| Chain sequence(s) |
A: MGLLVTILVILLIVTSSSSTIHQVTMTEGAALLVDGDGIDPPLNKTSHFLRGWTFLETPKGCTGEVSVLKVCIDRGVCPDDIVINKRCGHKMLETPLALAEFGISNSSLIRTKDVYFVNKTVFPILTPEKSGLGIQGATTNISGIYTLHEHGDNGWSHQSTFFVTVKAKHPGPSLTPAPVHLITPHRHGAHFHVRNYHSHVYIPGDKFLLEMHLKSDIYDPEFSATIDWYFMETDIKCPVFRIYETCIFHPHAASCLHPEDPSCSFTSPLRAVSLINRFYPKCDHRYADWTSRCINTPSINHMPYIEQPANNVDLKFINVPTNASGLYVFILRYNGHPEEWTYTLISTGAKFLNVIRDLTRPRLGSHQIETDISTSSQSPTTETPRNIHITWARRYLKVIIGIICVAGILLIVISITCYIRFRHMRYKPYEVINPFPAVYTSIPSNDPDELYFERIASNDEESADDSFDESDEEEPLNNHHISTTQHTDINPEKSGSGYSVWFRDTEDTSPQPLHAPPDYSRVVKRLKSILK
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 | LA33A,LA32A,SA16A,IA13A,PA96A,LA93A |
| Energy difference between WT (input) and mutated protein (by FoldX) | 3.94846 kcal/mol
CAUTION: Your mutation/s can destabilize the protein structure |
| 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. (00:00:03)
[INFO] FoldX: Starting FoldX energy minimization (00:00:03)
[INFO] FoldX: Building mutant model (00:04:17)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:04:31)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/4dc04ba56164470/tmp/folded.pdb (00:04:31)
[INFO] Main: Simulation completed successfully. (00:08:38)
|
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 | 1.4150 | |
| 2 | G | A | 1.4602 | |
| 3 | L | A | 2.8973 | |
| 4 | L | A | 3.4279 | |
| 5 | V | A | 3.7583 | |
| 6 | T | A | 3.2093 | |
| 7 | I | A | 4.3398 | |
| 8 | L | A | 4.4865 | |
| 9 | V | A | 4.8743 | |
| 10 | I | A | 4.9226 | |
| 11 | L | A | 4.4282 | |
| 12 | L | A | 3.8012 | |
| 13 | A | A | 2.5134 | mutated: IA13A |
| 14 | V | A | 2.5004 | |
| 15 | T | A | 0.9977 | |
| 16 | A | A | 0.4025 | mutated: SA16A |
| 17 | S | A | -0.2057 | |
| 18 | S | A | -0.4833 | |
| 19 | S | A | -0.9412 | |
| 20 | T | A | -1.2137 | |
| 21 | I | A | -1.0444 | |
| 22 | H | A | -1.3128 | |
| 23 | Q | A | -1.3728 | |
| 24 | V | A | -0.5373 | |
| 25 | T | A | -0.6794 | |
| 26 | M | A | 0.0000 | |
| 27 | T | A | -1.7172 | |
| 28 | E | A | -2.1419 | |
| 29 | G | A | -1.5987 | |
| 30 | A | A | -0.7901 | |
| 31 | A | A | -0.7137 | |
| 32 | A | A | -0.3627 | mutated: LA32A |
| 33 | A | A | -0.1797 | mutated: LA33A |
| 34 | V | A | -0.9173 | |
| 35 | D | A | -2.4798 | |
| 36 | G | A | 0.0000 | |
| 37 | D | A | -2.5645 | |
| 38 | G | A | -1.6104 | |
| 39 | I | A | -0.2015 | |
| 40 | D | A | -1.4990 | |
| 41 | P | A | 0.0000 | |
| 42 | P | A | -1.1158 | |
| 43 | L | A | -1.4590 | |
| 44 | N | A | -2.1340 | |
| 45 | K | A | -2.7274 | |
| 46 | T | A | 0.0000 | |
| 47 | S | A | -1.6555 | |
| 48 | H | A | -1.7544 | |
| 49 | F | A | 0.0000 | |
| 50 | L | A | -0.7781 | |
| 51 | R | A | 0.0000 | |
| 52 | G | A | 0.0000 | |
| 53 | W | A | 0.0000 | |
| 54 | T | A | 0.0000 | |
| 55 | F | A | 0.0000 | |
