| Chain sequence(s) |
A: SEVAHRFKDLGEENFKALVLIAFAQYLQQCPFEDHVKLVNEVTEFAKTCVADESAENCDKSLHTLFGDKLCTVATLRETYGEMADCCAKQEPERNECFLQHKDDNPNLPRLVRPEVDVMCTAFHDNEETFLKKYLYEIARRHPYFYAPELLFFAKRYKAAFTECCQAADKAACLLPKLDELRDEGKASSAKQRLKCASLQKFGERAFKAWAVARLSQRFPKAEFAEVSKLVTDLTKVHTECCHGDLLECADDRADLAKYICENQDSISSKLKECCEKPLLEKSHCIAEVENDEMPADLPSLAADFVESKDVCKNYAEAKDVFLGMFLYEYARRHPDYSVVLLLRLAKTYETTLEKCCAAADPHECYAKVFDEFKPLVEEPQNLIKQNCELFEQLGEYKFQNALLVRYTKKVPQVSTPTLVEVSRNLGKVGSKCCKHPEAKRMPCAEDYLSVVLNQLCVLHEKTPVSDRVTKCCTESLVNRRPCFSALEVDETYVPKEFNAETFTFHADICTLSEKERQIKKQTALVELVKHKPKATKEQLKAVMDDFAAFVEKCCKADDKETCFAEEGKKLVAASQAA
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 | AD8A,SD5A |
| Energy difference between WT (input) and mutated protein (by FoldX) | 13.3132 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] (00:00:03)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:03)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with A chain(s) selected (00:00:03)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:03)
[INFO] PDB-Info: The input structure is globular. Max score is recommended for pH analysis. (00:00:07)
[INFO] FoldX: Starting FoldX energy minimization (00:00:07)
[INFO] FoldX: Building mutant model (00:15:23)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:16:22)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/e5faa0964f8d1d0/tmp/folded.pdb (00:16:22)
[INFO] Main: Simulation completed successfully. (00:30:44)
|
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 |
|---|---|---|---|---|
| 5 | D | A | -2.4826 | mutated: SD5A |
| 6 | E | A | -2.1430 | |
| 7 | V | A | 0.0000 | |
| 8 | D | A | 0.0000 | mutated: AD8A |
| 9 | H | A | -2.5385 | |
| 10 | R | A | -2.3888 | |
| 11 | F | A | 0.0000 | |
| 12 | K | A | -3.3982 | |
| 13 | D | A | -3.2695 | |
| 14 | L | A | -2.5466 | |
| 15 | G | A | -2.9635 | |
| 16 | E | A | -3.8138 | |
| 17 | E | A | -3.2404 | |
| 18 | N | A | -2.3007 | |
| 19 | F | A | 0.0000 | |
| 20 | K | A | -2.5048 | |
| 21 | A | A | -1.3878 | |
| 22 | L | A | 0.0000 | |
| 23 | V | A | 0.0000 | |
| 24 | L | A | 0.0000 | |
| 25 | I | A | 0.0000 | |
| 26 | A | A | 0.0000 | |
| 27 | F | A | 0.0000 | |
| 28 | A | A | 0.0000 | |
| 29 | Q | A | 0.0000 | |
| 30 | Y | A | 0.0000 | |
| 31 | L | A | 0.0000 | |
| 32 | Q | A | 0.0000 | |
| 33 | Q | A | -1.5122 | |
| 34 | C | A | 0.0000 | |
| 35 | P | A | -1.1914 | |
| 36 | F | A | 0.0000 | |
| 37 | E | A | -2.6256 | |
| 38 | D | A | -2.1166 | |
| 39 | H | A | 0.0000 | |
| 40 | V | A | -2.0252 | |
| 41 | K | A | -2.8241 | |
| 42 | L | A | 0.0000 | |
| 43 | V | A | 0.0000 | |
