| Chain sequence(s) |
A: MDTLFRLVSLQQQQQSDSIITNQSSLSRTSTTTTGSPQTAYHYNFPQNDVVEECFNFFMDEEDLSSSSSHHNHHNHNNPNTYYSPFTTPTQYHPATSSTPSSTAAAAALASPYSSSGHHNDPSAFSIPQTPPSFDFSANAKWADSVLLEAARAFSDKDTARAQQILWTLNELSSPYGDTEQKLASYFLQALFNRMTGSGERCYRTMVTAAATEKTCSFESTRKTVLKFQEVSPWATFGHVAANGAILEAVDGEAKIHIVDISSTFCTQWPTLLEALATRSDDTPHLRLTTVVVANKFVNDQTASHRMMKEIGNRMEKFARLMGVPFKFNIIHHVGDLSEFDLNELDVKPDEVLAINCVGAMHGIASRGSPRDAVISSFRRLRPRIVTVVEEEADLVGEEEGGFDDEFLRGFGECLRWFRVCFESWEESFPRTSNERLMLERAAGRAIVDLVACEPSDSTERRETARKWSRRMRNSGFGAVGYSDEVADDVRALLRRYKEGVWSMVQCPDAAGIFLCWRDQPVVWASAWRPT
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 partially or entirely disordered. Average 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 (00:06:57)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/830a00b4850820a/tmp/folded.pdb (00:06:57)
[INFO] Main: Simulation completed successfully. (00:09:10)
|
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 | -0.9941 | |
| 2 | D | A | -1.6821 | |
| 3 | T | A | 0.0000 | |
| 4 | L | A | 0.0000 | |
| 5 | F | A | -0.0047 | |
| 6 | R | A | -1.2775 | |
| 7 | L | A | -0.2183 | |
| 8 | V | A | 0.2746 | |
| 9 | S | A | -0.6426 | |
| 10 | L | A | -0.6049 | |
| 11 | Q | A | -1.1876 | |
| 12 | Q | A | -2.2985 | |
| 13 | Q | A | -2.6939 | |
| 14 | Q | A | -2.2128 | |
| 15 | Q | A | -2.0625 | |
| 16 | S | A | -1.3222 | |
| 17 | D | A | -1.8396 | |
| 18 | S | A | -0.6217 | |
| 19 | I | A | 1.3450 | |
| 20 | I | A | 1.3155 | |
| 21 | T | A | -0.1035 | |
| 22 | N | A | -1.0839 | |
| 23 | Q | A | -0.9588 | |
| 24 | S | A | -0.5682 | |
| 25 | S | A | -0.2932 | |
| 26 | L | A | 0.7873 | |
| 27 | S | A | -0.4797 | |
| 28 | R | A | -1.7500 | |
| 29 | T | A | -1.2653 | |
| 30 | S | A | -0.7089 | |
| 31 | T | A | -0.2409 | |
| 32 | T | A | -0.2023 | |
| 33 | T | A | -0.2473 | |
| 34 | T | A | -0.3921 | |
| 35 | G | A | -0.6715 | |
| 36 | S | A | -0.8061 | |
| 37 | P | A | -1.0588 | |
| 38 | Q | A | -1.3854 | |
| 39 | T | A | -0.4760 | |
| 40 | A | A | 0.2871 | |
| 41 | Y | A | 1.0258 | |
| 42 | H | A | 0.1781 | |
| 43 | Y | A | 0.9699 | |
| 44 | N | A | 0.1354 | |
| 45 | F | A | 0.9767 | |
| 46 | P | A | -0.3772 | |
| 47 | Q | A | -1.7189 | |
| 48 | N | A | -2.1511 | |
| 49 | D | A | -1.4091 | |
| 50 | V | A | 0.9129 | |
| 51 | V | A | 0.9234 | |
| 52 | E | A | -1.1680 | |
| 53 | E | A | -1.6236 | |
| 54 | C | A | 0.3606 | |
| 55 | F | A | 1.5888 | |
| 56 | N | A | 1.2424 | |
| 57 | F | A | 2.7571 | |
| 58 | F | A | 2.3983 | |
| 59 | M | A | 0.9363 | |
| 60 | D | A | -2.0997 | |
| 61 | E | A | -3.3301 | |
| 62 | E | A | -3.6544 | |
| 63 | D | A | -2.5552 | |
| 64 | L | A | -0.1850 | |
| 65 | S | A | -0.3441 | |
| 66 | S | A | -0.3202 | |
