| Chain sequence(s) |
A: MGTVNKPVVGVLMGFGIITGTLRITNPVRASVLRYDDFHIDEDKLDTNSVYEPYYHSDHAESSWVNRGESSRKAYDHNSPYIWPRNDYDGFLENAHEHHGVYNQGRGIDSGERLMQPTQMSAQEDLGDDTGIHVIPTLNGDDRHKIVNVDQRQYGDVFKGDLNPKPQGQRLIEVSVEENHPFTLRAPIQRIYGVRYTETWSFLPSLTCTGDAAPAIQHICLKHTTCFQDVVVDVDCAENTKEDQLAEISYRFQGKKEADQPWIVVNTSTLFDELELDPPEIEPGVLKVLRTEKQYLGVYIWNMRGSDGTSTYATFLVTWKGDEKTRNPTPAVTPQPRGAEFHMWNYHSHVFSVGDTFSLAMHLQYKIHEAPFDLLLEWLYVPIDPTCQPMRLYSTCLYHPNAPQCLSHMNSGCTFTSPHLAQRVASTVYQNCEHADNYTAYCLGISHMEPSFGLILHDGGTTLKFVDTPESLSGLYVFVVYFNGHVEAVAYTVVSTVDHFVNAIEERGFPPTAGQPPATTKPKEITPVNPGTSPLLRY
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 partially or entirely disordered. Average 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 (00:08:12)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/9a7e4db34964f54/tmp/folded.pdb (00:08:12)
[INFO] Main: Simulation completed successfully. (00:11:35)
|
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 | 0.7813 | |
| 2 | G | A | 0.4463 | |
| 3 | T | A | 0.5611 | |
| 4 | V | A | 0.6112 | |
| 5 | N | A | -1.0560 | |
| 6 | K | A | -1.4333 | |
| 7 | P | A | -0.1202 | |
| 8 | V | A | 1.9999 | |
| 9 | V | A | 2.5289 | |
| 10 | G | A | 2.1383 | |
| 11 | V | A | 3.1362 | |
| 12 | L | A | 2.7438 | |
| 13 | M | A | 2.4459 | |
| 14 | G | A | 1.2198 | |
| 15 | F | A | 2.4633 | |
| 16 | G | A | 1.9180 | |
| 17 | I | A | 3.1800 | |
| 18 | I | A | 2.9173 | |
| 19 | T | A | 1.2831 | |
| 20 | G | A | 0.3907 | |
| 21 | T | A | 0.4276 | |
| 22 | L | A | 1.0068 | |
| 23 | R | A | -0.3312 | |
| 24 | I | A | 1.1320 | |
| 25 | T | A | 0.1303 | |
| 26 | N | A | -0.9177 | |
| 27 | P | A | -0.2065 | |
| 28 | V | A | 0.4197 | |
| 29 | R | A | -1.0257 | |
| 30 | A | A | 0.1174 | |
| 31 | S | A | 0.5717 | |
| 32 | V | A | 1.8646 | |
| 33 | L | A | 1.3483 | |
| 34 | R | A | -0.8368 | |
| 35 | Y | A | -0.0230 | |
| 36 | D | A | -1.9843 | |
| 37 | D | A | -1.5409 | |
| 38 | F | A | 0.6348 | |
| 39 | H | A | -0.5790 | |
| 40 | I | A | 0.1797 | |
| 41 | D | A | -2.6215 | |
| 42 | E | A | -3.2808 | |
| 43 | D | A | -3.6059 | |
| 44 | K | A | -3.1367 | |
| 45 | L | A | -1.1073 | |
| 46 | D | A | -2.1278 | |
| 47 | T | A | -1.1638 | |
| 48 | N | A | -1.1216 | |
| 49 | S | A | -0.0623 | |
| 50 | V | A | 1.5217 | |
| 51 | Y | A | 1.1995 | |
| 52 | E | A | -0.4214 | |
| 53 | P | A | 0.2272 | |
| 54 | Y | A | 1.2621 | |
| 55 | Y | A | 0.9691 | |
| 56 | H | A | -0.7173 | |
| 57 | S | A | -1.3439 | |
| 58 | D | A | -2.6785 | |
| 59 | H | A | -2.4646 | |
| 60 | A | A | -1.8882 | |
| 61 | E | A | -2.3801 | |
| 62 | S | A | -1.0233 | |
| 63 | S | A | 0.2481 | |
| 64 | W | A | 1.6302 | |
| 65 | V | A | 1.3179 | |
| 66 | N | A | -1.2025 | |
| 67 | R | A | -2.7599 | |
| 68 | G | A | -2.7140 | |
