| Chain sequence(s) |
A: AHKSEVAHRFKDLGEENFKALVLIAFAQYLQQCPFEDHVKLVNEVTEFAKTCVADESAENCDKSLHTLFGDKLCTVATLREETYGEMADCCAKQEPERNECFLQHKDDNPNLPRLVRPEVDVMCTAFHDNEETFLKKYLYEIARRHPYFYAPELLFFAKRYKAAFTECCQAADKAACLLPKLDELRDEGKASSAKQRLKCASLQKFGERAFKAWAVARLSQRFPKAEFAEVSKLVTDLTKVHTECCHGDLLEECADDRADLAKYICENQDSISSKLKECCEKPLLEKSHCIAEVENDEMPADLPSLAADFVESKDVCKNYAEAKDVFLGMFLYEYARRHPDYSVVLLLRLAKTYETTLEKCCAPHECYAKVFDEFKPLVEEPQNLIKQNCELFEQLGEYKFQNALLVRYTKKVPQVSTPTLVEVSRNLGKVGSKCCKHPEAKRMPCAEDYLSVVLNQLCVLHEKTPVSDRVTKCCTESLVNRRPCFSALEVDETYVPKEFNAETFTFHADICTLSEKERQIKKQTALVELVKHKPKATKEQLKAVMDDFAETCFAEEGKKLVAASQAALG
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] (00:00:10)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:10)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with A chain(s) selected (00:00:10)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:10)
[INFO] PDB-Info: The input structure is globular. Max score is recommended for pH analysis. (00:00:12)
[INFO] FoldX: Starting FoldX energy minimization (00:00:12)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:12:39)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/5d4ccf894cbfd4e/tmp/folded.pdb (00:12:39)
[INFO] Main: Simulation completed successfully. (00:18:53)
|
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 |
|---|---|---|---|---|
| 2 | A | A | -0.8526 | |
| 3 | H | A | -2.4168 | |
| 4 | K | A | -3.3144 | |
| 5 | S | A | 0.0000 | |
| 6 | E | A | -2.2575 | |
| 7 | V | A | 0.0000 | |
| 8 | A | A | 0.0000 | |
| 9 | H | A | -2.0026 | |
| 10 | R | A | -1.4879 | |
| 11 | F | A | 0.0000 | |
| 12 | K | A | -2.6224 | |
| 13 | D | A | -1.6552 | |
| 14 | L | A | -1.5783 | |
| 15 | G | A | -2.2650 | |
| 16 | E | A | -3.2776 | |
| 17 | E | A | -2.8346 | |
| 18 | N | A | -1.6621 | |
| 19 | F | A | 0.0000 | |
| 20 | K | A | -1.5834 | |
| 21 | A | A | 0.0000 | |
| 22 | L | A | -0.1870 | |
| 23 | V | A | 0.1090 | |
| 24 | L | A | 0.0000 | |
| 25 | I | A | 0.0000 | |
| 26 | A | A | 0.2621 | |
| 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 | -1.3537 | |
| 34 | C | A | 0.0000 | |
| 35 | P | A | -1.2390 | |
| 36 | F | A | -1.4743 | |
| 37 | E | A | -2.5289 | |
| 38 | D | A | -2.2727 | |
| 39 | H | A | 0.0000 | |
| 40 | V | A | -1.7063 | |
| 41 | K | A | -2.7283 | |
| 42 | L | A | -1.8909 | |
| 43 | V | A | 0.0000 | |
| 44 | N | A | -2.3329 | |
| 45 | E | A | -2.6527 | |
| 46 | V | A | 0.0000 | |
| 47 | T | A | 0.0000 | |
| 48 | E | A | -2.8022 | |
| 49 | F | A | -1.7714 | |
| 50 | A | A | 0.0000 | |