| 44 | N | A | -2.5603 | |
| 45 | E | A | -2.0505 | |
| 46 | V | A | 0.0000 | |
| 47 | T | A | 0.0000 | |
| 48 | E | A | -2.5771 | |
| 49 | F | A | -1.3663 | |
| 50 | A | A | 0.0000 | |
| 51 | K | A | -2.1679 | |
| 52 | T | A | -1.6251 | |
| 53 | C | A | 0.0000 | |
| 54 | V | A | -1.2459 | |
| 55 | A | A | -0.9507 | |
| 56 | D | A | -2.3274 | |
| 57 | E | A | -3.3654 | |
| 58 | S | A | -2.3296 | |
| 59 | A | A | -2.3552 | |
| 60 | E | A | -3.0011 | |
| 61 | N | A | -2.7268 | |
| 62 | C | A | 0.0000 | |
| 63 | D | A | -3.2952 | |
| 64 | K | A | -2.1831 | |
| 65 | S | A | -1.2298 | |
| 66 | L | A | 0.0000 | |
| 67 | H | A | -0.7817 | |
| 68 | T | A | -0.9305 | |
| 69 | L | A | -0.8725 | |
| 70 | F | A | 0.0000 | |
| 71 | G | A | 0.0000 | |
| 72 | D | A | -1.7439 | |
| 73 | K | A | -1.2816 | |
| 74 | L | A | 0.0000 | |
| 75 | C | A | -0.5026 | |
| 76 | T | A | -0.2109 | |
| 77 | V | A | -0.0097 | |
| 78 | A | A | 0.0000 | |
| 79 | T | A | -0.5725 | |
| 80 | L | A | -0.1368 | |
| 81 | R | A | -2.6702 | |
| 82 | E | A | -2.5129 | |
| 83 | T | A | -1.5686 | |
| 84 | Y | A | 0.0000 | |
| 85 | G | A | -2.3651 | |
| 86 | E | A | -2.8210 | |
| 87 | M | A | 0.0000 | |
| 88 | A | A | -1.7810 | |
| 89 | D | A | -2.7311 | |
| 90 | C | A | 0.0000 | |
| 91 | C | A | -1.6202 | |
| 92 | A | A | -1.7301 | |
| 93 | K | A | -3.1813 | |
| 94 | Q | A | -2.9203 | |
| 95 | E | A | -2.1226 | |
| 96 | P | A | -2.0105 | |
| 97 | E | A | -2.7955 | |
| 98 | R | A | 0.0000 | |
| 99 | N | A | 0.0000 | |
| 100 | E | A | -3.0588 | |
| 101 | C | A | -2.3242 | |
| 102 | F | A | 0.0000 | |
| 103 | L | A | 0.0000 | |
| 104 | Q | A | -1.9808 | |
| 105 | H | A | -1.6698 | |
| 106 | K | A | 0.0000 | |
| 107 | D | A | -2.0340 | |
| 108 | D | A | -1.8197 | |
| 109 | N | A | -2.2168 | |
| 110 | P | A | -1.8708 | |
| 111 | N | A | -2.1250 | |
| 112 | L | A | -1.3513 | |
| 113 | P | A | -0.8344 | |
| 114 | R | A | -1.2718 | |
| 115 | L | A | 0.6622 | |
| 116 | V | A | 1.1564 | |
| 117 | R | A | -0.0797 | |
| 118 | P | A | -0.7943 | |
| 119 | E | A | -1.8471 | |
| 120 | V | A | -1.2269 | |
| 121 | D | A | -1.8301 | |
| 122 | V | A | -0.5021 | |
| 123 | M | A | -0.8127 | |
| 124 | C | A | 0.0000 | |
| 125 | T | A | -1.1219 | |
| 126 | A | A | -1.1620 | |
| 127 | F | A | 0.0000 | |
| 128 | H | A | -2.4232 | |
| 129 | D | A | -2.9127 | |
| 130 | N | A | -2.6669 | |
| 131 | E | A | -2.7666 | |
| 132 | E | A | -2.9090 | |
| 133 | T | A | -1.7625 | |
| 134 | F | A | -1.6586 | |
| 135 | L | A | -1.4146 | |
| 136 | K | A | -1.3998 | |
| 137 | K | A | -1.3456 | |
| 138 | Y | A | -0.4529 | |
