| Chain sequence(s) |
A: PDERAPLARYYRALGEERFRDLLLLHFSQLLQKAPFEELLELVEELLEFARRCVADPDLPGCDDSLQTLIGSRICEVPNLKETYGDLAECCKLEEPERWECFLSHLDLDPGHEKEEIDPEKLCAEYKKDKELFRRKFIYRVASKYPFIDPTLLLYYAEKFVGIFDECCEKDNIKECLLPKLKELEKEIEEENLKSLMLKYMIEHFGEETLYMYLVVELSKRFPSADFDLIEELVEKATEVYVLNARGDLLAATAKAFELTDWICNNLDKISSKLEECCKKEPLERYYCILTVENDEIPKNVKPLEEEFVNDPNIIEKYKKDPKGFLNRFAYEYARQNPDLANILLMRLVETYREKLEECGKKEDPLSCIKGVLEELDKLKEKFKPVVKKLCEEGKRLGEKGFTLYLLVRVTRKLPEVSVETLVEFSIKLGELYSICCGLPEEKRLPCFLEYAYLVLTELCALELKNPRDPRLREICESSFYTMIENFLSLEPSDDYTPKPFDESKFTFTPKIFELSPEEQFKEKAKWLVELIKTYPNISDEKLEEVLKMFEEFLKKCGSSSDKEACFEKLNPEFIKKVKELCS
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 globular. Max 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 (00:18:07)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/dbdc4edbd4ec010/tmp/folded.pdb (00:18:08)
[INFO] Main: Simulation completed successfully. (00:21:14)
|
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 | P | A | -2.5076 | |
| 2 | D | A | -4.0614 | |
| 3 | E | A | -4.1413 | |
| 4 | R | A | -4.5547 | |
| 5 | A | A | 0.0000 | |
| 6 | P | A | -2.2873 | |
| 7 | L | A | 0.0000 | |
| 8 | A | A | 0.0000 | |
| 9 | R | A | -2.7011 | |
| 10 | Y | A | 0.0000 | |
| 11 | Y | A | -1.6385 | |
| 12 | R | A | -2.4155 | |
| 13 | A | A | -1.4980 | |
| 14 | L | A | 0.0000 | |
| 15 | G | A | -1.7932 | |
| 16 | E | A | -2.1402 | |
| 17 | E | A | -2.5225 | |
| 18 | R | A | -1.7941 | |
| 19 | F | A | 0.0000 | |
| 20 | R | A | -1.6084 | |
| 21 | D | A | 0.0000 | |
| 22 | L | A | 0.0000 | |
| 23 | L | A | 0.0000 | |
| 24 | L | A | 0.0000 | |
| 25 | L | A | 0.0000 | |
| 26 | H | A | 0.0000 | |
| 27 | F | A | 0.0000 | |
| 28 | S | A | 0.0000 | |
| 29 | Q | A | 0.0000 | |
| 30 | L | A | 0.0000 | |
| 31 | L | A | 0.0000 | |
| 32 | Q | A | 0.0000 | |
| 33 | K | A | -1.9588 | |
| 34 | A | A | 0.0000 | |
| 35 | P | A | -1.6503 | |
| 36 | F | A | 0.0000 | |
| 37 | E | A | -2.9354 | |
| 38 | E | A | -2.7450 | |
| 39 | L | A | 0.0000 | |
| 40 | L | A | -2.3804 | |
| 41 | E | A | -3.4509 | |
| 42 | L | A | -2.3482 | |
| 43 | V | A | 0.0000 | |
| 44 | E | A | -3.3706 | |
| 45 | E | A | -3.1696 | |
| 46 | L | A | 0.0000 | |
| 47 | L | A | 0.0000 | |
| 48 | E | A | -3.1393 | |
| 49 | F | A | -1.9977 | |
| 50 | A | A | 0.0000 | |
| 51 | R | A | -2.4373 | |
| 52 | R | A | -3.0141 | |
| 53 | C | A | 0.0000 | |
| 54 | V | A | -2.0767 | |
| 55 | A | A | -1.6615 | |
| 56 | D | A | -2.8092 | |
| 57 | P | A | -3.4154 | |
| 58 | D | A | -3.1210 | |
| 59 | L | A | -1.7975 | |