| 51 | K | A | -2.5626 | |
| 52 | T | A | -1.7830 | |
| 53 | C | A | 0.0000 | |
| 54 | V | A | -1.5529 | |
| 55 | A | A | -1.0904 | |
| 56 | D | A | -2.3015 | |
| 57 | E | A | -3.1341 | |
| 58 | S | A | -2.3252 | |
| 59 | A | A | -2.1005 | |
| 60 | E | A | -2.8316 | |
| 61 | N | A | -2.3393 | |
| 62 | C | A | 0.0000 | |
| 63 | D | A | -3.7000 | |
| 64 | K | A | -2.3932 | |
| 65 | S | A | -1.4189 | |
| 66 | L | A | -0.5353 | |
| 67 | H | A | -0.5471 | |
| 68 | T | A | -1.0136 | |
| 69 | L | A | 0.0000 | |
| 70 | F | A | -0.2176 | |
| 71 | G | A | 0.0000 | |
| 72 | D | A | -0.8108 | |
| 73 | K | A | -0.7517 | |
| 74 | L | A | 0.0000 | |
| 75 | C | A | -0.4518 | |
| 76 | T | A | -0.1589 | |
| 77 | V | A | -0.2471 | |
| 78 | A | A | -0.3978 | |
| 79 | T | A | -1.0283 | |
| 80 | L | A | 0.0000 | |
| 81 | R | A | -3.3986 | |
| 82 | E | A | -2.9609 | |
| 83 | T | A | -1.8901 | |
| 84 | Y | A | -1.9944 | |
| 85 | G | A | -2.6841 | |
| 86 | E | A | -3.1376 | |
| 87 | M | A | 0.0000 | |
| 88 | A | A | -2.2940 | |
| 89 | D | A | -2.8952 | |
| 90 | C | A | 0.0000 | |
| 91 | C | A | -1.6862 | |
| 92 | A | A | -1.5160 | |
| 93 | K | A | -3.0789 | |
| 94 | Q | A | -2.6054 | |
| 95 | E | A | -2.3198 | |
| 96 | P | A | -2.2790 | |
| 97 | E | A | -3.2000 | |
| 98 | R | A | 0.0000 | |
| 99 | N | A | -2.2094 | |
| 100 | E | A | -3.0509 | |
| 101 | C | A | -2.5073 | |
| 102 | F | A | 0.0000 | |
| 103 | L | A | -1.2754 | |
| 104 | Q | A | -2.1572 | |
| 105 | H | A | -1.8080 | |
| 106 | K | A | 0.0000 | |
| 107 | D | A | -2.6412 | |
| 108 | D | A | -3.1752 | |
| 109 | N | A | -2.8398 | |
| 110 | P | A | -2.4073 | |
| 111 | N | A | -2.2225 | |
| 112 | L | A | -1.2431 | |
| 113 | P | A | -0.9400 | |
| 114 | R | A | -1.4754 | |
| 115 | L | A | 0.2443 | |
| 116 | V | A | 0.8283 | |
| 117 | R | A | -0.2618 | |
| 118 | P | A | -0.6351 | |
| 119 | E | A | -1.7817 | |
| 120 | V | A | 0.0000 | |
| 121 | D | A | -1.5932 | |
| 122 | V | A | 0.0967 | |
| 123 | M | A | 0.0000 | |
| 124 | C | A | 0.0000 | |
| 125 | T | A | -1.0162 | |
| 126 | A | A | -1.3098 | |
| 127 | F | A | -2.0281 | |
| 128 | H | A | -2.5440 | |
| 129 | D | A | -3.3381 | |
| 130 | N | A | -3.4998 | |
| 131 | E | A | -3.5925 | |
| 132 | E | A | -3.3393 | |
| 133 | T | A | -2.1991 | |
| 134 | F | A | 0.0000 | |
| 135 | L | A | -1.4113 | |
| 136 | K | A | -1.2640 | |
| 137 | K | A | -1.2225 | |
| 138 | Y | A | 0.1657 | |
| 139 | L | A | 0.0000 | |
| 140 | Y | A | 0.0000 | |
| 141 | E | A | -0.0906 | |