| 139 | L | A | 0.0000 | |
| 140 | Y | A | 0.0000 | |
| 141 | E | A | 0.0000 | |
| 142 | I | A | -0.0810 | |
| 143 | A | A | 0.0000 | |
| 144 | R | A | -0.7079 | |
| 145 | R | A | -1.0877 | |
| 146 | H | A | -0.8379 | |
| 147 | P | A | 0.0000 | |
| 148 | Y | A | -0.3478 | |
| 149 | F | A | 0.0000 | |
| 150 | Y | A | 0.0000 | |
| 151 | A | A | 0.0000 | |
| 152 | P | A | 0.0000 | |
| 153 | E | A | 0.0000 | |
| 154 | L | A | 0.0000 | |
| 155 | L | A | -0.2162 | |
| 156 | F | A | 0.0000 | |
| 157 | F | A | 0.0000 | |
| 158 | A | A | -0.7268 | |
| 159 | K | A | -1.4624 | |
| 160 | R | A | -1.2231 | |
| 161 | Y | A | -1.0228 | |
| 162 | K | A | -1.6604 | |
| 163 | A | A | -1.3217 | |
| 164 | A | A | 0.0000 | |
| 165 | F | A | 0.0000 | |
| 166 | T | A | -1.5819 | |
| 167 | E | A | -2.2768 | |
| 168 | C | A | 0.0000 | |
| 169 | C | A | -1.7601 | |
| 170 | Q | A | -1.9885 | |
| 171 | A | A | -1.5998 | |
| 172 | A | A | -1.1706 | |
| 173 | D | A | -2.0583 | |
| 174 | K | A | -1.7025 | |
| 175 | A | A | -0.7888 | |
| 176 | A | A | -0.2810 | |
| 177 | C | A | -0.6189 | |
| 178 | L | A | 0.0000 | |
| 179 | L | A | 0.0271 | |
| 180 | P | A | -1.1461 | |
| 181 | K | A | -2.0291 | |
| 182 | L | A | 0.0000 | |
| 183 | D | A | -3.7957 | |
| 184 | E | A | -3.9312 | |
| 185 | L | A | 0.0000 | |
| 186 | R | A | -4.2024 | |
| 187 | D | A | -4.4380 | |
| 188 | E | A | -3.2336 | |
| 189 | G | A | -2.5605 | |
| 190 | K | A | -2.4519 | |
| 191 | A | A | -1.6349 | |
| 192 | S | A | -1.1403 | |
| 193 | S | A | -0.8131 | |
| 194 | A | A | -0.8496 | |
| 195 | K | A | -1.0347 | |
| 196 | Q | A | 0.0000 | |
| 197 | R | A | -0.5831 | |
| 198 | L | A | 0.0000 | |
| 199 | K | A | -0.6297 | |
| 200 | C | A | 0.0000 | |
| 201 | A | A | -0.9216 | |
| 202 | S | A | 0.0000 | |
| 203 | L | A | 0.0000 | |
| 204 | Q | A | -2.3242 | |
| 205 | K | A | -2.2577 | |
| 206 | F | A | -1.5586 | |
| 207 | G | A | -2.2590 | |
| 208 | E | A | -3.4409 | |
| 209 | R | A | -3.1345 | |
| 210 | A | A | -1.9359 | |
| 211 | F | A | 0.0000 | |
| 212 | K | A | -2.0106 | |
| 213 | A | A | -1.4397 | |
| 214 | W | A | -0.7488 | |
| 215 | A | A | 0.0000 | |
| 216 | V | A | 0.0000 | |
| 217 | A | A | 0.0000 | |
| 218 | R | A | -0.6982 | |
| 219 | L | A | 0.0000 | |
| 220 | S | A | 0.0000 | |
| 221 | Q | A | 0.0000 | |
| 222 | R | A | -1.5806 | |
| 223 | F | A | 0.0000 | |
| 224 | P | A | 0.0000 | |
| 225 | K | A | -2.2838 | |
| 226 | A | A | 0.0000 | |
| 227 | E | A | -2.1858 | |
| 228 | F | A | -0.7583 | |
| 229 | A | A | -0.7481 | |
| 230 | E | A | 0.0000 | |
| 231 | V | A | 0.0000 | |