| 56 | L | A | -0.7059 | |
| 57 | E | A | -1.8469 | |
| 58 | T | A | -1.6878 | |
| 59 | P | A | -1.9558 | |
| 60 | K | A | -2.4732 | |
| 61 | G | A | -1.5469 | |
| 62 | C | A | 0.0000 | |
| 63 | T | A | -1.4375 | |
| 64 | G | A | -0.9602 | |
| 65 | E | A | -1.8678 | |
| 66 | V | A | 0.0000 | |
| 67 | S | A | -0.2196 | |
| 68 | V | A | -0.5091 | |
| 69 | L | A | -0.3409 | |
| 70 | K | A | -0.9780 | |
| 71 | V | A | 0.1294 | |
| 72 | C | A | 0.5893 | |
| 73 | I | A | 1.3665 | |
| 74 | D | A | -0.4665 | |
| 75 | R | A | -1.6059 | |
| 76 | G | A | -0.5842 | |
| 77 | V | A | 0.6519 | |
| 78 | C | A | -0.0558 | |
| 79 | P | A | -0.8656 | |
| 80 | D | A | -2.4594 | |
| 81 | D | A | -1.9461 | |
| 82 | I | A | -0.3617 | |
| 83 | V | A | -0.1794 | |
| 84 | I | A | -0.7125 | |
| 85 | N | A | -1.9889 | |
| 86 | K | A | -3.2194 | |
| 87 | R | A | -3.4703 | |
| 88 | C | A | 0.0000 | |
| 89 | G | A | -2.3754 | |
| 90 | H | A | -2.7303 | |
| 91 | K | A | -3.0919 | |
| 92 | M | A | -1.6976 | |
| 93 | A | A | -1.2471 | mutated: LA93A |
| 94 | E | A | -1.2281 | |
| 95 | T | A | -0.7294 | |
| 96 | A | A | 0.2158 | mutated: PA96A |
| 97 | L | A | 0.0000 | |
| 98 | A | A | 0.0000 | |
| 99 | L | A | 0.1031 | |
| 100 | A | A | 0.0000 | |
| 101 | E | A | -1.4019 | |
| 102 | F | A | 0.0000 | |
| 103 | G | A | -0.4504 | |
| 104 | I | A | -0.5986 | |
| 105 | S | A | -0.7259 | |
| 106 | N | A | -1.4088 | |
| 107 | S | A | -0.8992 | |
| 108 | S | A | -0.7548 | |
| 109 | L | A | 0.0000 | |
| 110 | I | A | -0.0157 | |
| 111 | R | A | -1.1661 | |
| 112 | T | A | -1.4989 | |
| 113 | K | A | -2.3817 | |
| 114 | D | A | -1.8169 | |
| 115 | V | A | 0.5447 | |
| 116 | Y | A | 1.7956 | |
| 117 | F | A | 2.3448 | |
| 118 | V | A | 2.0477 | |
| 119 | N | A | -0.3400 | |
| 120 | K | A | -1.6964 | |
| 121 | T | A | 0.0000 | |
| 122 | V | A | 0.0000 | |
| 123 | F | A | 1.8454 | |
| 124 | P | A | 0.0000 | |
| 125 | I | A | 0.4135 | |
| 126 | L | A | 0.0000 | |
| 127 | T | A | -1.1951 | |
| 128 | P | A | -1.4857 | |
| 129 | E | A | -2.5100 | |
| 130 | K | A | -2.8608 | |
| 131 | S | A | 0.0000 | |
| 132 | G | A | 0.0000 | |
| 133 | L | A | 0.0000 | |
| 134 | G | A | 0.2927 | |
| 135 | I | A | 0.0000 | |
| 136 | Q | A | -1.3750 | |
| 137 | G | A | -1.4157 | |
| 138 | A | A | 0.0000 | |
| 139 | T | A | -1.3343 | |
| 140 | T | A | -1.5025 | |
| 141 | N | A | -1.4729 | |
| 142 | I | A | 0.0000 | |
| 143 | S | A | -0.9804 | |
| 144 | G | A | 0.0000 | |
| 145 | I | A | 0.0000 | |
| 146 | Y | A | 0.0000 | |
| 147 | T | A | -0.1260 | |
| 148 | L | A | 0.0000 | |
| 149 | H | A | 0.0000 | |
| 150 | E | A | 0.0000 | |
| 151 | H | A | -1.1307 | |
| 152 | G | A | 0.0000 | |
| 153 | D | A | -2.8355 | |
| 154 | N | A | -2.3540 | |
| 155 | G | A | -1.3666 | |