| 60 | P | A | -1.2782 | |
| 61 | G | A | -1.2699 | |
| 62 | C | A | 0.0000 | |
| 63 | D | A | -3.6378 | |
| 64 | D | A | -1.9840 | |
| 65 | S | A | -1.2415 | |
| 66 | L | A | 0.0000 | |
| 67 | Q | A | -0.7702 | |
| 68 | T | A | -0.7908 | |
| 69 | L | A | 0.0000 | |
| 70 | I | A | 0.0000 | |
| 71 | G | A | 0.0000 | |
| 72 | S | A | -0.4378 | |
| 73 | R | A | 0.0000 | |
| 74 | I | A | 0.0000 | |
| 75 | C | A | -1.2644 | |
| 76 | E | A | -1.8279 | |
| 77 | V | A | -1.4386 | |
| 78 | P | A | -1.7093 | |
| 79 | N | A | -2.7266 | |
| 80 | L | A | 0.0000 | |
| 81 | K | A | -3.5583 | |
| 82 | E | A | -3.3579 | |
| 83 | T | A | -2.2759 | |
| 84 | Y | A | -2.0995 | |
| 85 | G | A | -2.5150 | |
| 86 | D | A | -2.7519 | |
| 87 | L | A | 0.0000 | |
| 88 | A | A | -2.4050 | |
| 89 | E | A | -2.0893 | |
| 90 | C | A | 0.0000 | |
| 91 | C | A | -1.6665 | |
| 92 | K | A | -2.1432 | |
| 93 | L | A | -2.0733 | |
| 94 | E | A | -2.8160 | |
| 95 | E | A | -2.5691 | |
| 96 | P | A | -2.4152 | |
| 97 | E | A | -3.3516 | |
| 98 | R | A | -2.7139 | |
| 99 | W | A | 0.0000 | |
| 100 | E | A | -2.8851 | |
| 101 | C | A | -1.8726 | |
| 102 | F | A | 0.0000 | |
| 103 | L | A | -1.1817 | |
| 104 | S | A | -1.0282 | |
| 105 | H | A | -1.2403 | |
| 106 | L | A | -0.7605 | |
| 107 | D | A | -2.1293 | |
| 108 | L | A | -1.4436 | |
| 109 | D | A | -2.4675 | |
| 110 | P | A | -2.3658 | |
| 111 | G | A | -2.4245 | |
| 112 | H | A | -3.1485 | |
| 113 | E | A | -3.6892 | |
| 114 | K | A | -3.9211 | |
| 115 | E | A | -3.8176 | |
| 116 | E | A | -2.8515 | |
| 117 | I | A | -1.1136 | |
| 118 | D | A | -1.9830 | |
| 119 | P | A | 0.0000 | |
| 120 | E | A | -3.0029 | |
| 121 | K | A | -3.0024 | |
| 122 | L | A | -1.9889 | |
| 123 | C | A | 0.0000 | |
| 124 | A | A | -2.9689 | |
| 125 | E | A | -3.5747 | |
| 126 | Y | A | 0.0000 | |
| 127 | K | A | -4.2522 | |
| 128 | K | A | -4.0465 | |
| 129 | D | A | -3.9651 | |
| 130 | K | A | -4.2960 | |
| 131 | E | A | -3.2675 | |
| 132 | L | A | -1.9043 | |
| 133 | F | A | 0.0000 | |
| 134 | R | A | -1.8324 | |
| 135 | R | A | -1.3023 | |
| 136 | K | A | -1.5960 | |
| 137 | F | A | -0.8222 | |
| 138 | I | A | 0.0000 | |
| 139 | Y | A | -0.9644 | |
| 140 | R | A | -1.8147 | |
| 141 | V | A | 0.0000 | |
| 142 | A | A | 0.0000 | |
| 143 | S | A | 0.0000 | |
| 144 | K | A | -2.1782 | |
| 145 | Y | A | 0.0000 | |
| 146 | P | A | 0.0000 | |
| 147 | F | A | -0.2123 | |
| 148 | I | A | 0.0000 | |
| 149 | D | A | 0.0000 | |
| 150 | P | A | 0.0000 | |
| 151 | T | A | 0.0000 | |