| 67 | S | A | -0.4875 | |
| 68 | S | A | -0.8590 | |
| 69 | S | A | -1.3096 | |
| 70 | H | A | -2.0843 | |
| 71 | H | A | -2.5254 | |
| 72 | N | A | -2.8550 | |
| 73 | H | A | -2.7112 | |
| 74 | H | A | -2.7738 | |
| 75 | N | A | -2.9118 | |
| 76 | H | A | -2.7711 | |
| 77 | N | A | -2.7235 | |
| 78 | N | A | -2.4725 | |
| 79 | P | A | -1.7777 | |
| 80 | N | A | -1.3735 | |
| 81 | T | A | 0.0694 | |
| 82 | Y | A | 1.6192 | |
| 83 | Y | A | 1.8142 | |
| 84 | S | A | 0.9356 | |
| 85 | P | A | 0.8006 | |
| 86 | F | A | 1.7263 | |
| 87 | T | A | 0.8528 | |
| 88 | T | A | 0.1423 | |
| 89 | P | A | -0.5742 | |
| 90 | T | A | -0.5494 | |
| 91 | Q | A | -0.8530 | |
| 92 | Y | A | 0.1700 | |
| 93 | H | A | -0.6684 | |
| 94 | P | A | -0.4873 | |
| 95 | A | A | -0.3293 | |
| 96 | T | A | -0.2356 | |
| 97 | S | A | -0.3652 | |
| 98 | S | A | -0.4298 | |
| 99 | T | A | -0.4330 | |
| 100 | P | A | -0.4950 | |
| 101 | S | A | -0.4732 | |
| 102 | S | A | -0.3931 | |
| 103 | T | A | -0.2036 | |
| 104 | A | A | -0.0025 | |
| 105 | A | A | 0.0988 | |
| 106 | A | A | 0.3541 | |
| 107 | A | A | 0.5936 | |
| 108 | A | A | 0.8582 | |
| 109 | L | A | 1.5330 | |
| 110 | A | A | 0.8547 | |
| 111 | S | A | 0.5374 | |
| 112 | P | A | 0.3820 | |
| 113 | Y | A | 0.9309 | |
| 114 | S | A | 0.0710 | |
| 115 | S | A | -0.3542 | |
| 116 | S | A | -0.8493 | |
| 117 | G | A | -1.6110 | |
| 118 | H | A | -2.4561 | |
| 119 | H | A | -2.7920 | |
| 120 | N | A | -2.7622 | |
| 121 | D | A | -2.5861 | |
| 122 | P | A | -1.0683 | |
| 123 | S | A | -0.2398 | |
| 124 | A | A | 0.3314 | |
| 125 | F | A | 1.7539 | |
| 126 | S | A | 1.2197 | |
| 127 | I | A | 1.9918 | |
| 128 | P | A | 0.4212 | |
| 129 | Q | A | -0.8390 | |
| 130 | T | A | -0.5528 | |
| 131 | P | A | -0.3468 | |
| 132 | P | A | -0.8509 | |
| 133 | S | A | -0.6267 | |
| 134 | F | A | -0.7900 | |
| 135 | D | A | -1.5217 | |
| 136 | F | A | -0.3959 | |
| 137 | S | A | -0.6803 | |
| 138 | A | A | -0.9006 | |
| 139 | N | A | -1.5219 | |
| 140 | A | A | -1.0059 | |
| 141 | K | A | -1.4249 | |
| 142 | W | A | -0.9309 | |
| 143 | A | A | 0.0000 | |
| 144 | D | A | -0.9318 | |
| 145 | S | A | -0.7129 | |
| 146 | V | A | 0.0000 | |
| 147 | L | A | 0.0000 | |
| 148 | L | A | -0.4289 | |
| 149 | E | A | -1.5698 | |
| 150 | A | A | 0.0000 | |
| 151 | A | A | 0.0000 | |
| 152 | R | A | -3.1887 | |
| 153 | A | A | 0.0000 | |
| 154 | F | A | -2.1807 | |
| 155 | S | A | -2.4697 | |
| 156 | D | A | -3.5340 | |
| 157 | K | A | -3.2347 | |
| 158 | D | A | -2.8013 | |
| 159 | T | A | -1.8217 | |
| 160 | A | A | -1.4670 | |
| 161 | R | A | -2.6511 | |
| 162 | A | A | 0.0000 | |
| 163 | Q | A | -1.6163 | |
| 164 | Q | A | -1.2808 | |