| 156 | W | A | -1.1620 | |
| 157 | S | A | -0.5909 | |
| 158 | H | A | 0.0000 | |
| 159 | Q | A | -0.6270 | |
| 160 | S | A | 0.0000 | |
| 161 | T | A | -0.7399 | |
| 162 | F | A | 0.0000 | |
| 163 | F | A | 0.0000 | |
| 164 | V | A | 0.0000 | |
| 165 | T | A | -0.8915 | |
| 166 | V | A | 0.0000 | |
| 167 | K | A | -2.6178 | |
| 168 | A | A | -2.4049 | |
| 169 | K | A | -3.0230 | |
| 170 | H | A | -2.4306 | |
| 171 | P | A | -1.6772 | |
| 172 | G | A | -1.0087 | |
| 173 | P | A | -0.3740 | |
| 174 | S | A | 0.1714 | |
| 175 | L | A | 1.1312 | |
| 176 | T | A | 0.3879 | |
| 177 | P | A | 0.1362 | |
| 178 | A | A | 0.1441 | |
| 179 | P | A | 0.4186 | |
| 180 | V | A | 1.5241 | |
| 181 | H | A | 0.5932 | |
| 182 | L | A | 1.4344 | |
| 183 | I | A | 1.1982 | |
| 184 | T | A | 0.2221 | |
| 185 | P | A | -0.2352 | |
| 186 | H | A | -2.0171 | |
| 187 | R | A | -2.4463 | |
| 188 | H | A | -2.3647 | |
| 189 | G | A | -2.0627 | |
| 190 | A | A | 0.0000 | |
| 191 | H | A | -2.2237 | |
| 192 | F | A | -1.8086 | |
| 193 | H | A | -2.1445 | |
| 194 | V | A | 0.0000 | |
| 195 | R | A | -2.3932 | |
| 196 | N | A | -0.9773 | |
| 197 | Y | A | 0.3673 | |
| 198 | H | A | -0.2237 | |
| 199 | S | A | 0.3214 | |
| 200 | H | A | 0.8302 | |
| 201 | V | A | 1.9169 | |
| 202 | Y | A | 0.0000 | |
| 203 | I | A | 1.4562 | |
| 204 | P | A | -0.3155 | |
| 205 | G | A | -1.3067 | |
| 206 | D | A | -1.4737 | |
| 207 | K | A | -2.0332 | |
| 208 | F | A | -0.7868 | |
| 209 | L | A | -0.0735 | |
| 210 | L | A | 0.0000 | |
| 211 | E | A | -1.0466 | |
| 212 | M | A | 0.0000 | |
| 213 | H | A | -2.0264 | |
| 214 | L | A | -1.8972 | |
| 215 | K | A | -2.8805 | |
| 216 | S | A | -2.1791 | |
| 217 | D | A | -2.4827 | |
| 218 | I | A | -2.0951 | |
| 219 | Y | A | -2.0368 | |
| 220 | D | A | -2.1075 | |
| 221 | P | A | -2.0480 | |
| 222 | E | A | -2.9997 | |
| 223 | F | A | 0.0000 | |
| 224 | S | A | -1.1823 | |
| 225 | A | A | 0.0000 | |
| 226 | T | A | -0.0296 | |
| 227 | I | A | 0.0000 | |
| 228 | D | A | 0.0000 | |
| 229 | W | A | 0.0000 | |
| 230 | Y | A | 0.0000 | |
| 231 | F | A | 0.0000 | |
| 232 | M | A | 0.0000 | |
| 233 | E | A | -1.8104 | |
| 234 | T | A | -0.8859 | |
| 235 | D | A | -0.4217 | |
| 236 | I | A | 0.7017 | |
| 237 | K | A | -0.9570 | |
| 238 | C | A | 0.0000 | |
| 239 | P | A | -0.3341 | |
| 240 | V | A | 0.2819 | |
| 241 | F | A | 0.0000 | |
| 242 | R | A | -0.4664 | |
| 243 | I | A | 0.0000 | |
| 244 | Y | A | -0.1656 | |
| 245 | E | A | -0.1185 | |
| 246 | T | A | 0.2324 | |
| 247 | C | A | 0.0000 | |
| 248 | I | A | 0.0000 | |
| 249 | F | A | 0.4894 | |
| 250 | H | A | -0.4141 | |
| 251 | P | A | -0.0717 | |
| 252 | H | A | -0.7267 | |
| 253 | A | A | -0.7776 | |
| 254 | A | A | -0.3366 | |
