| Chain sequence(s) |
A: SRSVLRYDDFHTDEDKLDTNSVYEPYYHSDHAESSWVNRGESSRKAYDHNSPYSWPRNDYDGSSENAHEHHGSYNQGRGIDSGERLMQPTQMSAQEDLGDDTGIHVIPTLNGDDRHKIVNVDQRQYGDVFKGDLNPKPQGQRLIEVSVEENHPFTLRAPIQRIYGVRYTETWSFLPSLTCTGDAAPAIQHICLKHTTCFQDVVVDVDCAENTKEDQLAEISYRFQGKKEADQPWIVVNTSTLFDELELDPPEIEPGVLKVLRTEKQYLGVYIWNMRGSDGTSTYATFLVTWKGDEKTRNPTPAVTPQPRGAEFHMWNYHSHVFSVGDTFSLAMHLQYKIHEAPFDLLLEWLYVPIDPTCQPMRLYSTCLYHPNAPQCLSHMNSGCTFTSPHLAQRVASTVYQNCEHADNYTAYCLGISHMEPSFGLILHDGGTTLKFVDTPESLSGLYVFVVYFNGHVEAVAYTVVSTVDHFVNAIEERGFPPTAGQPPATTKPKEITPVNPGTSPLLRYLEHHHHHH
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 |
| Mutated residues | YS53A |
| Energy difference between WT (input) and mutated protein (by FoldX) | 0.812481 kcal/mol |
| 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. (00:00:02)
[INFO] FoldX: Starting FoldX energy minimization (00:00:02)
[INFO] FoldX: Building mutant model (00:02:15)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:02:21)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/748c37756723bf7/tmp/folded.pdb (00:02:21)
[INFO] Main: Simulation completed successfully. (00:04:58)
|
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 | -0.9407 | |
| 2 | R | A | -1.3806 | |
| 3 | S | A | -0.1139 | |
| 4 | V | A | 1.5555 | |
| 5 | L | A | 1.3332 | |
| 6 | R | A | -0.7346 | |
| 7 | Y | A | -0.0084 | |
| 8 | D | A | -1.9711 | |
| 9 | D | A | -1.9203 | |
| 10 | F | A | 0.0790 | |
| 11 | H | A | -1.5090 | |
| 12 | T | A | -1.8147 | |
| 13 | D | A | -3.4292 | |
| 14 | E | A | -3.9332 | |
| 15 | D | A | -3.7911 | |
| 16 | K | A | -3.0230 | |
| 17 | L | A | -0.9907 | |
| 18 | D | A | -2.1750 | |
| 19 | T | A | -1.1779 | |
| 20 | N | A | -1.1029 | |
| 21 | S | A | -0.1144 | |
| 22 | V | A | 1.4122 | |
| 23 | Y | A | 1.1932 | |
| 24 | E | A | -0.3191 | |
| 25 | P | A | 0.2850 | |
| 26 | Y | A | 1.1924 | |
| 27 | Y | A | 1.1205 | |
| 28 | H | A | -0.5188 | |
| 29 | S | A | -1.2853 | |
| 30 | D | A | -2.6244 | |
| 31 | H | A | -2.3728 | |
| 32 | A | A | -1.7397 | |
| 33 | E | A | -2.0593 | |
| 34 | S | A | -0.8457 | |
| 35 | S | A | 0.1928 | |
| 36 | W | A | 1.4084 | |
| 37 | V | A | 1.1571 | |
| 38 | N | A | -1.2957 | |
| 39 | R | A | -2.7363 | |
| 40 | G | A | -2.4587 | |
| 41 | E | A | -2.7710 | |
| 42 | S | A | -2.0648 | |
| 43 | S | A | -2.0794 | |
| 44 | R | A | -2.6813 | |
| 45 | K | A | -2.5153 | |
| 46 | A | A | -1.1314 | |
| 47 | Y | A | -0.3961 | |
| 48 | D | A | -2.1059 | |
| 49 | H | A | -2.2542 | |
| 50 | N | A | -2.3468 | |
| 51 | S | A | -1.4836 | |
| 52 | P | A | -0.8151 | |
| 53 | S | A | -0.3403 | mutated: YS53A |
| 54 | S | A | -0.1079 | |
| 55 | W | A | 0.3594 | |
| 56 | P | A | -1.1850 | |
| 57 | R | A | -2.6607 | |