| 232 | S | A | -0.9009 | |
| 233 | K | A | -1.7518 | |
| 234 | L | A | 0.0000 | |
| 235 | V | A | 0.0000 | |
| 236 | T | A | -1.4548 | |
| 237 | D | A | -2.0179 | |
| 238 | L | A | -1.1574 | |
| 239 | T | A | -1.7467 | |
| 240 | K | A | -2.1918 | |
| 241 | V | A | 0.0000 | |
| 242 | H | A | 0.0000 | |
| 243 | T | A | -1.4286 | |
| 244 | E | A | -1.1986 | |
| 245 | C | A | 0.0000 | |
| 246 | C | A | 0.0000 | |
| 247 | H | A | -1.2962 | |
| 248 | G | A | 0.0000 | |
| 249 | D | A | -0.6884 | |
| 250 | L | A | 0.0000 | |
| 251 | L | A | 0.0000 | |
| 252 | E | A | -1.2649 | |
| 253 | C | A | 0.0000 | |
| 254 | A | A | -0.9809 | |
| 255 | D | A | -1.4680 | |
| 256 | D | A | -2.1237 | |
| 257 | R | A | 0.0000 | |
| 258 | A | A | -1.5105 | |
| 259 | D | A | -2.6991 | |
| 260 | L | A | 0.0000 | |
| 261 | A | A | 0.0000 | |
| 262 | K | A | -2.6195 | |
| 263 | Y | A | -1.6827 | |
| 264 | I | A | 0.0000 | |
| 265 | C | A | -2.4143 | |
| 266 | E | A | -2.5919 | |
| 267 | N | A | -1.9730 | |
| 268 | Q | A | -2.3681 | |
| 269 | D | A | -2.8020 | |
| 270 | S | A | -1.9524 | |
| 271 | I | A | 0.0000 | |
| 272 | S | A | 0.0000 | |
| 273 | S | A | -2.2061 | |
| 274 | K | A | -2.6566 | |
| 275 | L | A | 0.0000 | |
| 276 | K | A | -3.6211 | |
| 277 | E | A | -3.5570 | |
| 278 | C | A | 0.0000 | |
| 279 | C | A | -2.8202 | |
| 280 | E | A | -3.2091 | |
| 281 | K | A | -2.5207 | |
| 282 | P | A | -0.7168 | |
| 283 | L | A | 0.2363 | |
| 284 | L | A | 0.1768 | |
| 285 | E | A | -0.6626 | |
| 286 | K | A | -1.3170 | |
| 287 | S | A | 0.0000 | |
| 288 | H | A | -0.6365 | |
| 289 | C | A | -1.1173 | |
| 290 | I | A | 0.0000 | |
| 291 | A | A | -1.1012 | |
| 292 | E | A | -2.1806 | |
| 293 | V | A | -1.9746 | |
| 294 | E | A | -2.6711 | |
| 295 | N | A | -2.1011 | |
| 296 | D | A | 0.0000 | |
| 297 | E | A | -2.3861 | |
| 298 | M | A | -1.4571 | |
| 299 | P | A | -1.2986 | |
| 300 | A | A | -1.1388 | |
| 301 | D | A | -1.7004 | |
| 302 | L | A | -0.8962 | |
| 303 | P | A | -0.9280 | |
| 304 | S | A | -0.7569 | |
| 305 | L | A | -0.7619 | |
| 306 | A | A | -0.8826 | |
| 307 | A | A | -1.7392 | |
| 308 | D | A | -2.8517 | |
| 309 | F | A | 0.0000 | |
| 310 | V | A | -2.0032 | |
| 311 | E | A | -2.9722 | |
| 312 | S | A | -3.0489 | |
| 313 | K | A | -3.7027 | |
| 314 | D | A | -3.9638 | |
| 315 | V | A | 0.0000 | |
| 316 | C | A | -2.4092 | |
| 317 | K | A | -3.4356 | |
| 318 | N | A | -3.0235 | |
| 319 | Y | A | 0.0000 | |
| 320 | A | A | -2.3319 | |
| 321 | E | A | -2.6898 | |
| 322 | A | A | -1.6508 | |
| 323 | K | A | -2.1039 | |
| 324 | D | A | -1.6364 | |