| 152 | L | A | 0.0000 | |
| 153 | L | A | 0.0000 | |
| 154 | L | A | 0.0000 | |
| 155 | Y | A | -0.7298 | |
| 156 | Y | A | 0.0000 | |
| 157 | A | A | 0.0000 | |
| 158 | E | A | -2.0080 | |
| 159 | K | A | -1.8801 | |
| 160 | F | A | -1.2043 | |
| 161 | V | A | 0.0000 | |
| 162 | G | A | -2.0459 | |
| 163 | I | A | 0.0000 | |
| 164 | F | A | 0.0000 | |
| 165 | D | A | -3.7190 | |
| 166 | E | A | -3.4323 | |
| 167 | C | A | 0.0000 | |
| 168 | C | A | -3.2636 | |
| 169 | E | A | -3.7207 | |
| 170 | K | A | -4.1010 | |
| 171 | D | A | -3.6460 | |
| 172 | N | A | -3.5561 | |
| 173 | I | A | -3.3631 | |
| 174 | K | A | -3.3609 | |
| 175 | E | A | -3.2857 | |
| 176 | C | A | 0.0000 | |
| 177 | L | A | 0.0000 | |
| 178 | L | A | -1.4569 | |
| 179 | P | A | -2.0434 | |
| 180 | K | A | -2.1699 | |
| 181 | L | A | -1.9150 | |
| 182 | K | A | -3.4984 | |
| 183 | E | A | -3.9636 | |
| 184 | L | A | 0.0000 | |
| 185 | E | A | -3.8049 | |
| 186 | K | A | -4.2370 | |
| 187 | E | A | -3.2334 | |
| 188 | I | A | 0.0000 | |
| 189 | E | A | -2.6224 | |
| 190 | E | A | -2.3637 | |
| 191 | E | A | -1.6446 | |
| 192 | N | A | 0.0000 | |
| 193 | L | A | 0.0000 | |
| 194 | K | A | -0.8719 | |
| 195 | S | A | 0.0000 | |
| 196 | L | A | 0.0000 | |
| 197 | M | A | 0.0000 | |
| 198 | L | A | 0.0000 | |
| 199 | K | A | -1.1144 | |
| 200 | Y | A | 0.0000 | |
| 201 | M | A | 0.0000 | |
| 202 | I | A | -1.7646 | |
| 203 | E | A | -2.4648 | |
| 204 | H | A | -1.9911 | |
| 205 | F | A | -1.3458 | |
| 206 | G | A | -1.6590 | |
| 207 | E | A | -2.3289 | |
| 208 | E | A | -2.3907 | |
| 209 | T | A | 0.0000 | |
| 210 | L | A | 0.0000 | |
| 211 | Y | A | -1.2544 | |
| 212 | M | A | -0.6397 | |
| 213 | Y | A | 0.0000 | |
| 214 | L | A | 0.0000 | |
| 215 | V | A | 0.0000 | |
| 216 | V | A | 0.0000 | |
| 217 | E | A | -0.3855 | |
| 218 | L | A | -0.2442 | |
| 219 | S | A | 0.0000 | |
| 220 | K | A | -1.3685 | |
| 221 | R | A | -1.3152 | |
| 222 | F | A | 0.0000 | |
| 223 | P | A | 0.0000 | |
| 224 | S | A | -1.4271 | |
| 225 | A | A | 0.0000 | |
| 226 | D | A | -2.6750 | |
| 227 | F | A | 0.0000 | |
| 228 | D | A | -2.8249 | |
| 229 | L | A | -2.3418 | |
| 230 | I | A | 0.0000 | |
| 231 | E | A | -2.5133 | |
| 232 | E | A | -2.5867 | |
| 233 | L | A | 0.0000 | |
| 234 | V | A | 0.0000 | |
| 235 | E | A | -2.9552 | |
| 236 | K | A | -2.6691 | |
| 237 | A | A | 0.0000 | |
| 238 | T | A | -1.8976 | |
| 239 | E | A | -2.1797 | |
| 240 | V | A | 0.0000 | |
| 241 | Y | A | -0.7874 | |
| 242 | V | A | 0.0000 | |