| 58 | N | A | -2.8062 | |
| 59 | D | A | -2.7513 | |
| 60 | Y | A | -1.0293 | |
| 61 | D | A | -2.0484 | |
| 62 | G | A | -1.6842 | |
| 63 | S | A | -1.4485 | |
| 64 | S | A | -1.5985 | |
| 65 | E | A | -2.7362 | |
| 66 | N | A | -2.6662 | |
| 67 | A | A | -2.0728 | |
| 68 | H | A | -2.7239 | |
| 69 | E | A | -3.1714 | |
| 70 | H | A | -2.7395 | |
| 71 | H | A | -2.1059 | |
| 72 | G | A | -1.2902 | |
| 73 | S | A | -0.7268 | |
| 74 | Y | A | -0.0429 | |
| 75 | N | A | -1.7223 | |
| 76 | Q | A | -2.2845 | |
| 77 | G | A | -1.9240 | |
| 78 | R | A | -2.4559 | |
| 79 | G | A | -1.2351 | |
| 80 | I | A | 0.1353 | |
| 81 | D | A | -1.7203 | |
| 82 | S | A | -1.5983 | |
| 83 | G | A | -2.0634 | |
| 84 | E | A | -2.6131 | |
| 85 | R | A | -2.0107 | |
| 86 | L | A | 0.0361 | |
| 87 | M | A | 0.2269 | |
| 88 | Q | A | -0.8097 | |
| 89 | P | A | -0.4675 | |
| 90 | T | A | -0.6444 | |
| 91 | Q | A | -1.0430 | |
| 92 | M | A | 0.0298 | |
| 93 | S | A | -0.6066 | |
| 94 | A | A | -1.0456 | |
| 95 | Q | A | -1.7299 | |
| 96 | E | A | -1.6329 | |
| 97 | D | A | -2.3770 | |
| 98 | L | A | -1.0832 | |
| 99 | G | A | -2.0627 | |
| 100 | D | A | -2.6210 | |
| 101 | D | A | -2.5252 | |
| 102 | T | A | -1.3426 | |
| 103 | G | A | -1.2786 | |
| 104 | I | A | 0.0000 | |
| 105 | H | A | -0.6085 | |
| 106 | V | A | -0.0763 | |
| 107 | I | A | 0.0000 | |
| 108 | P | A | -0.8903 | |
| 109 | T | A | 0.0000 | |
| 110 | L | A | 0.0572 | |
| 111 | N | A | -1.3319 | |
| 112 | G | A | -1.8726 | |
| 113 | D | A | -2.8110 | |
| 114 | D | A | -3.1308 | |
| 115 | R | A | -3.1832 | |
| 116 | H | A | -1.9725 | |
| 117 | K | A | -1.3750 | |
| 118 | I | A | 0.0000 | |
| 119 | V | A | 0.0000 | |
| 120 | N | A | 0.0000 | |
| 121 | V | A | 0.0000 | |
| 122 | D | A | 0.0000 | |
| 123 | Q | A | -2.0461 | |
| 124 | R | A | -2.7002 | |
| 125 | Q | A | -2.3087 | |
| 126 | Y | A | 0.0000 | |
| 127 | G | A | -2.1941 | |
| 128 | D | A | -2.5250 | |
| 129 | V | A | 0.0000 | |
| 130 | F | A | -1.2425 | |
| 131 | K | A | -2.0090 | |
| 132 | G | A | -1.3065 | |
| 133 | D | A | -1.1561 | |
| 134 | L | A | -0.0748 | |
| 135 | N | A | -1.4402 | |
| 136 | P | A | -1.7363 | |
| 137 | K | A | -2.4418 | |
| 138 | P | A | -2.4659 | |
| 139 | Q | A | -2.2424 | |
| 140 | G | A | -1.7795 | |
| 141 | Q | A | -1.7835 | |
| 142 | R | A | -2.1006 | |
| 143 | L | A | -1.1245 | |
| 144 | I | A | -1.0144 | |
| 145 | E | A | -1.6709 | |
| 146 | V | A | -1.0114 | |
| 147 | S | A | -1.7205 | |
| 148 | V | A | 0.0000 | |
| 149 | E | A | -2.9217 | |
| 150 | E | A | -3.5171 | |
| 151 | N | A | -3.1251 | |
| 152 | H | A | -2.6360 | |
| 153 | P | A | -1.5342 | |
| 154 | F | A | 0.0000 | |
| 155 | T | A | -0.7745 | |