| 142 | I | A | 0.1042 | |
| 143 | A | A | 0.0000 | |
| 144 | R | A | -0.8408 | |
| 145 | R | A | -1.5393 | |
| 146 | H | A | -1.0822 | |
| 147 | P | A | 0.0000 | |
| 148 | Y | A | -0.3458 | |
| 149 | F | A | 0.0000 | |
| 150 | Y | A | 0.2692 | |
| 151 | A | A | 0.0000 | |
| 152 | P | A | -0.0777 | |
| 153 | E | A | -0.2563 | |
| 154 | L | A | 0.0000 | |
| 155 | L | A | 0.0000 | |
| 156 | F | A | -0.5592 | |
| 157 | F | A | 0.0000 | |
| 158 | A | A | -0.9699 | |
| 159 | K | A | -1.8424 | |
| 160 | R | A | -2.2796 | |
| 161 | Y | A | -1.4254 | |
| 162 | K | A | -1.9712 | |
| 163 | A | A | -1.7160 | |
| 164 | A | A | 0.0000 | |
| 165 | F | A | 0.0000 | |
| 166 | T | A | -1.7510 | |
| 167 | E | A | -2.2795 | |
| 168 | C | A | 0.0000 | |
| 169 | C | A | 0.0000 | |
| 170 | Q | A | -1.9961 | |
| 171 | A | A | -1.6348 | |
| 172 | A | A | -1.1756 | |
| 173 | D | A | -2.1090 | |
| 174 | K | A | -1.9990 | |
| 175 | A | A | -1.0967 | |
| 176 | A | A | -0.4613 | |
| 177 | C | A | -0.7384 | |
| 178 | L | A | 0.0000 | |
| 179 | L | A | -0.1331 | |
| 180 | P | A | -0.8799 | |
| 181 | K | A | -1.6635 | |
| 182 | L | A | 0.0000 | |
| 183 | D | A | -2.6255 | |
| 184 | E | A | -3.7906 | |
| 185 | L | A | -3.2871 | |
| 186 | R | A | -3.8078 | |
| 187 | D | A | -4.5321 | |
| 188 | E | A | -4.1067 | |
| 189 | G | A | -3.0403 | |
| 190 | K | A | -3.4535 | |
| 191 | A | A | -2.3673 | |
| 192 | S | A | -1.9342 | |
| 193 | S | A | -1.7194 | |
| 194 | A | A | 0.0000 | |
| 195 | K | A | -1.5643 | |
| 196 | Q | A | -1.3737 | |
| 197 | R | A | -1.9180 | |
| 198 | L | A | -0.9826 | |
| 199 | K | A | -0.9539 | |
| 200 | C | A | -1.4089 | |
| 201 | A | A | -1.2627 | |
| 202 | S | A | -1.2775 | |
| 203 | L | A | 0.0000 | |
| 204 | Q | A | -2.2280 | |
| 205 | K | A | -2.2521 | |
| 206 | F | A | -1.4393 | |
| 207 | G | A | -2.1994 | |
| 208 | E | A | -3.3001 | |
| 209 | R | A | -2.7942 | |
| 210 | A | A | -1.4668 | |
| 211 | F | A | 0.0000 | |
| 212 | K | A | -2.1602 | |
| 213 | A | A | -1.2360 | |
| 214 | W | A | -0.4409 | |
| 215 | A | A | 0.0000 | |
| 216 | V | A | 0.0000 | |
| 217 | A | A | 0.0000 | |
| 218 | R | A | -0.5677 | |
| 219 | L | A | 0.0000 | |
| 220 | S | A | 0.0000 | |
| 221 | Q | A | 0.0000 | |
| 222 | R | A | -1.6689 | |
| 223 | F | A | 0.0000 | |
| 224 | P | A | 0.0000 | |
| 225 | K | A | -2.2505 | |
| 226 | A | A | 0.0000 | |
| 227 | E | A | -2.0226 | |
| 228 | F | A | -0.8012 | |
| 229 | A | A | -0.7646 | |
| 230 | E | A | 0.0000 | |
| 231 | V | A | 0.0000 | |