| 165 | I | A | 0.0000 | |
| 166 | L | A | 0.0000 | |
| 167 | W | A | -0.9241 | |
| 168 | T | A | 0.0000 | |
| 169 | L | A | 0.0000 | |
| 170 | N | A | -2.0152 | |
| 171 | E | A | -2.1403 | |
| 172 | L | A | -0.8367 | |
| 173 | S | A | -0.9228 | |
| 174 | S | A | -0.4364 | |
| 175 | P | A | -0.0201 | |
| 176 | Y | A | 0.8263 | |
| 177 | G | A | -0.3891 | |
| 178 | D | A | -1.8253 | |
| 179 | T | A | -1.0616 | |
| 180 | E | A | 0.0000 | |
| 181 | Q | A | -1.0159 | |
| 182 | K | A | 0.0000 | |
| 183 | L | A | 0.0000 | |
| 184 | A | A | 0.0000 | |
| 185 | S | A | -0.5103 | |
| 186 | Y | A | -0.4267 | |
| 187 | F | A | 0.0000 | |
| 188 | L | A | 0.0000 | |
| 189 | Q | A | -0.6872 | |
| 190 | A | A | 0.0000 | |
| 191 | L | A | 0.0000 | |
| 192 | F | A | 0.3797 | |
| 193 | N | A | 0.0000 | |
| 194 | R | A | -0.9230 | |
| 195 | M | A | 0.1562 | |
| 196 | T | A | -0.1237 | |
| 197 | G | A | -0.9748 | |
| 198 | S | A | -1.1701 | |
| 199 | G | A | 0.0000 | |
| 200 | E | A | -2.8820 | |
| 201 | R | A | -2.8502 | |
| 202 | C | A | -1.7152 | |
| 203 | Y | A | 0.0000 | |
| 204 | R | A | -2.3082 | |
| 205 | T | A | -1.2045 | |
| 206 | M | A | -0.8484 | |
| 207 | V | A | 0.0000 | |
| 208 | T | A | -0.7003 | |
| 209 | A | A | -0.4645 | |
| 210 | A | A | -0.7247 | |
| 211 | A | A | -1.0411 | |
| 212 | T | A | -1.6233 | |
| 213 | E | A | -2.7372 | |
| 214 | K | A | -2.5142 | |
| 215 | T | A | -1.3748 | |
| 216 | C | A | -1.0857 | |
| 217 | S | A | -1.6818 | |
| 218 | F | A | -1.2899 | |
| 219 | E | A | -1.4214 | |
| 220 | S | A | -1.5009 | |
| 221 | T | A | -0.7730 | |
| 222 | R | A | -1.2818 | |
| 223 | K | A | -2.2578 | |
| 224 | T | A | -1.2891 | |
| 225 | V | A | -0.4706 | |
| 226 | L | A | -0.4875 | |
| 227 | K | A | -1.0814 | |
| 228 | F | A | -0.4125 | |
| 229 | Q | A | 0.0000 | |
| 230 | E | A | -0.9554 | |
| 231 | V | A | -0.6918 | |
| 232 | S | A | 0.0000 | |
| 233 | P | A | 0.0000 | |
| 234 | W | A | 0.0000 | |
| 235 | A | A | 0.0140 | |
| 236 | T | A | 0.0000 | |
| 237 | F | A | 0.0000 | |
| 238 | G | A | 0.0000 | |
| 239 | H | A | 0.0000 | |
| 240 | V | A | -0.2976 | |
| 241 | A | A | 0.0000 | |
| 242 | A | A | 0.0000 | |
| 243 | N | A | 0.0000 | |
| 244 | G | A | -0.8268 | |
| 245 | A | A | 0.0000 | |
| 246 | I | A | 0.0000 | |
| 247 | L | A | -1.1139 | |
| 248 | E | A | -1.9855 | |
| 249 | A | A | -1.5768 | |
| 250 | V | A | 0.0000 | |
| 251 | D | A | -2.6587 | |
| 252 | G | A | -1.9653 | |
| 253 | E | A | -1.7426 | |
| 254 | A | A | -1.6186 | |
| 255 | K | A | -1.6965 | |
| 256 | I | A | 0.0000 | |
| 257 | H | A | 0.0000 | |
| 258 | I | A | 0.0000 | |
| 259 | V | A | 0.0000 | |
| 260 | D | A | 0.0000 | |
| 261 | I | A | 0.0000 | |