| 156 | L | A | 0.0000 | |
| 157 | R | A | -1.8964 | |
| 158 | A | A | -1.1556 | |
| 159 | P | A | -1.0732 | |
| 160 | I | A | -0.6614 | |
| 161 | Q | A | -1.0096 | |
| 162 | R | A | -0.5633 | |
| 163 | I | A | 0.4638 | |
| 164 | Y | A | 0.6804 | |
| 165 | G | A | -0.5175 | |
| 166 | V | A | -0.9027 | |
| 167 | R | A | -1.8974 | |
| 168 | Y | A | 0.0000 | |
| 169 | T | A | -0.5587 | |
| 170 | E | A | 0.0000 | |
| 171 | T | A | -0.4007 | |
| 172 | W | A | 0.0000 | |
| 173 | S | A | 0.0000 | |
| 174 | F | A | 0.0000 | |
| 175 | L | A | 0.0000 | |
| 176 | P | A | -0.6689 | |
| 177 | S | A | -0.0737 | |
| 178 | L | A | 0.1108 | |
| 179 | T | A | -0.3466 | |
| 180 | C | A | 0.0000 | |
| 181 | T | A | -0.6005 | |
| 182 | G | A | -1.6271 | |
| 183 | D | A | -2.2955 | |
| 184 | A | A | -1.4933 | |
| 185 | A | A | -0.7674 | |
| 186 | P | A | 0.0000 | |
| 187 | A | A | -0.8594 | |
| 188 | I | A | -0.4985 | |
| 189 | Q | A | 0.0000 | |
| 190 | H | A | -1.0898 | |
| 191 | I | A | 0.0000 | |
| 192 | C | A | -0.4146 | |
| 193 | L | A | -0.2994 | |
| 194 | K | A | -0.8992 | |
| 195 | H | A | -1.2441 | |
| 196 | T | A | -0.3625 | |
| 197 | T | A | -0.1155 | |
| 198 | C | A | -0.1343 | |
| 199 | F | A | -0.3924 | |
| 200 | Q | A | -1.2386 | |
| 201 | D | A | 0.0000 | |
| 202 | V | A | 0.0000 | |
| 203 | V | A | 0.0000 | |
| 204 | V | A | 0.0000 | |
| 205 | D | A | 0.0000 | |
| 206 | V | A | -2.3563 | |
| 207 | D | A | -2.9721 | |
| 208 | C | A | 0.0000 | |
| 209 | A | A | -2.3878 | |
| 210 | E | A | -3.3724 | |
| 211 | N | A | -2.9297 | |
| 212 | T | A | -2.3867 | |
| 213 | K | A | -2.9075 | |
| 214 | E | A | -2.1820 | |
| 215 | D | A | -1.4597 | |
| 216 | Q | A | -1.4864 | |
| 217 | L | A | 0.0000 | |
| 218 | A | A | 0.0000 | |
| 219 | E | A | -0.0800 | |
| 220 | I | A | 0.0000 | |
| 221 | S | A | 0.3324 | |
| 222 | Y | A | 0.0000 | |
| 223 | R | A | -2.2359 | |
| 224 | F | A | -1.7725 | |
| 225 | Q | A | -2.3434 | |
| 226 | G | A | -2.4470 | |
| 227 | K | A | -2.9950 | |
| 228 | K | A | -3.6335 | |
| 229 | E | A | -3.0765 | |
| 230 | A | A | -2.1972 | |
| 231 | D | A | -3.0255 | |
| 232 | Q | A | 0.0000 | |
| 233 | P | A | -0.5825 | |
| 234 | W | A | 0.7347 | |
| 235 | I | A | 2.5331 | |
| 236 | V | A | 1.7546 | |
| 237 | V | A | 1.5880 | |
| 238 | N | A | -0.4296 | |
| 239 | T | A | -0.5175 | |
| 240 | S | A | -1.0259 | |
| 241 | T | A | -1.3242 | |
| 242 | L | A | -1.4204 | |
| 243 | F | A | 0.0000 | |
| 244 | D | A | -3.4249 | |
| 245 | E | A | -2.8884 | |
| 246 | L | A | -1.9484 | |
| 247 | E | A | -3.0187 | |
| 248 | L | A | -2.4962 | |
| 249 | D | A | -2.6797 | |
| 250 | P | A | -1.9507 | |
| 251 | P | A | -1.7417 | |
| 252 | E | A | -2.1918 | |