| 255 | S | A | -1.0924 | |
| 256 | C | A | 0.0000 | |
| 257 | L | A | 0.0625 | |
| 258 | H | A | -1.6963 | |
| 259 | P | A | 0.0000 | |
| 260 | E | A | -3.1733 | |
| 261 | D | A | -2.7115 | |
| 262 | P | A | -1.6151 | |
| 263 | S | A | -1.5441 | |
| 264 | C | A | -1.0172 | |
| 265 | S | A | 0.0000 | |
| 266 | F | A | 0.0000 | |
| 267 | T | A | 0.0000 | |
| 268 | S | A | 0.0000 | |
| 269 | P | A | 0.0000 | |
| 270 | L | A | 1.2896 | |
| 271 | R | A | 0.3884 | |
| 272 | A | A | 0.4174 | |
| 273 | V | A | 0.6796 | |
| 274 | S | A | 0.3484 | |
| 275 | L | A | 0.0000 | |
| 276 | I | A | 0.0000 | |
| 277 | N | A | -0.2284 | |
| 278 | R | A | 0.2400 | |
| 279 | F | A | 1.1315 | |
| 280 | Y | A | 0.0000 | |
| 281 | P | A | -0.5187 | |
| 282 | K | A | -2.1191 | |
| 283 | C | A | 0.0000 | |
| 284 | D | A | -2.3822 | |
| 285 | H | A | -2.5304 | |
| 286 | R | A | -2.4435 | |
| 287 | Y | A | -1.6867 | |
| 288 | A | A | -2.0041 | |
| 289 | D | A | -2.7126 | |
| 290 | W | A | 0.0000 | |
| 291 | T | A | 0.0000 | |
| 292 | S | A | -1.4202 | |
| 293 | R | A | -1.9420 | |
| 294 | C | A | -0.4475 | |
| 295 | I | A | 1.3320 | |
| 296 | N | A | 0.5091 | |
| 297 | T | A | 0.5550 | |
| 298 | P | A | 0.1119 | |
| 299 | S | A | -0.2360 | |
| 300 | I | A | -0.3653 | |
| 301 | N | A | -1.2285 | |
| 302 | H | A | -1.4906 | |
| 303 | M | A | -0.7832 | |
| 304 | P | A | -0.8685 | |
| 305 | Y | A | 0.0000 | |
| 306 | I | A | -1.2242 | |
| 307 | E | A | -1.5820 | |
| 308 | Q | A | -1.0058 | |
| 309 | P | A | -0.8383 | |
| 310 | A | A | -0.5127 | |
| 311 | N | A | -1.1876 | |
| 312 | N | A | -0.8290 | |
| 313 | V | A | 0.0000 | |
| 314 | D | A | -0.9428 | |
| 315 | L | A | 0.0000 | |
| 316 | K | A | -1.1716 | |
| 317 | F | A | 0.0000 | |
| 318 | I | A | -1.4837 | |
| 319 | N | A | -1.8576 | |
| 320 | V | A | 0.0000 | |
| 321 | P | A | -0.7754 | |
| 322 | T | A | -0.5544 | |
| 323 | N | A | -1.7111 | |
| 324 | A | A | 0.0000 | |
| 325 | S | A | 0.0000 | |
| 326 | G | A | 0.0000 | |
| 327 | L | A | 0.0000 | |
| 328 | Y | A | 0.0000 | |
| 329 | V | A | 0.0000 | |
| 330 | F | A | 0.0000 | |
| 331 | I | A | 0.0000 | |
| 332 | L | A | 0.0000 | |
| 333 | R | A | -1.0586 | |
| 334 | Y | A | 0.0000 | |
| 335 | N | A | -1.7720 | |
| 336 | G | A | -1.4289 | |
| 337 | H | A | -1.4645 | |
| 338 | P | A | -1.1465 | |
| 339 | E | A | -1.9609 | |
| 340 | E | A | -1.3295 | |
| 341 | W | A | 0.0000 | |
| 342 | T | A | 0.0000 | |
| 343 | Y | A | 0.0000 | |
| 344 | T | A | 0.0000 | |
| 345 | L | A | 0.0000 | |
| 346 | I | A | 0.0000 | |
| 347 | S | A | 0.0000 | |
| 348 | T | A | 0.0000 | |
| 349 | G | A | 0.4219 | |
| 350 | A | A | 0.2235 | |
| 351 | K | A | -0.0276 | |
| 352 | F | A | 0.9445 | |
| 353 | L | A | 0.0000 | |
| 354 | N | A | -0.3997 | |