| 232 | S | A | -0.9361 | |
| 233 | K | A | -1.6260 | |
| 234 | L | A | 0.0000 | |
| 235 | V | A | 0.0000 | |
| 236 | T | A | -1.4829 | |
| 237 | D | A | -2.0484 | |
| 238 | L | A | -1.1531 | |
| 239 | T | A | 0.0000 | |
| 240 | K | A | -2.4534 | |
| 241 | V | A | 0.0000 | |
| 242 | H | A | 0.0000 | |
| 243 | T | A | -1.6692 | |
| 244 | E | A | -1.9663 | |
| 245 | C | A | -1.2060 | |
| 246 | C | A | -1.1225 | |
| 247 | H | A | -1.5565 | |
| 248 | G | A | -0.8033 | |
| 249 | D | A | 0.0000 | |
| 250 | L | A | -0.2651 | |
| 251 | L | A | -0.7009 | |
| 252 | E | A | -2.0088 | |
| 253 | C | A | 0.0000 | |
| 254 | A | A | -1.5475 | |
| 255 | D | A | -2.8697 | |
| 256 | D | A | -3.0170 | |
| 257 | R | A | -2.3156 | |
| 258 | A | A | -2.3121 | |
| 259 | D | A | -3.0596 | |
| 260 | L | A | 0.0000 | |
| 261 | A | A | 0.0000 | |
| 262 | K | A | -2.5397 | |
| 263 | Y | A | -1.7672 | |
| 264 | I | A | 0.0000 | |
| 265 | C | A | -2.4220 | |
| 266 | E | A | -2.5861 | |
| 267 | N | A | -2.0397 | |
| 268 | Q | A | -2.2198 | |
| 269 | D | A | -2.7668 | |
| 270 | S | A | -2.0033 | |
| 271 | I | A | 0.0000 | |
| 272 | S | A | 0.0000 | |
| 273 | S | A | -1.7276 | |
| 274 | K | A | -2.1744 | |
| 275 | L | A | 0.0000 | |
| 276 | K | A | -3.4203 | |
| 277 | E | A | -3.4261 | |
| 278 | C | A | 0.0000 | |
| 279 | C | A | -2.8436 | |
| 280 | E | A | -3.2102 | |
| 281 | K | A | -2.3633 | |
| 282 | P | A | -1.0651 | |
| 283 | L | A | -0.8989 | |
| 284 | L | A | -0.3445 | |
| 285 | E | A | -1.0913 | |
| 286 | K | A | -1.4471 | |
| 287 | S | A | -1.2053 | |
| 288 | H | A | -0.8862 | |
| 289 | C | A | -1.3775 | |
| 290 | I | A | 0.0000 | |
| 291 | A | A | -1.1564 | |
| 292 | E | A | -2.3346 | |
| 293 | V | A | 0.0000 | |
| 294 | E | A | -2.8073 | |
| 295 | N | A | -2.2351 | |
| 296 | D | A | 0.0000 | |
| 297 | E | A | -2.4033 | |
| 298 | M | A | -1.3389 | |
| 299 | P | A | -1.1955 | |
| 300 | A | A | -1.1359 | |
| 301 | D | A | -1.7054 | |
| 302 | L | A | -0.9535 | |
| 303 | P | A | -0.7277 | |
| 304 | S | A | -0.7391 | |
| 305 | L | A | 0.0000 | |
| 306 | A | A | -1.1465 | |
| 307 | A | A | -1.6998 | |
| 308 | D | A | -2.6703 | |
| 309 | F | A | 0.0000 | |
| 310 | V | A | -1.9192 | |
| 311 | E | A | -2.9653 | |
| 312 | S | A | -3.0061 | |
| 313 | K | A | -3.4898 | |
| 314 | D | A | -3.1011 | |
| 315 | V | A | 0.0000 | |
| 316 | C | A | 0.0000 | |
| 317 | K | A | -3.4439 | |
| 318 | N | A | -3.2490 | |
| 319 | Y | A | 0.0000 | |
| 320 | A | A | -2.4411 | |