| 243 | L | A | -1.0288 | |
| 244 | N | A | -0.8764 | |
| 245 | A | A | 0.0000 | |
| 246 | R | A | -2.3473 | |
| 247 | G | A | 0.0000 | |
| 248 | D | A | -0.7664 | |
| 249 | L | A | 0.0000 | |
| 250 | L | A | 0.0000 | |
| 251 | A | A | 0.0000 | |
| 252 | A | A | 0.0000 | |
| 253 | T | A | 0.0000 | |
| 254 | A | A | -0.9900 | |
| 255 | K | A | -1.7505 | |
| 256 | A | A | 0.0000 | |
| 257 | F | A | -1.2679 | |
| 258 | E | A | -2.4559 | |
| 259 | L | A | 0.0000 | |
| 260 | T | A | 0.0000 | |
| 261 | D | A | -2.1519 | |
| 262 | W | A | -1.4047 | |
| 263 | I | A | 0.0000 | |
| 264 | C | A | -1.8427 | |
| 265 | N | A | -1.9735 | |
| 266 | N | A | -1.7893 | |
| 267 | L | A | -1.9856 | |
| 268 | D | A | -3.0091 | |
| 269 | K | A | -3.0014 | |
| 270 | I | A | 0.0000 | |
| 271 | S | A | 0.0000 | |
| 272 | S | A | -1.9312 | |
| 273 | K | A | -2.3931 | |
| 274 | L | A | 0.0000 | |
| 275 | E | A | -2.7370 | |
| 276 | E | A | -3.1202 | |
| 277 | C | A | 0.0000 | |
| 278 | C | A | -2.6100 | |
| 279 | K | A | -3.2602 | |
| 280 | K | A | -3.0853 | |
| 281 | E | A | -2.8140 | |
| 282 | P | A | -1.8639 | |
| 283 | L | A | 0.0000 | |
| 284 | E | A | -1.7668 | |
| 285 | R | A | -1.7932 | |
| 286 | Y | A | 0.0000 | |
| 287 | Y | A | 0.0873 | |
| 288 | C | A | -0.4126 | |
| 289 | I | A | 0.0000 | |
| 290 | L | A | 0.1877 | |
| 291 | T | A | -0.2627 | |
| 292 | V | A | -1.1728 | |
| 293 | E | A | -2.5130 | |
| 294 | N | A | -2.4828 | |
| 295 | D | A | -2.1231 | |
| 296 | E | A | -2.3598 | |
| 297 | I | A | -1.1284 | |
| 298 | P | A | -1.4011 | |
| 299 | K | A | -2.4931 | |
| 300 | N | A | -2.1667 | |
| 301 | V | A | -1.3621 | |
| 302 | K | A | -2.4178 | |
| 303 | P | A | -1.9832 | |
| 304 | L | A | -1.7999 | |
| 305 | E | A | -2.9477 | |
| 306 | E | A | -3.5715 | |
| 307 | E | A | -3.2849 | |
| 308 | F | A | 0.0000 | |
| 309 | V | A | 0.0000 | |
| 310 | N | A | -2.6989 | |
| 311 | D | A | -2.4234 | |
| 312 | P | A | -1.6089 | |
| 313 | N | A | -2.3939 | |
| 314 | I | A | 0.0000 | |
| 315 | I | A | -2.4804 | |
| 316 | E | A | -4.0155 | |
| 317 | K | A | -3.8591 | |
| 318 | Y | A | 0.0000 | |
| 319 | K | A | -4.3406 | |
| 320 | K | A | -4.4411 | |
| 321 | D | A | -4.1482 | |
| 322 | P | A | -3.2635 | |
| 323 | K | A | -3.1285 | |
| 324 | G | A | -2.0817 | |
| 325 | F | A | -2.0459 | |
| 326 | L | A | 0.0000 | |
| 327 | N | A | 0.0000 | |
| 328 | R | A | -1.6494 | |
| 329 | F | A | 0.0000 | |
| 330 | A | A | 0.0000 | |
| 331 | Y | A | 0.0000 | |
| 332 | E | A | -0.9321 | |