| 355 | V | A | -0.0849 | |
| 356 | I | A | 0.4449 | |
| 357 | R | A | -0.4697 | |
| 358 | D | A | -0.2383 | |
| 359 | L | A | 0.7649 | |
| 360 | T | A | -0.6927 | |
| 361 | R | A | -1.9469 | |
| 362 | P | A | 0.0000 | |
| 363 | R | A | -2.6597 | |
| 364 | L | A | -1.3354 | |
| 365 | G | A | -1.7425 | |
| 366 | S | A | -1.2354 | |
| 367 | H | A | -1.7307 | |
| 368 | Q | A | -1.5475 | |
| 369 | I | A | 0.1606 | |
| 370 | E | A | -1.5586 | |
| 371 | T | A | -1.2335 | |
| 372 | D | A | -1.1964 | |
| 373 | I | A | 0.8509 | |
| 374 | S | A | -0.1467 | |
| 375 | T | A | -0.2968 | |
| 376 | S | A | -0.4723 | |
| 377 | S | A | -1.0376 | |
| 378 | Q | A | -1.5542 | |
| 379 | S | A | -1.0366 | |
| 380 | P | A | -0.9599 | |
| 381 | T | A | -0.8566 | |
| 382 | T | A | -1.1168 | |
| 383 | E | A | -1.9882 | |
| 384 | T | A | -1.4966 | |
| 385 | P | A | -1.6596 | |
| 386 | R | A | -2.1143 | |
| 387 | N | A | -1.2595 | |
| 388 | I | A | 0.8517 | |
| 389 | H | A | 0.8680 | |
| 390 | I | A | 1.8283 | |
| 391 | T | A | 0.9677 | |
| 392 | W | A | 0.9367 | |
| 393 | A | A | 0.0074 | |
| 394 | R | A | -1.6466 | |
| 395 | R | A | -1.7879 | |
| 396 | Y | A | 0.5432 | |
| 397 | L | A | 0.8584 | |
| 398 | K | A | -0.3484 | |
| 399 | V | A | 1.5173 | |
| 400 | I | A | 2.9100 | |
| 401 | I | A | 3.2686 | |
| 402 | G | A | 2.9512 | |
| 403 | I | A | 4.5615 | |
| 404 | I | A | 4.7141 | |
| 405 | C | A | 4.4356 | |
| 406 | V | A | 5.0754 | |
| 407 | A | A | 4.3727 | |
| 408 | G | A | 4.3041 | |
| 409 | I | A | 5.6727 | |
| 410 | L | A | 5.6419 | |
| 411 | L | A | 5.2753 | |
| 412 | I | A | 5.5426 | |
| 413 | V | A | 5.4079 | |
| 414 | I | A | 4.9345 | |
| 415 | S | A | 3.9652 | |
| 416 | I | A | 4.4212 | |
| 417 | T | A | 2.7090 | |
| 418 | C | A | 2.0858 | |
| 419 | Y | A | 2.4624 | |
| 420 | I | A | 1.1830 | |
| 421 | R | A | -0.6756 | |
| 422 | F | A | 0.2220 | |
| 423 | R | A | -1.3090 | |
| 424 | H | A | -1.6237 | |
| 425 | M | A | -1.1773 | |
| 426 | R | A | -1.9938 | |
| 427 | Y | A | -0.8810 | |
| 428 | K | A | -1.8738 | |
| 429 | P | A | -0.8557 | |
| 430 | Y | A | 0.2486 | |
| 431 | E | A | -0.8160 | |
| 432 | V | A | 0.8204 | |
| 433 | I | A | 1.6410 | |
| 434 | N | A | 0.4436 | |
| 435 | P | A | 0.2855 | |
| 436 | F | A | 0.0000 | |
| 437 | P | A | 0.4535 | |
| 438 | A | A | 1.0904 | |
| 439 | V | A | 2.2689 | |
| 440 | Y | A | 2.4991 | |
| 441 | T | A | 1.2287 | |
| 442 | S | A | 1.1333 | |
| 443 | I | A | 1.8839 | |
| 444 | P | A | 0.2066 | |
| 445 | S | A | -1.5804 | |
| 446 | N | A | -2.9470 | |
| 447 | D | A | -3.5278 | |
| 448 | P | A | -2.5942 | |
| 449 | D | A | -2.9074 | |
| 450 | E | A | -2.0979 | |
| 451 | L | A | 0.7708 | |
| 452 | Y | A | 1.5279 | |
| 453 | F | A | 1.6785 | |
| 454 | E | A | -0.5008 | |