| 69 | E | A | -2.7698 | |
| 70 | S | A | -1.8352 | |
| 71 | S | A | -1.9889 | |
| 72 | R | A | -2.8958 | |
| 73 | K | A | -2.5532 | |
| 74 | A | A | -1.2194 | |
| 75 | Y | A | -0.3574 | |
| 76 | D | A | -2.1245 | |
| 77 | H | A | -2.2291 | |
| 78 | N | A | -2.2197 | |
| 79 | S | A | -0.8690 | |
| 80 | P | A | 0.6532 | |
| 81 | Y | A | 2.2683 | |
| 82 | I | A | 2.8564 | |
| 83 | W | A | 1.7018 | |
| 84 | P | A | -0.4725 | |
| 85 | R | A | -2.3699 | |
| 86 | N | A | -2.8340 | |
| 87 | D | A | -2.8157 | |
| 88 | Y | A | -0.8280 | |
| 89 | D | A | -1.3444 | |
| 90 | G | A | -0.0272 | |
| 91 | F | A | 1.6928 | |
| 92 | L | A | 1.0235 | |
| 93 | E | A | -1.3333 | |
| 94 | N | A | -2.0040 | |
| 95 | A | A | -1.7960 | |
| 96 | H | A | -2.5820 | |
| 97 | E | A | -3.1782 | |
| 98 | H | A | -2.7488 | |
| 99 | H | A | -1.7648 | |
| 100 | G | A | -0.0723 | |
| 101 | V | A | 1.6900 | |
| 102 | Y | A | 1.1856 | |
| 103 | N | A | -0.8939 | |
| 104 | Q | A | -2.1489 | |
| 105 | G | A | -2.3248 | |
| 106 | R | A | -2.1469 | |
| 107 | G | A | -0.8395 | |
| 108 | I | A | 0.3764 | |
| 109 | D | A | -0.9873 | |
| 110 | S | A | -1.3248 | |
| 111 | G | A | -2.0778 | |
| 112 | E | A | -2.4948 | |
| 113 | R | A | -1.9568 | |
| 114 | L | A | 0.3126 | |
| 115 | M | A | 0.5120 | |
| 116 | Q | A | -0.7645 | |
| 117 | P | A | -0.6388 | |
| 118 | T | A | -0.7066 | |
| 119 | Q | A | -0.9701 | |
| 120 | M | A | 0.1899 | |
| 121 | S | A | -0.4936 | |
| 122 | A | A | -1.2164 | |
| 123 | Q | A | -2.2885 | |
| 124 | E | A | -2.9493 | |
| 125 | D | A | -2.5936 | |
| 126 | L | A | -0.7769 | |
| 127 | G | A | -1.9297 | |
| 128 | D | A | -2.8208 | |
| 129 | D | A | -2.7149 | |
| 130 | T | A | -1.8933 | |
| 131 | G | A | -1.5188 | |
| 132 | I | A | -0.7051 | |
| 133 | H | A | -1.0105 | |
| 134 | V | A | 0.1082 | |
| 135 | I | A | 0.0000 | |
| 136 | P | A | -0.6354 | |
| 137 | T | A | 0.0000 | |
| 138 | L | A | -1.1370 | |
| 139 | N | A | -1.5058 | |
| 140 | G | A | -1.8548 | |
| 141 | D | A | -3.0010 | |
| 142 | D | A | -2.9942 | |
| 143 | R | A | -2.3910 | |
| 144 | H | A | 0.0000 | |
| 145 | K | A | -0.6397 | |
| 146 | I | A | 0.0000 | |
| 147 | V | A | 0.0000 | |
| 148 | N | A | -0.6310 | |
| 149 | V | A | 0.0000 | |
| 150 | D | A | -2.1411 | |
| 151 | Q | A | -2.7401 | |
| 152 | R | A | -3.3627 | |
| 153 | Q | A | -2.6028 | |
| 154 | Y | A | -1.1372 | |
| 155 | G | A | -1.3617 | |
| 156 | D | A | -1.2047 | |
| 157 | V | A | 0.9171 | |
| 158 | F | A | 1.1542 | |
| 159 | K | A | -0.9979 | |
| 160 | G | A | -1.3129 | |
| 161 | D | A | -1.8653 | |
| 162 | L | A | -0.4746 | |
| 163 | N | A | -1.6641 | |
| 164 | P | A | -1.8049 | |
| 165 | K | A | -2.8030 | |
| 166 | P | A | -2.0048 | |
| 167 | Q | A | -1.9908 | |
