| Chain sequence(s) |
A: DPVGGERFDYILVGGGTAACVLANRLSADGSKRVLVLEAGPDNTSRDVKIPAAITRLFRSPLDWNLFSELQEQLAERQIYMARGRLLGGSSATNATLYHRGAAGDYDAWGVEGWSSEDVLSWFVQAETNADFGPGAYHGSGGPMRVENPRYTNKQLHTAFFKAAEEVGLTPNSDFNDWSHDHAGYGTFQVMQDKGTRADMYRQYLKPVLGRRNLQVLTGAAVTKVNIDQAAGKAQALGVEFSTDGPTGERLSAELAPGGEVIMCAGAVHTPFLLKHSGVGPSAELKEFGIPVVSNLAGVGGGGGSGGGGSGGGGSNLQDQFNNVFEALGKEPITGRPVLLRPSLKDVYGEETPEVVELLRKELPEYAQKHVERSGGVHSLESVLAEYEQLFDLLVEGKVPVAEILVSPGGGNLVRFALRPTYPFHRGGVNITSNDPFAAPAINFNGFSYPYDYLNMAYLAKLVRKIVRTSPLSELIEKIVYPGDDVIPENADLQEIADWLKQTCTSANDPVGTGGGKSGGGGSGFDGGGTCKMGNAGDSSSVVDNQLRVHGVEGLRVVDASVVPKIPGGHTGAPVVMIAERAAALLTGK
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] (00:00:12)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:12)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with A chain(s) selected (00:00:12)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:12)
[INFO] PDB-Info: The input structure is globular. Max score is recommended for pH analysis. (00:00:16)
[INFO] FoldX: Starting FoldX energy minimization (00:00:16)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:13:22)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/d57d1b3fe8bd495/tmp/folded.pdb (00:13:22)
[INFO] Main: Simulation completed successfully. (00:23:09)
|
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 | D | A | -2.3772 | |
| 2 | P | A | -1.3176 | |
| 3 | V | A | 0.0000 | |
| 4 | G | A | -1.9552 | |
| 5 | G | A | -1.8392 | |
| 6 | E | A | -2.4298 | |
| 7 | R | A | -2.3790 | |
| 8 | F | A | 0.0000 | |
| 9 | D | A | -1.5626 | |
| 10 | Y | A | 0.0000 | |
| 11 | I | A | 0.0000 | |
| 12 | L | A | 0.0000 | |
| 13 | V | A | 0.0000 | |
| 14 | G | A | -0.1240 | |
| 15 | G | A | 0.0000 | |
| 16 | G | A | -0.2166 | |
| 17 | T | A | -0.0851 | |
| 18 | A | A | 0.0000 | |
| 19 | A | A | 0.0000 | |
| 20 | C | A | 0.0000 | |
| 21 | V | A | 0.0000 | |
| 22 | L | A | 0.0000 | |
| 23 | A | A | 0.0000 | |
| 24 | N | A | 0.0000 | |
| 25 | R | A | -0.7241 | |
| 26 | L | A | 0.0000 | |
| 27 | S | A | 0.0000 | |
| 28 | A | A | -1.1547 | |
| 29 | D | A | -2.0590 | |
| 30 | G | A | -1.7362 | |
| 31 | S | A | -1.2313 | |
| 32 | K | A | -1.4070 | |
| 33 | R | A | -2.1200 | |
| 34 | V | A | 0.0000 | |
| 35 | L | A | 0.0000 | |
| 36 | V | A | 0.0000 | |
| 37 | L | A | 0.0000 | |
| 38 | E | A | 0.0000 | |
| 39 | A | A | -0.5439 | |
| 40 | G | A | 0.0000 | |
| 41 | P | A | -0.9419 | |
| 42 | D | A | -1.3623 | |
| 43 | N | A | -1.5813 | |
| 44 | T | A | -1.2332 | |
| 45 | S | A | -1.5583 | |
| 46 | R | A | -2.4403 | |
| 47 | D | A | -1.8771 | |
| 48 | V | A | 0.0000 | |