| 262 | S | A | 0.1155 | |
| 263 | S | A | 0.1019 | |
| 264 | T | A | 0.1670 | |
| 265 | F | A | 0.5671 | |
| 266 | C | A | 0.0000 | |
| 267 | T | A | 0.1583 | |
| 268 | Q | A | 0.0000 | |
| 269 | W | A | 0.0000 | |
| 270 | P | A | 0.0000 | |
| 271 | T | A | -0.3609 | |
| 272 | L | A | 0.0000 | |
| 273 | L | A | 0.0000 | |
| 274 | E | A | -0.5633 | |
| 275 | A | A | -0.5498 | |
| 276 | L | A | 0.0000 | |
| 277 | A | A | -1.1785 | |
| 278 | T | A | -1.3106 | |
| 279 | R | A | -2.0671 | |
| 280 | S | A | -2.4520 | |
| 281 | D | A | -2.9719 | |
| 282 | D | A | -3.0213 | |
| 283 | T | A | -1.9899 | |
| 284 | P | A | -1.7325 | |
| 285 | H | A | -1.6319 | |
| 286 | L | A | 0.0000 | |
| 287 | R | A | 0.0000 | |
| 288 | L | A | 0.0000 | |
| 289 | T | A | 0.0000 | |
| 290 | T | A | 0.0000 | |
| 291 | V | A | 0.0000 | |
| 292 | V | A | 0.7420 | |
| 293 | V | A | 0.9431 | |
| 294 | A | A | 0.0454 | |
| 295 | N | A | -0.6228 | |
| 296 | K | A | -1.2576 | |
| 297 | F | A | -1.0935 | |
| 298 | V | A | -1.3716 | |
| 299 | N | A | -2.1164 | |
| 300 | D | A | -2.6998 | |
| 301 | Q | A | -1.7311 | |
| 302 | T | A | -1.8354 | |
| 303 | A | A | -1.9843 | |
| 304 | S | A | -1.7805 | |
| 305 | H | A | -2.3898 | |
| 306 | R | A | -2.9397 | |
| 307 | M | A | 0.0000 | |
| 308 | M | A | 0.0000 | |
| 309 | K | A | -3.0643 | |
| 310 | E | A | -2.9224 | |
| 311 | I | A | 0.0000 | |
| 312 | G | A | 0.0000 | |
| 313 | N | A | -3.1680 | |
| 314 | R | A | -3.0896 | |
| 315 | M | A | 0.0000 | |
| 316 | E | A | -2.9552 | |
| 317 | K | A | -3.0161 | |
| 318 | F | A | 0.0000 | |
| 319 | A | A | 0.0000 | |
| 320 | R | A | -2.0732 | |
| 321 | L | A | -0.0273 | |
| 322 | M | A | -0.3539 | |
| 323 | G | A | -0.7818 | |
| 324 | V | A | 0.0000 | |
| 325 | P | A | -1.3108 | |
| 326 | F | A | -1.6682 | |
| 327 | K | A | -1.8758 | |
| 328 | F | A | -1.1157 | |
| 329 | N | A | -0.4678 | |
| 330 | I | A | 0.0908 | |
| 331 | I | A | -0.0584 | |
| 332 | H | A | 0.3439 | |
| 333 | H | A | 0.3520 | |
| 334 | V | A | 1.0330 | |
| 335 | G | A | -0.1000 | |
| 336 | D | A | -0.8931 | |
| 337 | L | A | 0.0000 | |
| 338 | S | A | -1.4257 | |
| 339 | E | A | -2.1006 | |
| 340 | F | A | -1.7413 | |
| 341 | D | A | -3.0011 | |
| 342 | L | A | -2.4349 | |
| 343 | N | A | -2.9644 | |
| 344 | E | A | -3.2817 | |
| 345 | L | A | 0.0000 | |
| 346 | D | A | -2.6985 | |
| 347 | V | A | -1.7227 | |
| 348 | K | A | -1.9770 | |
| 349 | P | A | -1.9024 | |
| 350 | D | A | -2.4228 | |
| 351 | E | A | -1.7431 | |
| 352 | V | A | 0.0000 | |
| 353 | L | A | 0.0000 | |
| 354 | A | A | 0.0000 | |
| 355 | I | A | 0.0000 | |
| 356 | N | A | 0.0000 | |
| 357 | C | A | 0.0000 | |
| 358 | V | A | 0.0000 | |