| 168 | G | A | -1.4636 | |
| 169 | Q | A | 0.0000 | |
| 170 | R | A | -1.6941 | |
| 171 | L | A | -0.7623 | |
| 172 | I | A | -0.8518 | |
| 173 | E | A | -1.3881 | |
| 174 | V | A | -0.7728 | |
| 175 | S | A | -1.5666 | |
| 176 | V | A | 0.0000 | |
| 177 | E | A | -3.7625 | |
| 178 | E | A | -4.2238 | |
| 179 | N | A | -3.5760 | |
| 180 | H | A | -3.0712 | |
| 181 | P | A | -1.9327 | |
| 182 | F | A | 0.0000 | |
| 183 | T | A | -0.8320 | |
| 184 | L | A | 0.0000 | |
| 185 | R | A | -1.9828 | |
| 186 | A | A | 0.0000 | |
| 187 | P | A | -0.8829 | |
| 188 | I | A | -0.4932 | |
| 189 | Q | A | -0.8512 | |
| 190 | R | A | -0.3044 | |
| 191 | I | A | 0.7581 | |
| 192 | Y | A | 0.6890 | |
| 193 | G | A | -0.6952 | |
| 194 | V | A | -1.3095 | |
| 195 | R | A | -2.6149 | |
| 196 | Y | A | 0.0000 | |
| 197 | T | A | -0.9353 | |
| 198 | E | A | 0.0000 | |
| 199 | T | A | -0.8338 | |
| 200 | W | A | 0.0000 | |
| 201 | S | A | 0.0000 | |
| 202 | F | A | 0.0000 | |
| 203 | L | A | 0.0000 | |
| 204 | P | A | -0.6619 | |
| 205 | S | A | -0.1562 | |
| 206 | L | A | 0.4189 | |
| 207 | T | A | -0.0763 | |
| 208 | C | A | 0.0000 | |
| 209 | T | A | -0.5449 | |
| 210 | G | A | -1.5864 | |
| 211 | D | A | -2.2783 | |
| 212 | A | A | -1.4170 | |
| 213 | A | A | -0.7521 | |
| 214 | P | A | 0.0000 | |
| 215 | A | A | -0.5597 | |
| 216 | I | A | -0.2431 | |
| 217 | Q | A | 0.0000 | |
| 218 | H | A | -1.0218 | |
| 219 | I | A | 0.0000 | |
| 220 | C | A | -0.7807 | |
| 221 | L | A | -0.9868 | |
| 222 | K | A | -2.0604 | |
| 223 | H | A | -1.7339 | |
| 224 | T | A | -0.8718 | |
| 225 | T | A | -0.5764 | |
| 226 | C | A | -0.7160 | |
| 227 | F | A | -0.9056 | |
| 228 | Q | A | -1.1945 | |
| 229 | D | A | 0.0000 | |
| 230 | V | A | 0.0000 | |
| 231 | V | A | 0.0000 | |
| 232 | V | A | 0.0000 | |
| 233 | D | A | 0.0000 | |
| 234 | V | A | -1.5587 | |
| 235 | D | A | -2.6619 | |
| 236 | C | A | 0.0000 | |
| 237 | A | A | -2.0381 | |
| 238 | E | A | -3.2039 | |
| 239 | N | A | -2.8024 | |
| 240 | T | A | -2.2667 | |
| 241 | K | A | -2.8783 | |
| 242 | E | A | -2.0143 | |
| 243 | D | A | -1.8722 | |
| 244 | Q | A | -2.0822 | |
| 245 | L | A | 0.0000 | |
| 246 | A | A | 0.0000 | |
| 247 | E | A | -0.3819 | |
| 248 | I | A | 0.0000 | |
| 249 | S | A | 0.0000 | |
| 250 | Y | A | 0.0000 | |
| 251 | R | A | -2.5238 | |
| 252 | F | A | 0.0000 | |
| 253 | Q | A | -2.6816 | |
| 254 | G | A | -2.2225 | |
| 255 | K | A | -3.7949 | |
| 256 | K | A | -4.1602 | |
| 257 | E | A | -3.9411 | |
| 258 | A | A | -2.6354 | |
| 259 | D | A | -3.4864 | |
| 260 | Q | A | 0.0000 | |
| 261 | P | A | -0.7449 | |
| 262 | W | A | 0.6140 | |
| 263 | I | A | 2.5033 | |
| 264 | V | A | 1.8083 | |
| 265 | V | A | 1.4571 | |