| 325 | V | A | 0.5790 | |
| 326 | F | A | -0.1784 | |
| 327 | L | A | -0.3924 | |
| 328 | G | A | 0.0828 | |
| 329 | M | A | 0.4530 | |
| 330 | F | A | 0.0000 | |
| 331 | L | A | 0.0000 | |
| 332 | Y | A | 0.0000 | |
| 333 | E | A | -0.5507 | |
| 334 | Y | A | 0.0000 | |
| 335 | A | A | 0.0000 | |
| 336 | R | A | 0.0000 | |
| 337 | R | A | -1.0658 | |
| 338 | H | A | -0.8944 | |
| 339 | P | A | -0.9279 | |
| 340 | D | A | -1.2927 | |
| 341 | Y | A | -0.5894 | |
| 342 | S | A | 0.0000 | |
| 343 | V | A | 0.0000 | |
| 344 | V | A | 0.0000 | |
| 345 | L | A | 0.0000 | |
| 346 | L | A | 0.0000 | |
| 347 | L | A | 0.0000 | |
| 348 | R | A | -0.9656 | |
| 349 | L | A | 0.0000 | |
| 350 | A | A | -1.0054 | |
| 351 | K | A | -1.8881 | |
| 352 | T | A | -1.3149 | |
| 353 | Y | A | 0.0000 | |
| 354 | E | A | -2.2992 | |
| 355 | T | A | -1.8902 | |
| 356 | T | A | -1.9392 | |
| 357 | L | A | 0.0000 | |
| 358 | E | A | -2.7737 | |
| 359 | K | A | -2.5632 | |
| 360 | C | A | 0.0000 | |
| 361 | C | A | -1.3264 | |
| 362 | A | A | -0.9938 | |
| 363 | A | A | -1.2094 | |
| 364 | A | A | -0.9610 | |
| 365 | D | A | -2.1886 | |
| 366 | P | A | -2.0201 | |
| 367 | H | A | -2.6790 | |
| 368 | E | A | -2.4382 | |
| 369 | C | A | -1.3899 | |
| 370 | Y | A | 0.0000 | |
| 371 | A | A | -1.7456 | |
| 372 | K | A | -2.6540 | |
| 373 | V | A | 0.0000 | |
| 374 | F | A | -1.6983 | |
| 375 | D | A | -3.4461 | |
| 376 | E | A | -3.4191 | |
| 377 | F | A | 0.0000 | |
| 378 | K | A | -3.0350 | |
| 379 | P | A | -2.0834 | |
| 380 | L | A | -1.5953 | |
| 381 | V | A | 0.0000 | |
| 382 | E | A | -2.0089 | |
| 383 | E | A | -1.8558 | |
| 384 | P | A | 0.0000 | |
| 385 | Q | A | -2.1562 | |
| 386 | N | A | -2.1882 | |
| 387 | L | A | -1.5378 | |
| 388 | I | A | 0.0000 | |
| 389 | K | A | -3.1007 | |
| 390 | Q | A | -2.5585 | |
| 391 | N | A | -1.7923 | |
| 392 | C | A | 0.0000 | |
| 393 | E | A | -3.1536 | |
| 394 | L | A | -2.0748 | |
| 395 | F | A | -2.2572 | |
| 396 | E | A | -3.0580 | |
| 397 | Q | A | -2.5391 | |
| 398 | L | A | -1.6828 | |
| 399 | G | A | -1.6321 | |
| 400 | E | A | -1.8484 | |
| 401 | Y | A | -1.3341 | |
| 402 | K | A | -2.0817 | |
| 403 | F | A | 0.0000 | |
| 404 | Q | A | 0.0000 | |
| 405 | N | A | 0.0000 | |
| 406 | A | A | -0.6826 | |
| 407 | L | A | 0.0000 | |
| 408 | L | A | 0.0000 | |
| 409 | V | A | -0.2946 | |
| 410 | R | A | -0.6713 | |
| 411 | Y | A | -0.3127 | |
| 412 | T | A | 0.0000 | |
| 413 | K | A | -1.0227 | |
| 414 | K | A | 0.0000 | |
| 415 | V | A | 0.0000 | |
| 416 | P | A | 0.0000 | |
| 417 | Q | A | -0.1017 | |