| 359 | G | A | -0.3308 | |
| 360 | A | A | -0.0632 | |
| 361 | M | A | 0.0000 | |
| 362 | H | A | -0.3662 | |
| 363 | G | A | -0.4958 | |
| 364 | I | A | 0.0000 | |
| 365 | A | A | -1.2006 | |
| 366 | S | A | 0.0000 | |
| 367 | R | A | -2.7111 | |
| 368 | G | A | -1.5815 | |
| 369 | S | A | -1.1092 | |
| 370 | P | A | -1.1802 | |
| 371 | R | A | 0.0000 | |
| 372 | D | A | -1.1814 | |
| 373 | A | A | -0.7913 | |
| 374 | V | A | 0.0000 | |
| 375 | I | A | 0.0000 | |
| 376 | S | A | -1.1198 | |
| 377 | S | A | -1.3118 | |
| 378 | F | A | 0.0000 | |
| 379 | R | A | -2.4516 | |
| 380 | R | A | -2.6419 | |
| 381 | L | A | -1.9599 | |
| 382 | R | A | -3.0155 | |
| 383 | P | A | 0.0000 | |
| 384 | R | A | -2.0469 | |
| 385 | I | A | 0.0000 | |
| 386 | V | A | 0.0000 | |
| 387 | T | A | 0.0000 | |
| 388 | V | A | 0.0000 | |
| 389 | V | A | 0.0000 | |
| 390 | E | A | 0.0000 | |
| 391 | E | A | -0.5106 | |
| 392 | E | A | -0.6525 | |
| 393 | A | A | 0.0000 | |
| 394 | D | A | -0.7541 | |
| 395 | L | A | 0.0000 | |
| 396 | V | A | -1.1299 | |
| 397 | G | A | -2.1545 | |
| 398 | E | A | -3.4295 | |
| 399 | E | A | -3.6470 | |
| 400 | E | A | -3.2600 | |
| 401 | G | A | -2.5752 | |
| 402 | G | A | -1.4040 | |
| 403 | F | A | 0.1720 | |
| 404 | D | A | -1.5107 | |
| 405 | D | A | -2.2512 | |
| 406 | E | A | -1.9237 | |
| 407 | F | A | -0.7684 | |
| 408 | L | A | -1.0853 | |
| 409 | R | A | -1.2520 | |
| 410 | G | A | -0.9179 | |
| 411 | F | A | 0.0000 | |
| 412 | G | A | -0.4529 | |
| 413 | E | A | -0.6735 | |
| 414 | C | A | 0.0000 | |
| 415 | L | A | 0.0000 | |
| 416 | R | A | -0.8642 | |
| 417 | W | A | 0.0000 | |
| 418 | F | A | 0.0000 | |
| 419 | R | A | 0.0000 | |
| 420 | V | A | 0.0000 | |
| 421 | C | A | 0.0000 | |
| 422 | F | A | 0.0000 | |
| 423 | E | A | -0.7056 | |
| 424 | S | A | 0.0000 | |
| 425 | W | A | 0.0000 | |
| 426 | E | A | -1.3131 | |
| 427 | E | A | -1.1642 | |
| 428 | S | A | -0.8742 | |
| 429 | F | A | 0.0000 | |
| 430 | P | A | -1.4091 | |
| 431 | R | A | -2.4090 | |
| 432 | T | A | -1.1675 | |
| 433 | S | A | 0.0000 | |
| 434 | N | A | -1.5875 | |
| 435 | E | A | -1.1069 | |
| 436 | R | A | 0.0000 | |
| 437 | L | A | -0.5373 | |
| 438 | M | A | -0.4484 | |
| 439 | L | A | -0.2627 | |
| 440 | E | A | 0.0000 | |
| 441 | R | A | -1.6226 | |
| 442 | A | A | -0.7324 | |
| 443 | A | A | 0.0000 | |
| 444 | G | A | 0.0000 | |
| 445 | R | A | -0.9777 | |
| 446 | A | A | 0.0000 | |
| 447 | I | A | 0.0000 | |
| 448 | V | A | 0.0000 | |
| 449 | D | A | 0.0000 | |
| 450 | L | A | -0.3365 | |
| 451 | V | A | 0.0000 | |
| 452 | A | A | -0.7775 | |
| 453 | C | A | -1.5830 | |
| 454 | E | A | -1.8654 | |
| 455 | P | A | -1.4271 | |
