| Chain sequence(s) |
A: AKFVAAWTLKAAAEAAAKLTAREIAPKAAYHMREVEADFAAYVYYADVEGFAAYDVIGFPALAAAYLLVGTTLEVAAYVEGTVQFAWAAYVVYEHFGGKAAYRVRVERVALAAAYRLKDEIVAAAAYSPGCVRFVTLAAYAFLYGIAAHKAAYYPAETLPERWAAYAVLWRYALRAAYVLWRYALRLAAYEARRVVAARAAYSAEVEALEALAAYTSIEEIAQRAAYAQVETAIAVGSGATNFSLLKQAGDVEENPGPGIGNQANYAASKAGVIGGPGPGVYRLAYRLSGNQHDAEDLGPGPGRRHHRQLHRLARLTSRTSGPGPGEDLKLLGVHIFGTGPGPGGIGLAIAQRLAADGHKVGPGPGAVVAEAVAGDRNALREVGPGPGVVENLNADADVAGTQTGPGPGRRSARFRNVVGSTDQSGTGPGPGGNRHRLVLDDVLAYREARGSGATNFSLLKQAGDVEENPGPMDAMKRGLCCVLLLCGAVFVSPSGGSGGRVERVALALLTYVEERTDGFRIMIRDSPASISSGTYSSLLNDAVSQVSSILAGDFARRGLDPDLAPLYAQALVGSVSMTAQWWLDAREPKKEVVAAHLVNLVWNGSGHHHHHH
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) (00:00:01)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with A chain(s) selected (00:00:01)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:01)
[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 (00:08:23)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/e4d7f8f450d7d29/tmp/folded.pdb (00:08:23)
[INFO] Main: Simulation completed successfully. (00:11:06)
|
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 | A | A | 0.4706 | |
| 2 | K | A | 0.0294 | |
| 3 | F | A | 2.0830 | |
| 4 | V | A | 1.9624 | |
| 5 | A | A | 1.1479 | |
| 6 | A | A | 0.9006 | |
| 7 | W | A | 1.4078 | |
| 8 | T | A | 0.5677 | |
| 9 | L | A | 0.1842 | |
| 10 | K | A | -1.4780 | |
| 11 | A | A | -0.9672 | |
| 12 | A | A | -0.7779 | |
| 13 | A | A | -1.2844 | |
| 14 | E | A | -2.4203 | |
| 15 | A | A | -1.2360 | |
| 16 | A | A | -0.8719 | |
| 17 | A | A | -1.2632 | |
| 18 | K | A | -2.1747 | |
| 19 | L | A | -0.6608 | |
| 20 | T | A | -0.3629 | |
| 21 | A | A | -1.1642 | |
| 22 | R | A | -2.6467 | |
| 23 | E | A | -2.3371 | |
| 24 | I | A | -0.5067 | |
| 25 | A | A | -0.6133 | |
| 26 | P | A | -1.0616 | |
| 27 | K | A | -1.4786 | |
| 28 | A | A | -0.6411 | |
| 29 | A | A | -0.1813 | |
| 30 | Y | A | -0.0857 | |
| 31 | H | A | -0.9419 | |
| 32 | M | A | -1.0708 | |
| 33 | R | A | -2.2503 | |
| 34 | E | A | -1.9594 | |
| 35 | V | A | 0.0000 | |
| 36 | E | A | -2.3423 | |
| 37 | A | A | -1.3471 | |
| 38 | D | A | -1.0043 | |
| 39 | F | A | 0.2225 | |
| 40 | A | A | 0.5934 | |
| 41 | A | A | 0.8886 | |
| 42 | Y | A | 1.0119 | |
| 43 | V | A | 2.1016 | |
| 44 | Y | A | 1.9183 | |
| 45 | Y | A | 1.2355 | |
| 46 | A | A | 0.5853 | |
| 47 | D | A | -0.1725 | |
| 48 | V | A | 1.0394 | |
| 49 | E | A | -0.3952 | |
| 50 | G | A | -0.4416 | |
| 51 | F | A | 0.6421 | |
| 52 | A | A | 0.6435 | |
| 53 | A | A | 1.1531 | |
| 54 | Y | A | 1.7561 | |
| 55 | D | A | 0.4013 | |
| 56 | V | A | 2.0734 | |
| 57 | I | A | 2.6030 | |
| 58 | G | A | 1.2337 | |
| 59 | F | A | 1.5223 | |
| 60 | P | A | 1.0058 | |
| 61 | A | A | 1.2121 | |
| 62 | L | A | 1.7322 | |
| 63 | A | A | 1.3526 | |
| 64 | A | A | 1.4835 | |
| 65 | A | A | 1.7158 | |
| 66 | Y | A | 2.0048 | |
| 67 | L | A | 2.7118 | |
| 68 | L | A | 2.5394 | |
| 69 | V | A | 1.6998 | |
| 70 | G | A | 1.1403 | |
| 71 | T | A | 0.8374 | |
| 72 | T | A | 0.9594 | |
| 73 | L | A | 0.6927 | |
| 74 | E | A | -0.1987 | |
| 75 | V | A | 1.1965 | |
| 76 | A | A | 0.9373 | |
| 77 | A | A | 0.8014 | |
| 78 | Y | A | 1.4813 | |
| 79 | V | A | 1.5274 | |
| 80 | E | A | 0.5400 | |
| 81 | G | A | 0.4384 | |
| 82 | T | A | 0.5855 | |