| 333 | Y | A | 0.0000 | |
| 334 | A | A | 0.0000 | |
| 335 | R | A | -0.9676 | |
| 336 | Q | A | -1.0457 | |
| 337 | N | A | -0.9267 | |
| 338 | P | A | -1.4965 | |
| 339 | D | A | -2.5599 | |
| 340 | L | A | -1.2933 | |
| 341 | A | A | 0.0000 | |
| 342 | N | A | 0.0000 | |
| 343 | I | A | 0.0000 | |
| 344 | L | A | 0.0000 | |
| 345 | L | A | 0.0000 | |
| 346 | M | A | 0.0000 | |
| 347 | R | A | -0.3645 | |
| 348 | L | A | 0.0000 | |
| 349 | V | A | 0.0000 | |
| 350 | E | A | -1.0384 | |
| 351 | T | A | -1.3811 | |
| 352 | Y | A | 0.0000 | |
| 353 | R | A | -2.2658 | |
| 354 | E | A | -3.1021 | |
| 355 | K | A | -2.5899 | |
| 356 | L | A | 0.0000 | |
| 357 | E | A | -3.2684 | |
| 358 | E | A | -3.6313 | |
| 359 | C | A | 0.0000 | |
| 360 | G | A | -3.2650 | |
| 361 | K | A | -3.5450 | |
| 362 | K | A | -3.6533 | |
| 363 | E | A | -3.3717 | |
| 364 | D | A | -2.8325 | |
| 365 | P | A | -2.5638 | |
| 366 | L | A | -1.5369 | |
| 367 | S | A | -1.5737 | |
| 368 | C | A | -1.8013 | |
| 369 | I | A | 0.0000 | |
| 370 | K | A | -2.4269 | |
| 371 | G | A | -2.3392 | |
| 372 | V | A | 0.0000 | |
| 373 | L | A | -2.4732 | |
| 374 | E | A | -3.9899 | |
| 375 | E | A | -4.0894 | |
| 376 | L | A | 0.0000 | |
| 377 | D | A | -4.4586 | |
| 378 | K | A | -4.4876 | |
| 379 | L | A | -3.1614 | |
| 380 | K | A | -3.1696 | |
| 381 | E | A | -3.6619 | |
| 382 | K | A | -2.9126 | |
| 383 | F | A | 0.0000 | |
| 384 | K | A | -2.6299 | |
| 385 | P | A | -1.6092 | |
| 386 | V | A | -0.9111 | |
| 387 | V | A | 0.0000 | |
| 388 | K | A | -2.5285 | |
| 389 | K | A | -2.7642 | |
| 390 | L | A | -1.6281 | |
| 391 | C | A | 0.0000 | |
| 392 | E | A | -3.4538 | |
| 393 | E | A | 0.0000 | |
| 394 | G | A | 0.0000 | |
| 395 | K | A | -3.5653 | |
| 396 | R | A | -3.1076 | |
| 397 | L | A | -1.8701 | |
| 398 | G | A | -2.4991 | |
| 399 | E | A | -3.1504 | |
| 400 | K | A | -2.4571 | |
| 401 | G | A | -1.6607 | |
| 402 | F | A | 0.0000 | |
| 403 | T | A | 0.0000 | |
| 404 | L | A | -0.3686 | |
| 405 | Y | A | -0.2931 | |
| 406 | L | A | 0.0000 | |
| 407 | L | A | 0.0000 | |
| 408 | V | A | 0.0000 | |
| 409 | R | A | -1.1046 | |
| 410 | V | A | 0.0000 | |
| 411 | T | A | 0.0000 | |
| 412 | R | A | -1.4058 | |
| 413 | K | A | -1.3905 | |
| 414 | L | A | 0.0000 | |
| 415 | P | A | 0.0000 | |
| 416 | E | A | -2.0965 | |
| 417 | V | A | 0.0000 | |
| 418 | S | A | -1.2569 | |
| 419 | V | A | -1.3104 | |
| 420 | E | A | -2.2772 | |
| 421 | T | A | -1.2229 | |
| 422 | L | A | 0.0000 | |
| 423 | V | A | 0.0000 | |