| 253 | I | A | 0.0000 | |
| 254 | E | A | -1.1851 | |
| 255 | P | A | 0.0000 | |
| 256 | G | A | 0.0000 | |
| 257 | V | A | -1.2411 | |
| 258 | L | A | 0.0000 | |
| 259 | K | A | -1.6638 | |
| 260 | V | A | 0.0000 | |
| 261 | L | A | -0.7090 | |
| 262 | R | A | -2.7512 | |
| 263 | T | A | 0.0000 | |
| 264 | E | A | -2.4703 | |
| 265 | K | A | -2.0092 | |
| 266 | Q | A | -0.7406 | |
| 267 | Y | A | 0.0000 | |
| 268 | L | A | 0.0000 | |
| 269 | G | A | 0.0000 | |
| 270 | V | A | 0.0000 | |
| 271 | Y | A | 0.0000 | |
| 272 | I | A | 0.0000 | |
| 273 | W | A | 0.0000 | |
| 274 | N | A | 0.0000 | |
| 275 | M | A | 0.0000 | |
| 276 | R | A | -1.1884 | |
| 277 | G | A | 0.0000 | |
| 278 | S | A | -1.8716 | |
| 279 | D | A | -1.8819 | |
| 280 | G | A | -1.5196 | |
| 281 | T | A | -1.0446 | |
| 282 | S | A | -1.0464 | |
| 283 | T | A | -0.9940 | |
| 284 | Y | A | 0.0000 | |
| 285 | A | A | 0.0000 | |
| 286 | T | A | 0.0000 | |
| 287 | F | A | 0.0000 | |
| 288 | L | A | 0.0000 | |
| 289 | V | A | 0.0000 | |
| 290 | T | A | -1.5371 | |
| 291 | W | A | -2.0667 | |
| 292 | K | A | -3.0807 | |
| 293 | G | A | -2.7472 | |
| 294 | D | A | -3.5714 | |
| 295 | E | A | -4.2780 | |
| 296 | K | A | -3.7167 | |
| 297 | T | A | -2.8148 | |
| 298 | R | A | -3.0707 | |
| 299 | N | A | -2.5028 | |
| 300 | P | A | -1.2333 | |
| 301 | T | A | -1.1125 | |
| 302 | P | A | -0.6651 | |
| 303 | A | A | -0.5502 | |
| 304 | V | A | 0.0000 | |
| 305 | T | A | -0.3202 | |
| 306 | P | A | 0.0000 | |
| 307 | Q | A | -0.2451 | |
| 308 | P | A | -0.6478 | |
| 309 | R | A | -1.3906 | |
| 310 | G | A | -1.3453 | |
| 311 | A | A | -1.3845 | |
| 312 | E | A | -1.6422 | |
| 313 | F | A | -1.2009 | |
| 314 | H | A | -1.5316 | |
| 315 | M | A | -0.2862 | |
| 316 | W | A | 0.4181 | |
| 317 | N | A | 0.4453 | |
| 318 | Y | A | 0.7519 | |
| 319 | H | A | -0.4367 | |
| 320 | S | A | -0.1447 | |
| 321 | H | A | 0.6045 | |
| 322 | V | A | 1.3451 | |
| 323 | F | A | 0.0000 | |
| 324 | S | A | 0.2581 | |
| 325 | V | A | 0.7062 | |
| 326 | G | A | -0.8502 | |
| 327 | D | A | -1.0558 | |
| 328 | T | A | -0.7000 | |
| 329 | F | A | -0.4475 | |
| 330 | S | A | -0.2309 | |
| 331 | L | A | 0.0000 | |
| 332 | A | A | -0.4013 | |
| 333 | M | A | 0.0000 | |
| 334 | H | A | -1.0399 | |
| 335 | L | A | -0.9402 | |
| 336 | Q | A | -1.6970 | |
| 337 | Y | A | -1.8524 | |
| 338 | K | A | -2.7339 | |
| 339 | I | A | 0.0000 | |
| 340 | H | A | -1.7663 | |
| 341 | E | A | -2.0564 | |
| 342 | A | A | -1.8092 | |
| 343 | P | A | -2.2438 | |
| 344 | F | A | 0.0000 | |
| 345 | D | A | -2.1901 | |
| 346 | L | A | 0.0000 | |
| 347 | L | A | 0.0124 | |
| 348 | L | A | 0.0000 | |
| 349 | E | A | 0.0000 | |