| 49 | K | A | -2.0186 | |
| 50 | I | A | -0.6205 | |
| 51 | P | A | -0.3398 | |
| 52 | A | A | -0.1704 | |
| 53 | A | A | 0.0000 | |
| 54 | I | A | -0.3203 | |
| 55 | T | A | -0.8511 | |
| 56 | R | A | -1.9593 | |
| 57 | L | A | 0.0000 | |
| 58 | F | A | -0.8361 | |
| 59 | R | A | -2.1023 | |
| 60 | S | A | -1.3606 | |
| 61 | P | A | -0.8780 | |
| 62 | L | A | -0.9123 | |
| 63 | D | A | 0.0000 | |
| 64 | W | A | -0.4478 | |
| 65 | N | A | -0.9776 | |
| 66 | L | A | 0.0000 | |
| 67 | F | A | 0.7967 | |
| 68 | S | A | 0.0000 | |
| 69 | E | A | -1.0556 | |
| 70 | L | A | -0.9013 | |
| 71 | Q | A | 0.0000 | |
| 72 | E | A | -3.0656 | |
| 73 | Q | A | -2.2241 | |
| 74 | L | A | 0.0000 | |
| 75 | A | A | -2.2071 | |
| 76 | E | A | -3.0822 | |
| 77 | R | A | -2.1691 | |
| 78 | Q | A | -1.4658 | |
| 79 | I | A | 0.0000 | |
| 80 | Y | A | 0.0000 | |
| 81 | M | A | 0.0000 | |
| 82 | A | A | -0.4436 | |
| 83 | R | A | -0.7395 | |
| 84 | G | A | -0.6776 | |
| 85 | R | A | -0.9665 | |
| 86 | L | A | 0.0000 | |
| 87 | L | A | 0.0000 | |
| 88 | G | A | 0.0000 | |
| 89 | G | A | 0.0000 | |
| 90 | S | A | -0.4453 | |
| 91 | S | A | 0.0000 | |
| 92 | A | A | 0.0000 | |
| 93 | T | A | -0.5150 | |
| 94 | N | A | -0.2958 | |
| 95 | A | A | -0.1020 | |
| 96 | T | A | 0.0000 | |
| 97 | L | A | 0.0000 | |
| 98 | Y | A | 0.0000 | |
| 99 | H | A | 0.0000 | |
| 100 | R | A | 0.0000 | |
| 101 | G | A | 0.0000 | |
| 102 | A | A | 0.0000 | |
| 103 | A | A | -1.1651 | |
| 104 | G | A | -0.9192 | |
| 105 | D | A | 0.0000 | |
| 106 | Y | A | 0.0000 | |
| 107 | D | A | -2.3114 | |
| 108 | A | A | -1.0420 | |
| 109 | W | A | 0.0000 | |
| 110 | G | A | -1.4876 | |
| 111 | V | A | 0.0000 | |
| 112 | E | A | -2.4290 | |
| 113 | G | A | -1.6245 | |
| 114 | W | A | 0.0000 | |
| 115 | S | A | -1.9839 | |
| 116 | S | A | -1.6116 | |
| 117 | E | A | -2.3466 | |
| 118 | D | A | -1.9195 | |
| 119 | V | A | 0.0000 | |
| 120 | L | A | -0.5714 | |
| 121 | S | A | -0.6276 | |
| 122 | W | A | -0.4148 | |
| 123 | F | A | 0.0000 | |
| 124 | V | A | -0.3016 | |
| 125 | Q | A | -1.0205 | |
| 126 | A | A | 0.0000 | |
| 127 | E | A | 0.0000 | |
| 128 | T | A | -0.8489 | |
| 129 | N | A | -0.8384 | |
| 130 | A | A | -1.1273 | |
| 131 | D | A | -1.4334 | |
| 132 | F | A | -0.6280 | |
| 133 | G | A | -0.8492 | |
| 134 | P | A | -0.7966 | |
| 135 | G | A | -0.5248 | |
| 136 | A | A | -0.1775 | |
| 137 | Y | A | 0.0337 | |
| 138 | H | A | 0.0000 | |
| 139 | G | A | 0.0000 | |
| 140 | S | A | -0.8308 | |
| 141 | G | A | -0.8695 | |
| 142 | G | A | 0.0000 | |