| 266 | N | A | -0.5950 | |
| 267 | T | A | -0.6228 | |
| 268 | S | A | -1.3286 | |
| 269 | T | A | -1.5756 | |
| 270 | L | A | -1.5162 | |
| 271 | F | A | 0.0000 | |
| 272 | D | A | -3.5666 | |
| 273 | E | A | -3.0092 | |
| 274 | L | A | -2.1620 | |
| 275 | E | A | -3.2543 | |
| 276 | L | A | 0.0000 | |
| 277 | D | A | -3.0744 | |
| 278 | P | A | -2.1703 | |
| 279 | P | A | -1.7707 | |
| 280 | E | A | -2.3334 | |
| 281 | I | A | -1.3554 | |
| 282 | E | A | -1.6318 | |
| 283 | P | A | -0.7171 | |
| 284 | G | A | 0.0000 | |
| 285 | V | A | 0.0000 | |
| 286 | L | A | 0.0000 | |
| 287 | K | A | -1.7300 | |
| 288 | V | A | 0.0000 | |
| 289 | L | A | -1.4457 | |
| 290 | R | A | -3.3125 | |
| 291 | T | A | 0.0000 | |
| 292 | E | A | -3.1903 | |
| 293 | K | A | -2.3954 | |
| 294 | Q | A | -1.0690 | |
| 295 | Y | A | 0.0000 | |
| 296 | L | A | 0.0000 | |
| 297 | G | A | 0.0000 | |
| 298 | V | A | 0.0000 | |
| 299 | Y | A | 0.0000 | |
| 300 | I | A | 0.0000 | |
| 301 | W | A | 0.0000 | |
| 302 | N | A | -0.9158 | |
| 303 | M | A | 0.0000 | |
| 304 | R | A | -2.4745 | |
| 305 | G | A | -2.1668 | |
| 306 | S | A | -2.1928 | |
| 307 | D | A | -2.2342 | |
| 308 | G | A | -1.7194 | |
| 309 | T | A | -1.3983 | |
| 310 | S | A | -1.4510 | |
| 311 | T | A | -1.0866 | |
| 312 | Y | A | -0.6936 | |
| 313 | A | A | 0.0000 | |
| 314 | T | A | 0.0000 | |
| 315 | F | A | 0.0000 | |
| 316 | L | A | 0.0000 | |
| 317 | V | A | 0.0000 | |
| 318 | T | A | -1.4455 | |
| 319 | W | A | -2.1877 | |
| 320 | K | A | -3.1514 | |
| 321 | G | A | -2.7360 | |
| 322 | D | A | -3.0066 | |
| 323 | E | A | -3.1599 | |
| 324 | K | A | -3.3060 | |
| 325 | T | A | -2.3653 | |
| 326 | R | A | -2.8667 | |
| 327 | N | A | -2.4243 | |
| 328 | P | A | -1.2492 | |
| 329 | T | A | -1.1050 | |
| 330 | P | A | -0.7288 | |
| 331 | A | A | -0.4435 | |
| 332 | V | A | 0.0000 | |
| 333 | T | A | -0.5717 | |
| 334 | P | A | 0.0000 | |
| 335 | Q | A | -0.9838 | |
| 336 | P | A | -1.7130 | |
| 337 | R | A | -1.7842 | |
| 338 | G | A | -1.7940 | |
| 339 | A | A | -2.0201 | |
| 340 | E | A | -2.6883 | |
| 341 | F | A | -1.7322 | |
| 342 | H | A | -1.7266 | |
| 343 | M | A | -0.4031 | |
| 344 | W | A | 0.2404 | |
| 345 | N | A | 0.2912 | |
| 346 | Y | A | 0.6669 | |
| 347 | H | A | -0.5147 | |
| 348 | S | A | -0.1792 | |
| 349 | H | A | 0.5882 | |
| 350 | V | A | 1.2576 | |
| 351 | F | A | 0.0000 | |
| 352 | S | A | 0.2621 | |
| 353 | V | A | 0.4731 | |
| 354 | G | A | -0.8591 | |
| 355 | D | A | -0.8406 | |
| 356 | T | A | -0.6673 | |
| 357 | F | A | -0.4203 | |
| 358 | S | A | -0.1929 | |
| 359 | L | A | 0.0000 | |
| 360 | A | A | -0.3843 | |
| 361 | M | A | 0.0000 | |
| 362 | H | A | -1.0891 | |
| 363 | L | A | -0.8417 | |