| 418 | V | A | 0.0000 | |
| 419 | S | A | -0.1306 | |
| 420 | T | A | 0.0000 | |
| 421 | P | A | -0.3495 | |
| 422 | T | A | -0.3620 | |
| 423 | L | A | 0.0000 | |
| 424 | V | A | 0.0000 | |
| 425 | E | A | -0.5709 | |
| 426 | V | A | 0.0000 | |
| 427 | S | A | 0.0000 | |
| 428 | R | A | -0.8567 | |
| 429 | N | A | -0.6067 | |
| 430 | L | A | 0.0000 | |
| 431 | G | A | 0.0000 | |
| 432 | K | A | -1.2151 | |
| 433 | V | A | 0.0000 | |
| 434 | G | A | 0.0000 | |
| 435 | S | A | -1.7002 | |
| 436 | K | A | -1.9310 | |
| 437 | C | A | 0.0000 | |
| 438 | C | A | -2.4271 | |
| 439 | K | A | -2.7669 | |
| 440 | H | A | -2.2049 | |
| 441 | P | A | -1.9037 | |
| 442 | E | A | -2.8493 | |
| 443 | A | A | -1.6210 | |
| 444 | K | A | -1.7357 | |
| 445 | R | A | -2.0786 | |
| 446 | M | A | 0.0000 | |
| 447 | P | A | -0.3297 | |
| 448 | C | A | -0.4078 | |
| 449 | A | A | 0.0000 | |
| 450 | E | A | 0.0000 | |
| 451 | D | A | -0.0675 | |
| 452 | Y | A | -0.0836 | |
| 453 | L | A | 0.1449 | |
| 454 | S | A | 0.0113 | |
| 455 | V | A | -0.1209 | |
| 456 | V | A | 0.0000 | |
| 457 | L | A | 0.0000 | |
| 458 | N | A | 0.0000 | |
| 459 | Q | A | -0.2529 | |
| 460 | L | A | 0.0000 | |
| 461 | C | A | 0.0000 | |
| 462 | V | A | -1.1701 | |
| 463 | L | A | -1.3052 | |
| 464 | H | A | 0.0000 | |
| 465 | E | A | -2.4266 | |
| 466 | K | A | -2.7288 | |
| 467 | T | A | -1.2019 | |
| 468 | P | A | -1.0459 | |
| 469 | V | A | 0.1993 | |
| 470 | S | A | 0.0000 | |
| 471 | D | A | -2.0228 | |
| 472 | R | A | -1.4575 | |
| 473 | V | A | 0.0000 | |
| 474 | T | A | -1.7428 | |
| 475 | K | A | -2.2216 | |
| 476 | C | A | 0.0000 | |
| 477 | C | A | 0.0000 | |
| 478 | T | A | -1.6735 | |
| 479 | E | A | -2.1123 | |
| 480 | S | A | -1.1565 | |
| 481 | L | A | -0.3404 | |
| 482 | V | A | 0.0000 | |
| 483 | N | A | -0.6580 | |
| 484 | R | A | 0.0000 | |
| 485 | R | A | 0.0000 | |
| 486 | P | A | -0.1161 | |
| 487 | C | A | -0.3110 | |
| 488 | F | A | 0.0000 | |
| 489 | S | A | -0.2367 | |
| 490 | A | A | -0.2982 | |
| 491 | L | A | -0.5679 | |
| 492 | E | A | -1.7329 | |
| 493 | V | A | -0.9672 | |
| 494 | D | A | 0.0000 | |
| 495 | E | A | -1.8683 | |
| 496 | T | A | -0.3523 | |
| 497 | Y | A | 0.1151 | |
| 498 | V | A | 1.1229 | |
| 499 | P | A | -0.4499 | |
| 500 | K | A | -1.3709 | |
| 501 | E | A | -2.1159 | |
| 502 | F | A | -1.2977 | |
| 503 | N | A | -1.2074 | |
| 504 | A | A | -1.2551 | |
| 505 | E | A | -1.8749 | |
| 506 | T | A | -0.9825 | |
| 507 | F | A | 0.0000 | |
| 508 | T | A | -1.2862 | |
| 509 | F | A | 0.0000 | |
| 510 | H | A | -1.6825 | |