| 143 | P | A | -0.6263 | |
| 144 | M | A | 0.0000 | |
| 145 | R | A | -1.0309 | |
| 146 | V | A | 0.0000 | |
| 147 | E | A | 0.0000 | |
| 148 | N | A | -1.1548 | |
| 149 | P | A | 0.0000 | |
| 150 | R | A | -2.0798 | |
| 151 | Y | A | -0.9376 | |
| 152 | T | A | -0.9850 | |
| 153 | N | A | -1.6542 | |
| 154 | K | A | -2.1226 | |
| 155 | Q | A | -1.3078 | |
| 156 | L | A | 0.0000 | |
| 157 | H | A | -1.0497 | |
| 158 | T | A | -0.9878 | |
| 159 | A | A | -1.0086 | |
| 160 | F | A | 0.0000 | |
| 161 | F | A | -1.1858 | |
| 162 | K | A | -2.6856 | |
| 163 | A | A | 0.0000 | |
| 164 | A | A | 0.0000 | |
| 165 | E | A | -3.2564 | |
| 166 | E | A | -3.2930 | |
| 167 | V | A | -2.0370 | |
| 168 | G | A | -2.0124 | |
| 169 | L | A | 0.0000 | |
| 170 | T | A | -1.1211 | |
| 171 | P | A | -0.7339 | |
| 172 | N | A | 0.0000 | |
| 173 | S | A | -0.3842 | |
| 174 | D | A | 0.0000 | |
| 175 | F | A | 0.0000 | |
| 176 | N | A | 0.0000 | |
| 177 | D | A | -0.6400 | |
| 178 | W | A | -0.5817 | |
| 179 | S | A | -0.7994 | |
| 180 | H | A | -1.6691 | |
| 181 | D | A | -2.5135 | |
| 182 | H | A | 0.0000 | |
| 183 | A | A | 0.0000 | |
| 184 | G | A | 0.0000 | |
| 185 | Y | A | 0.0000 | |
| 186 | G | A | 0.0000 | |
| 187 | T | A | -0.1108 | |
| 188 | F | A | 0.0000 | |
| 189 | Q | A | 0.0000 | |
| 190 | V | A | 0.0000 | |
| 191 | M | A | 0.0000 | |
| 192 | Q | A | -1.2636 | |
| 193 | D | A | -1.4383 | |
| 194 | K | A | -2.3646 | |
| 195 | G | A | -1.6807 | |
| 196 | T | A | -1.0580 | |
| 197 | R | A | 0.0000 | |
| 198 | A | A | 0.0000 | |
| 199 | D | A | 0.0000 | |
| 200 | M | A | 0.0000 | |
| 201 | Y | A | 0.0000 | |
| 202 | R | A | -1.6606 | |
| 203 | Q | A | -1.0792 | |
| 204 | Y | A | 0.0000 | |
| 205 | L | A | 0.0000 | |
| 206 | K | A | -1.9558 | |
| 207 | P | A | -1.2020 | |
| 208 | V | A | 0.0000 | |
| 209 | L | A | -0.5987 | |
| 210 | G | A | -1.1691 | |
| 211 | R | A | -1.7683 | |
| 212 | R | A | -2.3242 | |
| 213 | N | A | 0.0000 | |
| 214 | L | A | 0.0000 | |
| 215 | Q | A | -0.6453 | |
| 216 | V | A | 0.2502 | |
| 217 | L | A | 0.0275 | |
| 218 | T | A | -0.3444 | |
| 219 | G | A | -0.8496 | |
| 220 | A | A | 0.0000 | |
| 221 | A | A | -0.5090 | |
| 222 | V | A | -0.2091 | |
| 223 | T | A | 0.0000 | |
| 224 | K | A | -0.4394 | |
| 225 | V | A | 0.0000 | |
| 226 | N | A | -0.4284 | |
| 227 | I | A | -0.8291 | |
| 228 | D | A | -1.6575 | |
| 229 | Q | A | -2.0232 | |
| 230 | A | A | -1.1628 | |
| 231 | A | A | -1.2243 | |
| 232 | G | A | -1.7101 | |
| 233 | K | A | -2.8706 | |
| 234 | A | A | 0.0000 | |
| 235 | Q | A | -2.1688 | |