| 364 | Q | A | -1.9294 | |
| 365 | Y | A | -2.2003 | |
| 366 | K | A | -3.0905 | |
| 367 | I | A | 0.0000 | |
| 368 | H | A | -2.1993 | |
| 369 | E | A | -2.1486 | |
| 370 | A | A | -1.8961 | |
| 371 | P | A | -2.3713 | |
| 372 | F | A | 0.0000 | |
| 373 | D | A | -2.8578 | |
| 374 | L | A | 0.0000 | |
| 375 | L | A | -0.1744 | |
| 376 | L | A | 0.0000 | |
| 377 | E | A | 0.0000 | |
| 378 | W | A | 0.0000 | |
| 379 | L | A | 0.0000 | |
| 380 | Y | A | 0.0000 | |
| 381 | V | A | 0.0000 | |
| 382 | P | A | -0.5636 | |
| 383 | I | A | -0.5494 | |
| 384 | D | A | -1.2902 | |
| 385 | P | A | -1.1855 | |
| 386 | T | A | -0.6723 | |
| 387 | C | A | 0.0000 | |
| 388 | Q | A | -1.5498 | |
| 389 | P | A | -1.3161 | |
| 390 | M | A | 0.0000 | |
| 391 | R | A | -1.1217 | |
| 392 | L | A | 0.0000 | |
| 393 | Y | A | 0.0000 | |
| 394 | S | A | 0.0000 | |
| 395 | T | A | -0.3329 | |
| 396 | C | A | 0.0000 | |
| 397 | L | A | 0.0000 | |
| 398 | Y | A | 0.2766 | |
| 399 | H | A | -0.4762 | |
| 400 | P | A | -0.7745 | |
| 401 | N | A | -1.4623 | |
| 402 | A | A | -0.6464 | |
| 403 | P | A | -0.5145 | |
| 404 | Q | A | -0.4394 | |
| 405 | C | A | 0.0000 | |
| 406 | L | A | -0.0665 | |
| 407 | S | A | -0.4044 | |
| 408 | H | A | -1.0374 | |
| 409 | M | A | -0.8141 | |
| 410 | N | A | -1.6389 | |
| 411 | S | A | -1.1611 | |
| 412 | G | A | -1.0750 | |
| 413 | C | A | -0.9900 | |
| 414 | T | A | 0.0000 | |
| 415 | F | A | 0.0000 | |
| 416 | T | A | 0.0000 | |
| 417 | S | A | 0.0000 | |
| 418 | P | A | 0.0000 | |
| 419 | H | A | -1.0418 | |
| 420 | L | A | -0.1590 | |
| 421 | A | A | -0.7674 | |
| 422 | Q | A | -1.6295 | |
| 423 | R | A | -2.1404 | |
| 424 | V | A | 0.0000 | |
| 425 | A | A | 0.0000 | |
| 426 | S | A | 0.0000 | |
| 427 | T | A | 0.0000 | |
| 428 | V | A | -0.0061 | |
| 429 | Y | A | 0.0000 | |
| 430 | Q | A | -2.2110 | |
| 431 | N | A | -2.7578 | |
| 432 | C | A | 0.0000 | |
| 433 | E | A | -3.0321 | |
| 434 | H | A | -2.0955 | |
| 435 | A | A | -2.2419 | |
| 436 | D | A | -2.6354 | |
| 437 | N | A | -1.6090 | |
| 438 | Y | A | 0.0000 | |
| 439 | T | A | -0.1975 | |
| 440 | A | A | 0.4226 | |
| 441 | Y | A | 0.9040 | |
| 442 | C | A | 0.5523 | |
| 443 | L | A | 1.5695 | |
| 444 | G | A | 0.7818 | |
| 445 | I | A | 0.6709 | |
| 446 | S | A | -0.0906 | |
| 447 | H | A | -1.0914 | |
| 448 | M | A | -0.7046 | |
| 449 | E | A | -1.2487 | |
| 450 | P | A | -0.6669 | |
| 451 | S | A | -0.5344 | |
| 452 | F | A | -0.4029 | |
| 453 | G | A | -0.5310 | |
| 454 | L | A | 0.0000 | |
| 455 | I | A | 0.7808 | |
| 456 | L | A | -0.1936 | |
| 457 | H | A | -1.2233 | |
| 458 | D | A | -2.1899 | |
| 459 | G | A | -0.9852 | |
| 460 | G | A | 0.0000 | |
| 461 | T | A | -0.8507 | |