| 424 | E | A | -1.6997 | |
| 425 | F | A | 0.0000 | |
| 426 | S | A | 0.0000 | |
| 427 | I | A | -0.7036 | |
| 428 | K | A | -0.5015 | |
| 429 | L | A | -0.2136 | |
| 430 | G | A | 0.0000 | |
| 431 | E | A | -0.9493 | |
| 432 | L | A | 0.0000 | |
| 433 | Y | A | -0.9689 | |
| 434 | S | A | -0.3935 | |
| 435 | I | A | 0.5196 | |
| 436 | C | A | 0.0000 | |
| 437 | C | A | -1.0485 | |
| 438 | G | A | -0.7570 | |
| 439 | L | A | -0.9887 | |
| 440 | P | A | -2.0506 | |
| 441 | E | A | -3.5482 | |
| 442 | E | A | -3.8906 | |
| 443 | K | A | -3.3972 | |
| 444 | R | A | -2.3218 | |
| 445 | L | A | 0.0000 | |
| 446 | P | A | -1.2768 | |
| 447 | C | A | -0.4751 | |
| 448 | F | A | 0.0000 | |
| 449 | L | A | 0.0000 | |
| 450 | E | A | -0.2762 | |
| 451 | Y | A | 0.0000 | |
| 452 | A | A | 0.0000 | |
| 453 | Y | A | 0.0000 | |
| 454 | L | A | 0.0000 | |
| 455 | V | A | 0.0000 | |
| 456 | L | A | 0.0000 | |
| 457 | T | A | 0.0000 | |
| 458 | E | A | -0.1528 | |
| 459 | L | A | 0.0000 | |
| 460 | C | A | 0.0000 | |
| 461 | A | A | -0.4541 | |
| 462 | L | A | -0.8959 | |
| 463 | E | A | 0.0000 | |
| 464 | L | A | -1.8344 | |
| 465 | K | A | -2.3729 | |
| 466 | N | A | -2.3809 | |
| 467 | P | A | -2.3151 | |
| 468 | R | A | -2.9803 | |
| 469 | D | A | 0.0000 | |
| 470 | P | A | -1.9190 | |
| 471 | R | A | -2.0904 | |
| 472 | L | A | 0.0000 | |
| 473 | R | A | -3.0904 | |
| 474 | E | A | -3.2396 | |
| 475 | I | A | 0.0000 | |
| 476 | C | A | 0.0000 | |
| 477 | E | A | -2.8950 | |
| 478 | S | A | -1.8712 | |
| 479 | S | A | -0.8479 | |
| 480 | F | A | 0.0000 | |
| 481 | Y | A | 0.0701 | |
| 482 | T | A | 0.0019 | |
| 483 | M | A | 0.0000 | |
| 484 | I | A | 0.3237 | |
| 485 | E | A | 0.0000 | |
| 486 | N | A | -0.5337 | |
| 487 | F | A | 0.0000 | |
| 488 | L | A | 0.4914 | |
| 489 | S | A | -0.3486 | |
| 490 | L | A | -0.8321 | |
| 491 | E | A | -2.2950 | |
| 492 | P | A | -2.1599 | |
| 493 | S | A | -2.3348 | |
| 494 | D | A | -2.9323 | |
| 495 | D | A | -2.6528 | |
| 496 | Y | A | -1.7398 | |
| 497 | T | A | -1.0613 | |
| 498 | P | A | -0.7816 | |
| 499 | K | A | -0.5618 | |
| 500 | P | A | -0.6747 | |
| 501 | F | A | -0.9549 | |
| 502 | D | A | -1.9447 | |
| 503 | E | A | -2.5569 | |
| 504 | S | A | -1.7149 | |
| 505 | K | A | -2.0939 | |
| 506 | F | A | 0.0000 | |
| 507 | T | A | -1.1571 | |
| 508 | F | A | 0.0000 | |
| 509 | T | A | -1.4503 | |
| 510 | P | A | -2.0402 | |
| 511 | K | A | -2.3713 | |
| 512 | I | A | 0.0000 | |
| 513 | F | A | -1.0195 | |
| 514 | E | A | -2.0730 | |