| 236 | A | A | 0.0000 | |
| 237 | L | A | -0.2203 | |
| 238 | G | A | 0.0000 | |
| 239 | V | A | 0.0000 | |
| 240 | E | A | -1.0601 | |
| 241 | F | A | 0.0000 | |
| 242 | S | A | 0.0000 | |
| 243 | T | A | -1.8413 | |
| 244 | D | A | -2.6230 | |
| 245 | G | A | -1.5852 | |
| 246 | P | A | -1.2890 | |
| 247 | T | A | -1.2984 | |
| 248 | G | A | -2.3109 | |
| 249 | E | A | -3.3820 | |
| 250 | R | A | -3.0079 | |
| 251 | L | A | -1.9206 | |
| 252 | S | A | -1.4949 | |
| 253 | A | A | 0.0000 | |
| 254 | E | A | -1.7075 | |
| 255 | L | A | 0.0000 | |
| 256 | A | A | -1.2822 | |
| 257 | P | A | -0.7776 | |
| 258 | G | A | -0.8884 | |
| 259 | G | A | 0.0000 | |
| 260 | E | A | -1.0289 | |
| 261 | V | A | 0.0000 | |
| 262 | I | A | 0.0000 | |
| 263 | M | A | 0.0000 | |
| 264 | C | A | 0.0000 | |
| 265 | A | A | -0.1564 | |
| 266 | G | A | -0.1928 | |
| 267 | A | A | 0.0000 | |
| 268 | V | A | 0.0000 | |
| 269 | H | A | -0.1604 | |
| 270 | T | A | 0.0000 | |
| 271 | P | A | 0.0000 | |
| 272 | F | A | 0.0000 | |
| 273 | L | A | 0.0000 | |
| 274 | L | A | 0.0000 | |
| 275 | K | A | 0.0000 | |
| 276 | H | A | 0.0000 | |
| 277 | S | A | 0.0000 | |
| 278 | G | A | 0.0000 | |
| 279 | V | A | 0.0000 | |
| 280 | G | A | 0.0000 | |
| 281 | P | A | -0.6335 | |
| 282 | S | A | -1.0400 | |
| 283 | A | A | -1.2631 | |
| 284 | E | A | 0.0000 | |
| 285 | L | A | 0.0000 | |
| 286 | K | A | -2.6099 | |
| 287 | E | A | -2.8303 | |
| 288 | F | A | -1.9253 | |
| 289 | G | A | -1.7683 | |
| 290 | I | A | 0.0000 | |
| 291 | P | A | -0.4022 | |
| 292 | V | A | -0.2084 | |
| 293 | V | A | -0.4425 | |
| 294 | S | A | 0.0000 | |
| 295 | N | A | -1.1205 | |
| 296 | L | A | -0.4876 | |
| 297 | A | A | -0.3535 | |
| 298 | G | A | 0.0000 | |
| 299 | V | A | 0.0000 | |
| 300 | G | A | 0.0000 | |
| 301 | G | A | 0.0000 | |
| 302 | G | A | 0.0000 | |
| 303 | G | A | 0.0000 | |
| 304 | G | A | -0.9383 | |
| 305 | S | A | -1.1812 | |
| 306 | G | A | -1.5300 | |
| 307 | G | A | -1.1549 | |
| 308 | G | A | -1.1532 | |
| 309 | G | A | -1.4138 | |
| 310 | S | A | -1.1779 | |
| 311 | G | A | -1.6048 | |
| 312 | G | A | -0.8803 | |
| 313 | G | A | -0.9064 | |
| 314 | G | A | 0.0000 | |
| 315 | S | A | 0.0000 | |
| 316 | N | A | 0.0000 | |
| 317 | L | A | 0.0000 | |
| 318 | Q | A | 0.0000 | |
| 319 | D | A | 0.0000 | |
| 320 | Q | A | 0.0000 | |
| 321 | F | A | 0.0000 | |
| 322 | N | A | -0.1170 | |
| 323 | N | A | 0.0000 | |
| 324 | V | A | 0.3364 | |
| 325 | F | A | 0.0000 | |
| 326 | E | A | -0.0671 | |
| 327 | A | A | 0.0000 | |
| 328 | L | A | -0.9415 | |
| 329 | G | A | 0.0000 | |