| 350 | W | A | 0.0000 | |
| 351 | L | A | 0.0000 | |
| 352 | Y | A | 0.0000 | |
| 353 | V | A | -0.2988 | |
| 354 | P | A | -0.4261 | |
| 355 | I | A | -0.4520 | |
| 356 | D | A | -1.0454 | |
| 357 | P | A | -1.1493 | |
| 358 | T | A | -0.6831 | |
| 359 | C | A | 0.0000 | |
| 360 | Q | A | -1.5620 | |
| 361 | P | A | -1.0539 | |
| 362 | M | A | 0.0000 | |
| 363 | R | A | -1.3041 | |
| 364 | L | A | 0.0000 | |
| 365 | Y | A | 0.0000 | |
| 366 | S | A | -0.6862 | |
| 367 | T | A | -0.3446 | |
| 368 | C | A | 0.0000 | |
| 369 | L | A | 0.0000 | |
| 370 | Y | A | 0.4082 | |
| 371 | H | A | 0.0682 | |
| 372 | P | A | -0.4114 | |
| 373 | N | A | -1.0095 | |
| 374 | A | A | 0.0000 | |
| 375 | P | A | -0.4560 | |
| 376 | Q | A | -0.3026 | |
| 377 | C | A | 0.0000 | |
| 378 | L | A | -0.0321 | |
| 379 | S | A | -0.2124 | |
| 380 | H | A | -0.7080 | |
| 381 | M | A | -0.0783 | |
| 382 | N | A | -0.5347 | |
| 383 | S | A | -0.4294 | |
| 384 | G | A | -0.8085 | |
| 385 | C | A | -0.6167 | |
| 386 | T | A | 0.0000 | |
| 387 | F | A | 0.0000 | |
| 388 | T | A | 0.0000 | |
| 389 | S | A | 0.0000 | |
| 390 | P | A | -0.5821 | |
| 391 | H | A | -0.9526 | |
| 392 | L | A | -0.0192 | |
| 393 | A | A | -0.6720 | |
| 394 | Q | A | -1.6324 | |
| 395 | R | A | -2.3747 | |
| 396 | V | A | 0.0000 | |
| 397 | A | A | 0.0000 | |
| 398 | S | A | -0.4059 | |
| 399 | T | A | 0.0000 | |
| 400 | V | A | 0.5024 | |
| 401 | Y | A | 0.0000 | |
| 402 | Q | A | -1.9063 | |
| 403 | N | A | -2.6149 | |
| 404 | C | A | 0.0000 | |
| 405 | E | A | -3.0934 | |
| 406 | H | A | -2.4263 | |
| 407 | A | A | -2.3846 | |
| 408 | D | A | -2.7768 | |
| 409 | N | A | -1.7908 | |
| 410 | Y | A | 0.0000 | |
| 411 | T | A | -0.2164 | |
| 412 | A | A | 0.3612 | |
| 413 | Y | A | 0.7918 | |
| 414 | C | A | 0.4540 | |
| 415 | L | A | 1.6870 | |
| 416 | G | A | 0.9912 | |
| 417 | I | A | 1.0328 | |
| 418 | S | A | 0.1001 | |
| 419 | H | A | -1.0324 | |
| 420 | M | A | -0.7893 | |
| 421 | E | A | -1.3174 | |
| 422 | P | A | -0.6822 | |
| 423 | S | A | -0.5276 | |
| 424 | F | A | -0.4229 | |
| 425 | G | A | -0.5274 | |
| 426 | L | A | 0.0000 | |
| 427 | I | A | 0.5904 | |
| 428 | L | A | -0.3160 | |
| 429 | H | A | -1.3307 | |
| 430 | D | A | -2.2068 | |
| 431 | G | A | -0.9198 | |
| 432 | G | A | 0.0000 | |
| 433 | T | A | -0.8839 | |
| 434 | T | A | 0.0000 | |
| 435 | L | A | 0.0000 | |
| 436 | K | A | -0.2424 | |
| 437 | F | A | 0.0000 | |
| 438 | V | A | -0.5242 | |
| 439 | D | A | -1.7434 | |
| 440 | T | A | 0.0000 | |
| 441 | P | A | -0.6089 | |
| 442 | E | A | -1.0206 | |
| 443 | S | A | -0.4027 | |
| 444 | L | A | -0.1034 | |
| 445 | S | A | 0.0000 | |
| 446 | G | A | 0.0000 | |
| 447 | L | A | 0.0000 | |