| 321 | E | A | -2.8873 | |
| 322 | A | A | -1.8683 | |
| 323 | K | A | -2.3847 | |
| 324 | D | A | -1.9131 | |
| 325 | V | A | 0.0155 | |
| 326 | F | A | 0.0000 | |
| 327 | L | A | 0.0000 | |
| 328 | G | A | -0.0618 | |
| 329 | M | A | 0.1482 | |
| 330 | F | A | 0.0000 | |
| 331 | L | A | 0.0000 | |
| 332 | Y | A | 0.0000 | |
| 333 | E | A | -0.6828 | |
| 334 | Y | A | 0.0000 | |
| 335 | A | A | 0.0000 | |
| 336 | R | A | -1.0223 | |
| 337 | R | A | -0.7233 | |
| 338 | H | A | -0.5844 | |
| 339 | P | A | -1.1451 | |
| 340 | D | A | -1.5658 | |
| 341 | Y | A | 0.0000 | |
| 342 | S | A | 0.0000 | |
| 343 | V | A | 0.0000 | |
| 344 | V | A | 0.2712 | |
| 345 | L | A | 0.0000 | |
| 346 | L | A | 0.0000 | |
| 347 | L | A | -0.0799 | |
| 348 | R | A | 0.0000 | |
| 349 | L | A | 0.0000 | |
| 350 | A | A | -0.7775 | |
| 351 | K | A | -1.7075 | |
| 352 | T | A | -0.9923 | |
| 353 | Y | A | 0.0000 | |
| 354 | E | A | -1.7123 | |
| 355 | T | A | -1.3957 | |
| 356 | T | A | 0.0000 | |
| 357 | L | A | 0.0000 | |
| 358 | E | A | -2.1077 | |
| 359 | K | A | -2.2366 | |
| 360 | C | A | 0.0000 | |
| 361 | C | A | -1.4111 | |
| 362 | A | A | -0.8493 | |
| 366 | P | A | -1.1013 | |
| 367 | H | A | -2.2860 | |
| 368 | E | A | -2.5800 | |
| 369 | C | A | -0.9440 | |
| 370 | Y | A | 0.0000 | |
| 371 | A | A | -1.6597 | |
| 372 | K | A | -2.3666 | |
| 373 | V | A | 0.0000 | |
| 374 | F | A | -1.5747 | |
| 375 | D | A | -3.1345 | |
| 376 | E | A | -2.5851 | |
| 377 | F | A | 0.0000 | |
| 378 | K | A | -2.8841 | |
| 379 | P | A | -2.0328 | |
| 380 | L | A | -1.2556 | |
| 381 | V | A | -1.4499 | |
| 382 | E | A | -2.1869 | |
| 383 | E | A | -1.6896 | |
| 384 | P | A | 0.0000 | |
| 385 | Q | A | -1.8893 | |
| 386 | N | A | -1.6787 | |
| 387 | L | A | -1.0619 | |
| 388 | I | A | -1.5963 | |
| 389 | K | A | -2.6706 | |
| 390 | Q | A | -1.9279 | |
| 391 | N | A | -1.6731 | |
| 392 | C | A | 0.0000 | |
| 393 | E | A | -3.0690 | |
| 394 | L | A | 0.0000 | |
| 395 | F | A | -1.8286 | |
| 396 | E | A | -2.9065 | |
| 397 | Q | A | -1.8542 | |
| 398 | L | A | 0.0000 | |
| 399 | G | A | -1.1690 | |
| 400 | E | A | -1.3220 | |
| 401 | Y | A | -0.9984 | |
| 402 | K | A | -1.0403 | |
| 403 | F | A | 0.0000 | |
| 404 | Q | A | 0.0000 | |
| 405 | N | A | 0.0000 | |
| 406 | A | A | 0.0000 | |
| 407 | L | A | -0.1766 | |
| 408 | L | A | 0.0000 | |
| 409 | V | A | -0.4536 | |
| 410 | R | A | -0.8211 | |
| 411 | Y | A | -0.4223 | |
| 412 | T | A | 0.0000 | |
| 413 | K | A | -1.1223 | |
| 414 | K | A | -1.0891 | |
