 | |
| 589 | A | A | -0.4175 | |
| 590 | Y | A | 0.0000 | |
| 591 | G | A | 0.0000 | |
| 592 | A | A | 0.0000 | |
| 593 | N | A | -0.1927 | |
| 594 | P | A | 0.0000 | |
| 595 | T | A | -0.1245 | |
| 596 | L | A | 0.0000 | |
| 597 | T | A | 0.0000 | |
| 598 | A | A | 0.0000 | |
| 599 | M | A | 0.0000 | |
| 600 | S | A | 0.0000 | |
| 601 | L | A | 0.0000 | |
| 602 | A | A | 0.0000 | |
| 603 | I | A | 0.0000 | |
| 604 | K | A | -0.5741 | |
| 605 | S | A | 0.0000 | |
| 606 | C | A | 0.0000 | |
| 607 | E | A | -1.4163 | |
| 608 | Y | A | -1.2208 | |
| 609 | I | A | 0.0000 | |
| 610 | K | A | -2.2974 | |
| 611 | Q | A | -2.3118 | |
| 612 | N | A | -2.0070 | |
| 613 | F | A | 0.0000 | |
| 614 | T | A | -1.0760 | |
| 615 | P | A | -0.5306 | |
| 616 | S | A | -0.1275 | |
| 617 | P | A | 0.5289 | |
| 618 | F | A | 1.2628 |
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 | -0.2226 | 4.6043 | View | CSV | PDB |
| 4.5 | -0.2923 | 4.5449 | View | CSV | PDB |
| 5.0 | -0.3779 | 4.4639 | View | CSV | PDB |
| 5.5 | -0.4663 | 4.3769 | View | CSV | PDB |
| 6.0 | -0.5437 | 4.301 | View | CSV | PDB |
| 6.5 | -0.5989 | 4.2531 | View | CSV | PDB |
| 7.0 | -0.6298 | 4.2399 | View | CSV | PDB |
| 7.5 | -0.6433 | 4.252 | View | CSV | PDB |
| 8.0 | -0.646 | 4.2761 | View | CSV | PDB |
| 8.5 | -0.64 | 4.3045 | View | CSV | PDB |
| 9.0 | -0.6236 | 4.3342 | 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