| 462 | T | A | 0.0000 | |
| 463 | L | A | 0.0000 | |
| 464 | K | A | -0.1625 | |
| 465 | F | A | 0.0000 | |
| 466 | V | A | -0.5049 | |
| 467 | D | A | -1.7513 | |
| 468 | T | A | 0.0000 | |
| 469 | P | A | -0.7866 | |
| 470 | E | A | -1.0870 | |
| 471 | S | A | -0.6028 | |
| 472 | L | A | 0.0000 | |
| 473 | S | A | -0.2262 | |
| 474 | G | A | 0.0000 | |
| 475 | L | A | 0.0000 | |
| 476 | Y | A | 0.0000 | |
| 477 | V | A | 0.0000 | |
| 478 | F | A | 0.0000 | |
| 479 | V | A | 0.0000 | |
| 480 | V | A | 0.0000 | |
| 481 | Y | A | -0.7520 | |
| 482 | F | A | 0.0000 | |
| 483 | N | A | -2.2342 | |
| 484 | G | A | -1.5922 | |
| 485 | H | A | -1.5044 | |
| 486 | V | A | -0.6155 | |
| 487 | E | A | -1.4347 | |
| 488 | A | A | -0.6488 | |
| 489 | V | A | 0.1373 | |
| 490 | A | A | 0.0000 | |
| 491 | Y | A | 0.0000 | |
| 492 | T | A | 0.0000 | |
| 493 | V | A | 0.0000 | |
| 494 | V | A | 0.0000 | |
| 495 | S | A | 0.0000 | |
| 496 | T | A | 0.0000 | |
| 497 | V | A | 1.3104 | |
| 498 | D | A | -0.7954 | |
| 499 | H | A | -0.4944 | |
| 500 | F | A | 0.3342 | |
| 501 | V | A | 0.0000 | |
| 502 | N | A | -1.3964 | |
| 503 | A | A | -0.9223 | |
| 504 | I | A | -0.7607 | |
| 505 | E | A | -1.6237 | |
| 506 | E | A | -1.8854 | |
| 507 | R | A | -2.2184 | |
| 508 | G | A | -0.8650 | |
| 509 | F | A | 0.2555 | |
| 510 | P | A | 0.0000 | |
| 511 | P | A | -0.3772 | |
| 512 | T | A | -0.5391 | |
| 513 | A | A | -0.5963 | |
| 514 | G | A | -1.1360 | |
| 515 | Q | A | -1.6216 | |
| 516 | P | A | -1.0791 | |
| 517 | P | A | -0.7590 | |
| 518 | A | A | -0.6165 | |
| 519 | T | A | -0.7466 | |
| 520 | T | A | -1.2755 | |
| 521 | K | A | -2.6428 | |
| 522 | P | A | -2.1575 | |
| 523 | K | A | -2.6386 | |
| 524 | E | A | -2.0855 | |
| 525 | I | A | 0.7744 | |
| 526 | T | A | 0.3188 | |
| 527 | P | A | 0.4988 | |
| 528 | V | A | 1.1751 | |
| 529 | N | A | -0.7571 | |
| 530 | P | A | -0.7117 | |
| 531 | G | A | -0.8383 | |
| 532 | T | A | -0.5062 | |
| 533 | S | A | 0.0953 | |
| 534 | P | A | 0.5067 | |
| 535 | L | A | 1.7597 | |
| 536 | L | A | 1.6427 | |
| 537 | R | A | -0.0717 | |
| 538 | Y | A | 0.9755 |
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 | -0.385 | 5.5573 | View | CSV | PDB |
| 4.5 | -0.4677 | 5.5573 | View | CSV | PDB |
| 5.0 | -0.5682 | 5.5573 | View | CSV | PDB |
| 5.5 | -0.6675 | 5.5573 | View | CSV | PDB |
| 6.0 | -0.7472 | 5.5573 | View | CSV | PDB |
| 6.5 | -0.8009 | 5.5573 | View | CSV | PDB |
| 7.0 | -0.8357 | 5.5573 | View | CSV | PDB |
| 7.5 | -0.8607 | 5.5573 | View | CSV | PDB |
| 8.0 | -0.879 | 5.5573 | View | CSV | PDB |
| 8.5 | -0.8886 | 5.5573 | View | CSV | PDB |
| 9.0 | -0.8853 | 5.5573 | 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