| 415 | V | A | 0.0000 | |
| 416 | P | A | 0.0000 | |
| 417 | Q | A | -0.3540 | |
| 418 | V | A | 0.0000 | |
| 419 | S | A | -0.2488 | |
| 420 | T | A | -0.5259 | |
| 421 | P | A | -0.7840 | |
| 422 | T | A | -0.7605 | |
| 423 | L | A | 0.0000 | |
| 424 | V | A | 0.0000 | |
| 425 | E | A | -1.8785 | |
| 426 | V | A | 0.0000 | |
| 427 | S | A | 0.0000 | |
| 428 | R | A | -1.0448 | |
| 429 | N | A | -0.8638 | |
| 430 | L | A | -0.6062 | |
| 431 | G | A | 0.0000 | |
| 432 | K | A | -1.4456 | |
| 433 | V | A | 0.0000 | |
| 434 | G | A | 0.0000 | |
| 435 | S | A | -2.0120 | |
| 436 | K | A | -2.4694 | |
| 437 | C | A | 0.0000 | |
| 438 | C | A | 0.0000 | |
| 439 | K | A | -3.1141 | |
| 440 | H | A | -2.6820 | |
| 441 | P | A | -2.3126 | |
| 442 | E | A | -3.1334 | |
| 443 | A | A | -2.1406 | |
| 444 | K | A | -2.8655 | |
| 445 | R | A | -2.5955 | |
| 446 | M | A | 0.0000 | |
| 447 | P | A | -0.8086 | |
| 448 | C | A | -1.0358 | |
| 449 | A | A | -0.5844 | |
| 450 | E | A | -0.4386 | |
| 451 | D | A | -0.6670 | |
| 452 | Y | A | -0.2918 | |
| 453 | L | A | 0.0378 | |
| 454 | S | A | -0.2268 | |
| 455 | V | A | 0.0000 | |
| 456 | V | A | 0.0000 | |
| 457 | L | A | 0.0000 | |
| 458 | N | A | 0.0000 | |
| 459 | Q | A | -0.4816 | |
| 460 | L | A | 0.0000 | |
| 461 | C | A | 0.0000 | |
| 462 | V | A | -0.4536 | |
| 463 | L | A | -0.2020 | |
| 464 | H | A | 0.0000 | |
| 465 | E | A | -2.2774 | |
| 466 | K | A | -2.2059 | |
| 467 | T | A | -1.0071 | |
| 468 | P | A | -0.9335 | |
| 469 | V | A | -0.1089 | |
| 470 | S | A | -0.9110 | |
| 471 | D | A | -2.1925 | |
| 472 | R | A | -1.7932 | |
| 473 | V | A | 0.0000 | |
| 474 | T | A | -1.9353 | |
| 475 | K | A | -2.6093 | |
| 476 | C | A | 0.0000 | |
| 477 | C | A | 0.0000 | |
| 478 | T | A | -1.5233 | |
| 479 | E | A | -1.3503 | |
| 480 | S | A | -0.7198 | |
| 481 | L | A | 0.0259 | |
| 482 | V | A | -0.0811 | |
| 483 | N | A | -0.8439 | |
| 484 | R | A | -0.8183 | |
| 485 | R | A | -0.3967 | |
| 486 | P | A | -0.4141 | |
| 487 | C | A | -0.7094 | |
| 488 | F | A | 0.0000 | |
| 489 | S | A | -0.4446 | |
| 490 | A | A | -0.4519 | |
| 491 | L | A | 0.0000 | |
| 492 | E | A | -1.9304 | |
| 493 | V | A | -1.0240 | |
| 494 | D | A | -1.1127 | |
| 495 | E | A | -1.9623 | |
| 496 | T | A | -0.4029 | |
| 497 | Y | A | 0.2933 | |
| 498 | V | A | 1.0266 | |
| 499 | P | A | -0.2736 | |
| 500 | K | A | -1.3200 | |
| 501 | E | A | -1.9088 | |
| 502 | F | A | -1.1351 | |
| 503 | N | A | -1.5541 | |