| 456 | S | A | -1.6975 | |
| 457 | D | A | -2.2946 | |
| 458 | S | A | 0.0000 | |
| 459 | T | A | -0.8539 | |
| 460 | E | A | -0.6359 | |
| 461 | R | A | -0.8125 | |
| 462 | R | A | 0.0000 | |
| 463 | E | A | 0.0000 | |
| 464 | T | A | -0.8577 | |
| 465 | A | A | 0.0000 | |
| 466 | R | A | -2.7826 | |
| 467 | K | A | -1.8410 | |
| 468 | W | A | 0.0000 | |
| 469 | S | A | 0.0000 | |
| 470 | R | A | -3.4792 | |
| 471 | R | A | -2.7043 | |
| 472 | M | A | 0.0000 | |
| 473 | R | A | -3.4351 | |
| 474 | N | A | -2.9466 | |
| 475 | S | A | -2.1491 | |
| 476 | G | A | -1.8177 | |
| 477 | F | A | 0.0000 | |
| 478 | G | A | -1.2683 | |
| 479 | A | A | -0.5812 | |
| 480 | V | A | -0.0506 | |
| 481 | G | A | -0.4614 | |
| 482 | Y | A | -0.9326 | |
| 483 | S | A | -2.1058 | |
| 484 | D | A | -3.4481 | |
| 485 | E | A | -4.0890 | |
| 486 | V | A | 0.0000 | |
| 487 | A | A | -3.1074 | |
| 488 | D | A | -4.4060 | |
| 489 | D | A | -4.0348 | |
| 490 | V | A | 0.0000 | |
| 491 | R | A | -3.7258 | |
| 492 | A | A | -2.8969 | |
| 493 | L | A | 0.0000 | |
| 494 | L | A | -2.8864 | |
| 495 | R | A | -3.9709 | |
| 496 | R | A | -3.4949 | |
| 497 | Y | A | 0.0000 | |
| 498 | K | A | -2.9938 | |
| 499 | E | A | -3.3415 | |
| 500 | G | A | -2.3584 | |
| 501 | V | A | 0.0000 | |
| 502 | W | A | 0.0000 | |
| 503 | S | A | -1.4173 | |
| 504 | M | A | -0.4402 | |
| 505 | V | A | -0.2150 | |
| 506 | Q | A | -1.1986 | |
| 507 | C | A | 0.0000 | |
| 508 | P | A | -1.5348 | |
| 509 | D | A | -2.4404 | |
| 510 | A | A | -2.0056 | |
| 511 | A | A | -1.0780 | |
| 512 | G | A | -0.6208 | |
| 513 | I | A | 0.0000 | |
| 514 | F | A | 0.0000 | |
| 515 | L | A | 0.0000 | |
| 516 | C | A | 0.0000 | |
| 517 | W | A | 0.0000 | |
| 518 | R | A | -2.8437 | |
| 519 | D | A | -2.7934 | |
| 520 | Q | A | -1.8407 | |
| 521 | P | A | -0.9245 | |
| 522 | V | A | 0.0000 | |
| 523 | V | A | 0.0000 | |
| 524 | W | A | 0.0000 | |
| 525 | A | A | 0.0000 | |
| 526 | S | A | 0.0000 | |
| 527 | A | A | 0.0000 | |
| 528 | W | A | 0.0000 | |
| 529 | R | A | -2.5642 | |
| 530 | P | A | -2.2135 | |
| 531 | T | A | -1.1241 |
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 | -0.6609 | 7.173 | View | CSV | PDB |
| 4.5 | -0.7414 | 7.1324 | View | CSV | PDB |
| 5.0 | -0.8362 | 7.0871 | View | CSV | PDB |
| 5.5 | -0.9315 | 7.04 | View | CSV | PDB |
| 6.0 | -1.015 | 6.9924 | View | CSV | PDB |
| 6.5 | -1.0795 | 6.9447 | View | CSV | PDB |
| 7.0 | -1.1266 | 6.8972 | View | CSV | PDB |
| 7.5 | -1.1624 | 6.8505 | View | CSV | PDB |
| 8.0 | -1.19 | 6.8063 | View | CSV | PDB |
| 8.5 | -1.2073 | 6.7682 | View | CSV | PDB |
| 9.0 | -1.211 | 6.7416 | 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