| 455 | R | A | -1.0305 | |
| 456 | I | A | 0.6897 | |
| 457 | A | A | -0.1353 | |
| 458 | S | A | -0.9258 | |
| 459 | N | A | -2.3344 | |
| 460 | D | A | -3.7517 | |
| 461 | E | A | -3.9327 | |
| 462 | E | A | -3.3850 | |
| 463 | S | A | -2.1301 | |
| 464 | A | A | -1.8490 | |
| 465 | D | A | -2.7102 | |
| 466 | D | A | -2.4979 | |
| 467 | S | A | -1.2585 | |
| 468 | F | A | -0.1374 | |
| 469 | D | A | -2.2281 | |
| 470 | E | A | -2.9930 | |
| 471 | S | A | -2.8187 | |
| 472 | D | A | -4.0424 | |
| 473 | E | A | -4.2987 | |
| 474 | E | A | -3.9059 | |
| 475 | E | A | -3.2478 | |
| 476 | P | A | -1.4742 | |
| 477 | L | A | -0.2573 | |
| 478 | N | A | -1.6268 | |
| 479 | N | A | -2.0719 | |
| 480 | H | A | -1.7952 | |
| 481 | H | A | -0.8574 | |
| 482 | I | A | 1.0280 | |
| 483 | S | A | 0.1493 | |
| 484 | T | A | -0.1891 | |
| 485 | T | A | -0.7157 | |
| 486 | Q | A | -1.9784 | |
| 487 | H | A | -1.8746 | |
| 488 | T | A | -1.3114 | |
| 489 | D | A | -1.6561 | |
| 490 | I | A | 0.0687 | |
| 491 | N | A | -1.6439 | |
| 492 | P | A | -1.9918 | |
| 493 | E | A | -2.9661 | |
| 494 | K | A | -3.1650 | |
| 495 | S | A | -1.9777 | |
| 496 | G | A | -1.3856 | |
| 497 | S | A | -0.6323 | |
| 498 | G | A | -0.1998 | |
| 499 | Y | A | 1.4648 | |
| 500 | S | A | 1.7730 | |
| 501 | V | A | 2.7685 | |
| 502 | W | A | 2.2411 | |
| 503 | F | A | 1.3730 | |
| 504 | R | A | -1.5931 | |
| 505 | D | A | -2.8488 | |
| 506 | T | A | -2.5847 | |
| 507 | E | A | -3.5150 | |
| 508 | D | A | -3.0934 | |
| 509 | T | A | -1.8749 | |
| 510 | S | A | -1.4634 | |
| 511 | P | A | -1.0126 | |
| 512 | Q | A | -1.2050 | |
| 513 | P | A | -0.5222 | |
| 514 | L | A | 0.5254 | |
| 515 | H | A | -0.6077 | |
| 516 | A | A | -0.7447 | |
| 517 | P | A | -0.7592 | |
| 518 | P | A | -1.2465 | |
| 519 | D | A | -1.5790 | |
| 520 | Y | A | -0.3460 | |
| 521 | S | A | -1.2325 | |
| 522 | R | A | -2.3078 | |
| 523 | V | A | -1.0271 | |
| 524 | V | A | -0.9645 | |
| 525 | K | A | -2.6053 | |
| 526 | R | A | -2.0847 | |
| 527 | L | A | -0.3834 | |
| 528 | K | A | -1.4684 | |
| 529 | S | A | -0.7253 | |
| 530 | I | A | 1.2504 | |
| 531 | L | A | 1.0528 | |
| 532 | K | A | -0.6440 |
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 | -0.1945 | 7.6173 | View | CSV | PDB |
| 4.5 | -0.2643 | 7.6173 | View | CSV | PDB |
| 5.0 | -0.3502 | 7.6173 | View | CSV | PDB |
| 5.5 | -0.4329 | 7.6173 | View | CSV | PDB |
| 6.0 | -0.4935 | 7.6173 | View | CSV | PDB |
| 6.5 | -0.5238 | 7.6173 | View | CSV | PDB |
| 7.0 | -0.5313 | 7.6173 | View | CSV | PDB |
| 7.5 | -0.5277 | 7.6173 | View | CSV | PDB |
| 8.0 | -0.5187 | 7.6173 | View | CSV | PDB |
| 8.5 | -0.5032 | 7.6173 | View | CSV | PDB |
| 9.0 | -0.4787 | 7.6173 | 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