| 511 | A | A | -2.0949 | |
| 512 | D | A | -2.1165 | |
| 513 | I | A | 0.0000 | |
| 514 | C | A | -1.1826 | |
| 515 | T | A | -0.6106 | |
| 516 | L | A | -0.8306 | |
| 517 | S | A | -1.4754 | |
| 518 | E | A | -2.8352 | |
| 519 | K | A | -2.8193 | |
| 520 | E | A | -1.8958 | |
| 521 | R | A | -1.8360 | |
| 522 | Q | A | -1.5507 | |
| 523 | I | A | -1.0184 | |
| 524 | K | A | -1.4453 | |
| 525 | K | A | -0.8563 | |
| 526 | Q | A | 0.0000 | |
| 527 | T | A | -0.4250 | |
| 528 | A | A | 0.0000 | |
| 529 | L | A | 0.0000 | |
| 530 | V | A | 0.0000 | |
| 531 | E | A | -0.3429 | |
| 532 | L | A | -0.4218 | |
| 533 | V | A | 0.0000 | |
| 534 | K | A | 0.0000 | |
| 535 | H | A | 0.0000 | |
| 536 | K | A | -2.1604 | |
| 537 | P | A | -1.5403 | |
| 538 | K | A | -2.4350 | |
| 539 | A | A | -1.8528 | |
| 540 | T | A | -2.3612 | |
| 541 | K | A | -3.4170 | |
| 542 | E | A | -3.5980 | |
| 543 | Q | A | -3.1565 | |
| 544 | L | A | 0.0000 | |
| 545 | K | A | -3.2360 | |
| 546 | A | A | -2.4230 | |
| 547 | V | A | -1.5442 | |
| 548 | M | A | 0.0000 | |
| 549 | D | A | -2.7874 | |
| 550 | D | A | -2.5041 | |
| 551 | F | A | -1.4976 | |
| 552 | A | A | -1.8224 | |
| 553 | A | A | -2.0143 | |
| 554 | F | A | 0.0000 | |
| 555 | V | A | 0.0000 | |
| 556 | E | A | -3.0223 | |
| 557 | K | A | -2.9218 | |
| 558 | C | A | 0.0000 | |
| 559 | C | A | -2.6754 | |
| 560 | K | A | -3.1092 | |
| 561 | A | A | -2.8111 | |
| 562 | D | A | -3.1418 | |
| 563 | D | A | -3.0039 | |
| 564 | K | A | -3.1517 | |
| 565 | E | A | -3.5918 | |
| 566 | T | A | -2.4181 | |
| 567 | C | A | -2.1525 | |
| 568 | F | A | 0.0000 | |
| 569 | A | A | -2.3472 | |
| 570 | E | A | -3.1306 | |
| 571 | E | A | -2.4028 | |
| 572 | G | A | 0.0000 | |
| 573 | K | A | -3.1412 | |
| 574 | K | A | -2.9189 | |
| 575 | L | A | -1.7912 | |
| 576 | V | A | -1.2108 | |
| 577 | A | A | -1.1345 | |
| 578 | A | A | -0.7553 | |
| 579 | S | A | -0.7086 | |
| 580 | Q | A | -1.2769 | |
| 581 | A | A | -0.4327 | |
| 582 | A | A | -0.6019 |
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 | -0.9144 | 1.9022 | View | CSV | PDB |
| 4.5 | -1.029 | 1.7464 | View | CSV | PDB |
| 5.0 | -1.1733 | 1.5591 | View | CSV | PDB |
| 5.5 | -1.3192 | 1.5006 | View | CSV | PDB |
| 6.0 | -1.4369 | 1.4759 | View | CSV | PDB |
| 6.5 | -1.5048 | 1.4586 | View | CSV | PDB |
| 7.0 | -1.5198 | 1.4497 | View | CSV | PDB |
| 7.5 | -1.4969 | 1.4461 | View | CSV | PDB |
| 8.0 | -1.453 | 1.4449 | View | CSV | PDB |
| 8.5 | -1.3956 | 1.5864 | View | CSV | PDB |
| 9.0 | -1.325 | 1.7489 | 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