| 330 | K | A | -3.2820 | |
| 331 | E | A | -2.5621 | |
| 332 | P | A | -1.4712 | |
| 333 | I | A | 0.0000 | |
| 334 | T | A | -0.8627 | |
| 335 | G | A | 0.0000 | |
| 336 | R | A | -1.2155 | |
| 337 | P | A | 0.0000 | |
| 338 | V | A | 0.0000 | |
| 339 | L | A | 0.0000 | |
| 340 | L | A | 0.0000 | |
| 341 | R | A | 0.0000 | |
| 342 | P | A | 0.0000 | |
| 343 | S | A | -1.2304 | |
| 344 | L | A | 0.0000 | |
| 345 | K | A | -2.2245 | |
| 346 | D | A | -1.3166 | |
| 347 | V | A | 0.0000 | |
| 348 | Y | A | 0.0000 | |
| 349 | G | A | -2.1483 | |
| 350 | E | A | -3.0709 | |
| 351 | E | A | -2.8853 | |
| 352 | T | A | 0.0000 | |
| 353 | P | A | -2.2544 | |
| 354 | E | A | -2.9799 | |
| 355 | V | A | -1.8573 | |
| 356 | V | A | 0.0000 | |
| 357 | E | A | -2.9865 | |
| 358 | L | A | -1.6406 | |
| 359 | L | A | 0.0000 | |
| 360 | R | A | -2.9887 | |
| 361 | K | A | -3.2018 | |
| 362 | E | A | -2.9311 | |
| 363 | L | A | 0.0000 | |
| 364 | P | A | -2.2436 | |
| 365 | E | A | -2.9922 | |
| 366 | Y | A | 0.0000 | |
| 367 | A | A | 0.0000 | |
| 368 | Q | A | -2.1923 | |
| 369 | K | A | -2.4081 | |
| 370 | H | A | 0.0000 | |
| 371 | V | A | -1.5520 | |
| 372 | E | A | -2.7566 | |
| 373 | R | A | -2.0567 | |
| 374 | S | A | 0.0000 | |
| 375 | G | A | -1.4657 | |
| 376 | G | A | -1.0836 | |
| 377 | V | A | -0.3242 | |
| 378 | H | A | 0.0000 | |
| 379 | S | A | -0.7155 | |
| 380 | L | A | -0.8140 | |
| 381 | E | A | -1.6198 | |
| 382 | S | A | -0.8072 | |
| 383 | V | A | 0.0000 | |
| 384 | L | A | -0.9065 | |
| 385 | A | A | -0.8119 | |
| 386 | E | A | 0.0000 | |
| 387 | Y | A | 0.0000 | |
| 388 | E | A | -1.6314 | |
| 389 | Q | A | -1.4640 | |
| 390 | L | A | 0.0000 | |
| 391 | F | A | 0.0000 | |
| 392 | D | A | -2.5284 | |
| 393 | L | A | -1.8059 | |
| 394 | L | A | 0.0000 | |
| 395 | V | A | -1.4564 | |
| 396 | E | A | -2.6081 | |
| 397 | G | A | -2.2453 | |
| 398 | K | A | -2.7159 | |
| 399 | V | A | 0.0000 | |
| 400 | P | A | 0.0000 | |
| 401 | V | A | 0.0000 | |
| 402 | A | A | 0.0000 | |
| 403 | E | A | 0.0000 | |
| 404 | I | A | 0.0000 | |
| 405 | L | A | 0.2016 | |
| 406 | V | A | 0.0000 | |
| 407 | S | A | -0.3474 | |
| 408 | P | A | -0.6421 | |
| 409 | G | A | -0.6947 | |
| 410 | G | A | -0.9031 | |
| 411 | G | A | -1.0253 | |
| 412 | N | A | -1.6000 | |
| 413 | L | A | -0.7111 | |
| 414 | V | A | 0.0000 | |
| 415 | R | A | -0.5383 | |
| 416 | F | A | 0.0000 | |
| 417 | A | A | 0.0278 | |
| 418 | L | A | 0.0000 | |
| 419 | R | A | 0.0000 | |
| 420 | P | A | 0.0000 | |
| 421 | T | A | 0.0000 | |
| 422 | Y | A | 0.0000 | |