| 504 | A | A | -1.3279 | |
| 505 | E | A | -1.8926 | |
| 506 | T | A | -0.8808 | |
| 507 | F | A | 0.0000 | |
| 508 | T | A | -0.5295 | |
| 509 | F | A | -0.3588 | |
| 510 | H | A | -0.4464 | |
| 511 | A | A | -0.4394 | |
| 512 | D | A | -1.4905 | |
| 513 | I | A | -1.2593 | |
| 514 | C | A | -0.1120 | |
| 515 | T | A | -0.5703 | |
| 516 | L | A | -1.3092 | |
| 517 | S | A | -2.0991 | |
| 518 | E | A | -3.1489 | |
| 519 | K | A | -3.3781 | |
| 520 | E | A | -3.3642 | |
| 521 | R | A | -3.0672 | |
| 522 | Q | A | -2.3828 | |
| 523 | I | A | -1.8219 | |
| 524 | K | A | -1.7247 | |
| 525 | K | A | -1.5022 | |
| 526 | Q | A | 0.0000 | |
| 527 | T | A | -0.5336 | |
| 528 | A | A | -0.1699 | |
| 529 | L | A | 0.1109 | |
| 530 | V | A | 0.0000 | |
| 531 | E | A | 0.0000 | |
| 532 | L | A | 0.3506 | |
| 533 | V | A | 0.0000 | |
| 534 | K | A | 0.0000 | |
| 535 | H | A | -0.8262 | |
| 536 | K | A | -0.7780 | |
| 537 | P | A | -1.0292 | |
| 538 | K | A | -2.1989 | |
| 539 | A | A | -1.3151 | |
| 540 | T | A | -1.6732 | |
| 541 | K | A | -2.6564 | |
| 542 | E | A | -2.2465 | |
| 543 | Q | A | -1.1279 | |
| 544 | L | A | -1.0989 | |
| 545 | K | A | -1.5806 | |
| 546 | A | A | -0.2244 | |
| 547 | V | A | 0.1502 | |
| 548 | M | A | 0.1495 | |
| 549 | D | A | -1.6087 | |
| 550 | D | A | -1.5116 | |
| 551 | F | A | 0.5758 | |
| 552 | A | A | -0.3092 | |
| 565 | E | A | -1.9816 | |
| 566 | T | A | -1.1276 | |
| 567 | C | A | -0.8289 | |
| 568 | F | A | 0.2711 | |
| 569 | A | A | -1.0991 | |
| 570 | E | A | -2.6313 | |
| 571 | E | A | -2.5946 | |
| 572 | G | A | 0.0000 | |
| 573 | K | A | -2.0020 | |
| 574 | K | A | -2.3799 | |
| 575 | L | A | -0.1466 | |
| 576 | V | A | 0.0000 | |
| 577 | A | A | -0.5641 | |
| 578 | A | A | -0.2717 | |
| 579 | S | A | -0.1304 | |
| 580 | Q | A | -0.6946 | |
| 581 | A | A | -0.3944 | |
| 582 | A | A | 0.0022 | |
| 583 | L | A | -0.4088 | |
| 584 | G | A | -0.8005 |
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 | -0.9108 | 4.3989 | View | CSV | PDB |
| 4.5 | -1.0256 | 4.0967 | View | CSV | PDB |
| 5.0 | -1.1701 | 3.7357 | View | CSV | PDB |
| 5.5 | -1.3152 | 3.3494 | View | CSV | PDB |
| 6.0 | -1.4299 | 2.9625 | View | CSV | PDB |
| 6.5 | -1.4929 | 2.5943 | View | CSV | PDB |
| 7.0 | -1.503 | 2.2565 | View | CSV | PDB |
| 7.5 | -1.4759 | 1.9479 | View | CSV | PDB |
| 8.0 | -1.4284 | 1.6855 | View | CSV | PDB |
| 8.5 | -1.3674 | 1.7156 | View | CSV | PDB |
| 9.0 | -1.2933 | 1.7529 | 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