| 448 | Y | A | 0.0000 | |
| 449 | V | A | 0.0000 | |
| 450 | F | A | 0.0000 | |
| 451 | V | A | 0.0000 | |
| 452 | V | A | 0.0000 | |
| 453 | Y | A | -0.3942 | |
| 454 | F | A | 0.0000 | |
| 455 | N | A | -2.0068 | |
| 456 | G | A | -1.3862 | |
| 457 | H | A | -1.3201 | |
| 458 | V | A | -0.3233 | |
| 459 | E | A | -0.9105 | |
| 460 | A | A | -0.2309 | |
| 461 | V | A | 0.3775 | |
| 462 | A | A | 0.0000 | |
| 463 | Y | A | 0.0000 | |
| 464 | T | A | 0.0000 | |
| 465 | V | A | 0.0000 | |
| 466 | V | A | 0.0000 | |
| 467 | S | A | 0.0000 | |
| 468 | T | A | 0.0000 | |
| 469 | V | A | 1.5050 | |
| 470 | D | A | -0.8773 | |
| 471 | H | A | -0.4458 | |
| 472 | F | A | 0.5222 | |
| 473 | V | A | 0.0000 | |
| 474 | N | A | -1.2921 | |
| 475 | A | A | 0.0000 | |
| 476 | I | A | -1.0479 | |
| 477 | E | A | -2.2106 | |
| 478 | E | A | -2.0674 | |
| 479 | R | A | -2.3704 | |
| 480 | G | A | -1.0106 | |
| 481 | F | A | 0.1204 | |
| 482 | P | A | 0.0000 | |
| 483 | P | A | -0.4267 | |
| 484 | T | A | -0.5201 | |
| 485 | A | A | -0.6028 | |
| 486 | G | A | -1.1506 | |
| 487 | Q | A | -1.6191 | |
| 488 | P | A | -1.0915 | |
| 489 | P | A | -0.7640 | |
| 490 | A | A | -0.6463 | |
| 491 | T | A | -0.7815 | |
| 492 | T | A | -1.2919 | |
| 493 | K | A | -2.6586 | |
| 494 | P | A | -2.1613 | |
| 495 | K | A | -2.6283 | |
| 496 | E | A | -2.0836 | |
| 497 | I | A | 0.7582 | |
| 498 | T | A | 0.2451 | |
| 499 | P | A | 0.4622 | |
| 500 | V | A | 1.1918 | |
| 501 | N | A | -0.7594 | |
| 502 | P | A | -0.6934 | |
| 503 | G | A | -0.8059 | |
| 504 | T | A | -0.3396 | |
| 505 | S | A | 0.0332 | |
| 506 | P | A | 0.5031 | |
| 507 | L | A | 2.0836 | |
| 508 | L | A | 1.7788 | |
| 509 | R | A | -0.2379 | |
| 510 | Y | A | 1.0987 | |
| 511 | L | A | 0.6961 | |
| 512 | E | A | -2.0446 | |
| 513 | H | A | -2.5284 | |
| 514 | H | A | -2.5100 | |
| 515 | H | A | -2.8917 | |
| 516 | H | A | -2.9655 | |
| 517 | H | A | -2.5508 | |
| 518 | H | A | -2.0575 |
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 partially or entirely disordered. Average score is recommended for pH analysis.
pH |
Average A4D Score |
Max A4D Score |
|||
| 4.0 | -0.6738 | 4.1444 | View | CSV | PDB |
| 4.5 | -0.7575 | 4.1114 | View | CSV | PDB |
| 5.0 | -0.8583 | 4.0639 | View | CSV | PDB |
| 5.5 | -0.9553 | 4.0098 | View | CSV | PDB |
| 6.0 | -1.0287 | 3.9576 | View | CSV | PDB |
| 6.5 | -1.0721 | 3.9157 | View | CSV | PDB |
| 7.0 | -1.0962 | 3.8903 | View | CSV | PDB |
| 7.5 | -1.1145 | 3.8788 | View | CSV | PDB |
| 8.0 | -1.1309 | 3.8745 | View | CSV | PDB |
| 8.5 | -1.1418 | 3.8731 | View | CSV | PDB |
| 9.0 | -1.1418 | 3.8727 | 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