| 423 | P | A | 0.0000 | |
| 424 | F | A | 0.0000 | |
| 425 | H | A | 0.0000 | |
| 426 | R | A | 0.0000 | |
| 427 | G | A | 0.0000 | |
| 428 | G | A | 0.0000 | |
| 429 | V | A | 0.0000 | |
| 430 | N | A | -0.2571 | |
| 431 | I | A | 0.0000 | |
| 432 | T | A | -0.6971 | |
| 433 | S | A | -1.2370 | |
| 434 | N | A | -1.9870 | |
| 435 | D | A | -1.5508 | |
| 436 | P | A | -0.7117 | |
| 437 | F | A | -0.0580 | |
| 438 | A | A | -0.2990 | |
| 439 | A | A | 0.1393 | |
| 440 | P | A | 0.0000 | |
| 441 | A | A | -0.1282 | |
| 442 | I | A | 0.0000 | |
| 443 | N | A | 0.0000 | |
| 444 | F | A | 0.0000 | |
| 445 | N | A | 0.0000 | |
| 446 | G | A | 0.0000 | |
| 447 | F | A | 0.0000 | |
| 448 | S | A | -0.6042 | |
| 449 | Y | A | 0.0000 | |
| 450 | P | A | -0.0300 | |
| 451 | Y | A | 0.0000 | |
| 452 | D | A | 0.0000 | |
| 453 | Y | A | -0.0306 | |
| 454 | L | A | 0.2279 | |
| 455 | N | A | 0.0000 | |
| 456 | M | A | 0.0000 | |
| 457 | A | A | 0.0000 | |
| 458 | Y | A | 0.0000 | |
| 459 | L | A | 0.0000 | |
| 460 | A | A | 0.0000 | |
| 461 | K | A | -1.7909 | |
| 462 | L | A | 0.0000 | |
| 463 | V | A | 0.0000 | |
| 464 | R | A | -2.1023 | |
| 465 | K | A | -2.7069 | |
| 466 | I | A | 0.0000 | |
| 467 | V | A | 0.0000 | |
| 468 | R | A | -2.8088 | |
| 469 | T | A | 0.0000 | |
| 470 | S | A | -1.5133 | |
| 471 | P | A | -1.6884 | |
| 472 | L | A | 0.0000 | |
| 473 | S | A | -2.3372 | |
| 474 | E | A | -2.7955 | |
| 475 | L | A | 0.0000 | |
| 476 | I | A | 0.0000 | |
| 477 | E | A | -3.3757 | |
| 478 | K | A | -2.5088 | |
| 479 | I | A | -0.8723 | |
| 480 | V | A | 0.0773 | |
| 481 | Y | A | 0.5500 | |
| 482 | P | A | 0.0000 | |
| 483 | G | A | -0.9993 | |
| 484 | D | A | -2.8183 | |
| 485 | D | A | -2.1280 | |
| 486 | V | A | -0.3007 | |
| 487 | I | A | 0.0000 | |
| 488 | P | A | -2.7698 | |
| 489 | E | A | -3.3950 | |
| 490 | N | A | -2.9991 | |
| 491 | A | A | 0.0000 | |
| 492 | D | A | -3.0968 | |
| 493 | L | A | -1.7572 | |
| 494 | Q | A | -2.1069 | |
| 495 | E | A | -2.7592 | |
| 496 | I | A | 0.0000 | |
| 497 | A | A | 0.0000 | |
| 498 | D | A | -1.8455 | |
| 499 | W | A | -0.9998 | |
| 500 | L | A | 0.0000 | |
| 501 | K | A | -1.6137 | |
| 502 | Q | A | -1.8350 | |
| 503 | T | A | -0.7310 | |
| 504 | C | A | 0.0000 | |
| 505 | T | A | -0.3825 | |
| 506 | S | A | 0.0000 | |
| 507 | A | A | -0.2800 | |
| 508 | N | A | -0.5489 | |
| 509 | D | A | -0.4423 | |
| 510 | P | A | 0.0000 | |
| 511 | V | A | 0.0000 | |
| 512 | G | A | 0.0000 | |
| 513 | T | A | 0.0000 | |
| 514 | G | A | 0.0000 | |
| 515 | G | A | 0.0000 | |