| 515 | L | A | -1.3737 | |
| 516 | S | A | -1.2581 | |
| 517 | P | A | -1.7202 | |
| 518 | E | A | -2.6382 | |
| 519 | E | A | -2.4200 | |
| 520 | Q | A | -2.2283 | |
| 521 | F | A | -1.9238 | |
| 522 | K | A | -2.5177 | |
| 523 | E | A | -2.0957 | |
| 524 | K | A | -1.6776 | |
| 525 | A | A | 0.0000 | |
| 526 | K | A | -1.9449 | |
| 527 | W | A | 0.0000 | |
| 528 | L | A | 0.0000 | |
| 529 | V | A | 0.0000 | |
| 530 | E | A | -0.7608 | |
| 531 | L | A | 0.0000 | |
| 532 | I | A | 0.0000 | |
| 533 | K | A | 0.0000 | |
| 534 | T | A | 0.0000 | |
| 535 | Y | A | -0.5338 | |
| 536 | P | A | -0.8153 | |
| 537 | N | A | -1.5920 | |
| 538 | I | A | 0.0000 | |
| 539 | S | A | -2.5051 | |
| 540 | D | A | -3.7207 | |
| 541 | E | A | -3.9917 | |
| 542 | K | A | -3.2702 | |
| 543 | L | A | 0.0000 | |
| 544 | E | A | -4.0916 | |
| 545 | E | A | -3.7024 | |
| 546 | V | A | 0.0000 | |
| 547 | L | A | -2.3486 | |
| 548 | K | A | -3.3862 | |
| 549 | M | A | -2.6432 | |
| 550 | F | A | 0.0000 | |
| 551 | E | A | -3.9252 | |
| 552 | E | A | -4.0559 | |
| 553 | F | A | 0.0000 | |
| 554 | L | A | -2.5175 | |
| 555 | K | A | -3.6803 | |
| 556 | K | A | -3.3749 | |
| 557 | C | A | 0.0000 | |
| 558 | G | A | -2.0001 | |
| 559 | S | A | -1.6243 | |
| 560 | S | A | -1.9289 | |
| 561 | S | A | -1.5560 | |
| 562 | D | A | -2.7634 | |
| 563 | K | A | -3.1631 | |
| 564 | E | A | -3.5951 | |
| 565 | A | A | -2.6670 | |
| 566 | C | A | -2.5988 | |
| 567 | F | A | 0.0000 | |
| 568 | E | A | -3.3773 | |
| 569 | K | A | -3.1716 | |
| 570 | L | A | -2.1154 | |
| 571 | N | A | 0.0000 | |
| 572 | P | A | -2.5114 | |
| 573 | E | A | -3.1361 | |
| 574 | F | A | 0.0000 | |
| 575 | I | A | -2.4205 | |
| 576 | K | A | -3.5054 | |
| 577 | K | A | -2.9383 | |
| 578 | V | A | 0.0000 | |
| 579 | K | A | -2.3924 | |
| 580 | E | A | -2.7694 | |
| 581 | L | A | -1.6565 | |
| 582 | C | A | 0.0000 | |
| 583 | S | A | -1.0998 |
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 | -1.2016 | 2.0704 | View | CSV | PDB |
| 4.5 | -1.3483 | 1.9081 | View | CSV | PDB |
| 5.0 | -1.5373 | 1.8199 | View | CSV | PDB |
| 5.5 | -1.7338 | 1.7354 | View | CSV | PDB |
| 6.0 | -1.8988 | 1.6657 | View | CSV | PDB |
| 6.5 | -1.9991 | 1.6157 | View | CSV | PDB |
| 7.0 | -2.0249 | 1.5861 | View | CSV | PDB |
| 7.5 | -1.9957 | 1.5736 | View | CSV | PDB |
| 8.0 | -1.9371 | 1.576 | View | CSV | PDB |
| 8.5 | -1.8616 | 1.5943 | View | CSV | PDB |
| 9.0 | -1.772 | 1.6255 | 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