| 516 | G | A | 0.0000 | |
| 517 | K | A | 0.0000 | |
| 518 | S | A | 0.0000 | |
| 519 | G | A | -1.1843 | |
| 520 | G | A | -1.1535 | |
| 521 | G | A | -1.1274 | |
| 522 | G | A | -1.0792 | |
| 523 | S | A | -1.0829 | |
| 524 | G | A | -0.8755 | |
| 525 | F | A | 0.0000 | |
| 526 | D | A | 0.0000 | |
| 527 | G | A | 0.0000 | |
| 528 | G | A | 0.0000 | |
| 529 | G | A | 0.0000 | |
| 530 | T | A | 0.0000 | |
| 531 | C | A | 0.0000 | |
| 532 | K | A | 0.0000 | |
| 533 | M | A | 0.0000 | |
| 534 | G | A | 0.0000 | |
| 535 | N | A | -1.2460 | |
| 536 | A | A | -0.8491 | |
| 537 | G | A | -0.9476 | |
| 538 | D | A | 0.0000 | |
| 539 | S | A | -0.3755 | |
| 540 | S | A | 0.0000 | |
| 541 | S | A | 0.0000 | |
| 542 | V | A | 0.0000 | |
| 543 | V | A | 0.0000 | |
| 544 | D | A | -1.2619 | |
| 545 | N | A | -1.3696 | |
| 546 | Q | A | -1.2616 | |
| 547 | L | A | 0.0000 | |
| 548 | R | A | -2.0073 | |
| 549 | V | A | 0.0000 | |
| 550 | H | A | -1.2744 | |
| 551 | G | A | -1.6912 | |
| 552 | V | A | 0.0000 | |
| 553 | E | A | -2.8464 | |
| 554 | G | A | -1.4151 | |
| 555 | L | A | 0.0000 | |
| 556 | R | A | -1.1325 | |
| 557 | V | A | 0.0000 | |
| 558 | V | A | 0.0000 | |
| 559 | D | A | 0.0000 | |
| 560 | A | A | -0.0642 | |
| 561 | S | A | 0.0000 | |
| 562 | V | A | 0.0000 | |
| 563 | V | A | 0.0000 | |
| 564 | P | A | 0.0000 | |
| 565 | K | A | 0.0000 | |
| 566 | I | A | 0.0000 | |
| 567 | P | A | 0.0000 | |
| 568 | G | A | 0.0000 | |
| 569 | G | A | 0.0000 | |
| 570 | H | A | -0.2533 | |
| 571 | T | A | 0.0000 | |
| 572 | G | A | -0.1943 | |
| 573 | A | A | 0.0000 | |
| 574 | P | A | 0.0000 | |
| 575 | V | A | 0.0000 | |
| 576 | V | A | 0.0000 | |
| 577 | M | A | 0.0000 | |
| 578 | I | A | 0.0000 | |
| 579 | A | A | 0.0000 | |
| 580 | E | A | 0.0000 | |
| 581 | R | A | -0.3094 | |
| 582 | A | A | 0.0000 | |
| 583 | A | A | 0.0000 | |
| 584 | A | A | 0.0220 | |
| 585 | L | A | 0.2656 | |
| 586 | L | A | 0.0844 | |
| 587 | T | A | -0.3491 | |
| 588 | G | A | -0.2568 |
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 | -0.4456 | 2.8667 | View | CSV | PDB |
| 4.5 | -0.5015 | 2.8249 | View | CSV | PDB |
| 5.0 | -0.5713 | 2.7695 | View | CSV | PDB |
| 5.5 | -0.6441 | 2.7098 | View | CSV | PDB |
| 6.0 | -0.7079 | 2.6549 | View | CSV | PDB |
| 6.5 | -0.7528 | 2.6142 | View | CSV | PDB |
| 7.0 | -0.7753 | 2.5917 | View | CSV | PDB |
| 7.5 | -0.78 | 2.5823 | View | CSV | PDB |
| 8.0 | -0.7735 | 2.579 | View | CSV | PDB |
| 8.5 | -0.7589 | 2.5779 | View | CSV | PDB |
| 9.0 | -0.7375 | 2.5775 | 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