| 83 | V | A | 0.5170 | |
| 84 | Q | A | -0.2053 | |
| 85 | F | A | 0.8708 | |
| 86 | A | A | 0.7753 | |
| 87 | W | A | 1.0475 | |
| 88 | A | A | 1.1652 | |
| 89 | A | A | 1.2219 | |
| 90 | Y | A | 1.3773 | |
| 91 | V | A | 1.2202 | |
| 92 | V | A | 1.2625 | |
| 93 | Y | A | 1.1941 | |
| 94 | E | A | -0.5476 | |
| 95 | H | A | -0.1535 | |
| 96 | F | A | 1.1027 | |
| 97 | G | A | -0.6129 | |
| 98 | G | A | -1.0744 | |
| 99 | K | A | -1.7794 | |
| 100 | A | A | -1.0754 | |
| 101 | A | A | -0.3384 | |
| 102 | Y | A | -0.4198 | |
| 103 | R | A | -2.0658 | |
| 104 | V | A | -1.1712 | |
| 105 | R | A | -1.5141 | |
| 106 | V | A | -0.0821 | |
| 107 | E | A | -1.6916 | |
| 108 | R | A | -1.6405 | |
| 109 | V | A | 0.9926 | |
| 110 | A | A | 0.6319 | |
| 111 | L | A | 0.6625 | |
| 112 | A | A | 0.6918 | |
| 113 | A | A | 0.5021 | |
| 114 | A | A | 0.6075 | |
| 115 | Y | A | 0.3324 | |
| 116 | R | A | -1.5589 | |
| 117 | L | A | -0.1267 | |
| 118 | K | A | -0.8285 | |
| 119 | D | A | -2.1481 | |
| 120 | E | A | -1.9416 | |
| 121 | I | A | -0.2092 | |
| 122 | V | A | 0.5375 | |
| 123 | A | A | -0.0701 | |
| 124 | A | A | 0.3267 | |
| 125 | A | A | 0.0000 | |
| 126 | A | A | 1.0707 | |
| 127 | Y | A | 1.4425 | |
| 128 | S | A | 0.6839 | |
| 129 | P | A | 0.4462 | |
| 130 | G | A | 0.9574 | |
| 131 | C | A | 1.8795 | |
| 132 | V | A | 2.2075 | |
| 133 | R | A | 2.1385 | |
| 134 | F | A | 3.2912 | |
| 135 | V | A | 3.0813 | |
| 136 | T | A | 0.0000 | |
| 137 | L | A | 2.0731 | |
| 138 | A | A | 2.0139 | |
| 139 | A | A | 1.7886 | |
| 140 | Y | A | 0.0000 | |
| 141 | A | A | 1.5965 | |
| 142 | F | A | 2.4291 | |
| 143 | L | A | 1.7206 | |
| 144 | Y | A | 1.2771 | |
| 145 | G | A | 0.7058 | |
| 146 | I | A | 0.6586 | |
| 147 | A | A | 0.3411 | |
| 148 | A | A | 0.1847 | |
| 149 | H | A | -0.5674 | |
| 150 | K | A | -0.7971 | |
| 151 | A | A | -0.0567 | |
| 152 | A | A | 0.3807 | |
| 153 | Y | A | 1.1940 | |
| 154 | Y | A | 0.9702 | |
| 155 | P | A | -0.1993 | |
| 156 | A | A | -0.5767 | |
| 157 | E | A | -1.7328 | |
| 158 | T | A | -0.6356 | |
| 159 | L | A | 0.5677 | |
| 160 | P | A | 0.1839 | |
| 161 | E | A | -0.5648 | |
| 162 | R | A | -0.2266 | |
| 163 | W | A | 1.4254 | |
| 164 | A | A | 0.8216 | |
| 165 | A | A | 0.7118 | |
| 166 | Y | A | 1.8774 | |
| 167 | A | A | 1.4786 | |
| 168 | V | A | 1.4524 | |
| 169 | L | A | 1.5864 | |
| 170 | W | A | 1.5577 | |
| 171 | R | A | 0.5869 | |
| 172 | Y | A | 0.7317 | |
| 173 | A | A | 0.4819 | |
| 174 | L | A | 0.0000 | |
| 175 | R | A | 0.1531 | |
| 176 | A | A | 0.5020 | |
| 177 | A | A | 0.7042 | |
| 178 | Y | A | 0.8087 | |
| 179 | V | A | 0.0000 | |
| 180 | L | A | 1.8210 | |
| 181 | W | A | 1.1179 | |
| 182 | R | A | 0.3196 | |
| 183 | Y | A | 0.8728 | |
| 184 | A | A | 0.8143 | |
| 185 | L | A | 0.5698 | |
| 186 | R | A | -0.2611 | |
| 187 | L | A | 0.4283 | |
| 188 | A | A | -0.3036 | |
| 189 | A | A | 0.0000 | |
| 190 | Y | A | -0.6102 | |
| 191 | E | A | -1.8860 | |
| 192 | A | A | -1.0429 | |
| 193 | R | A | -1.4856 | |
| 194 | R | A | -2.1934 | |
| 195 | V | A | -0.4949 | |
| 196 | V | A | -0.3375 | |
| 197 | A | A | -0.6930 | |
| 198 | A | A | -0.4563 | |
| 199 | R | A | -1.2569 | |
| 200 | A | A | -0.4622 | |
| 201 | A | A | -0.1576 | |
| 202 | Y | A | -0.2816 | |
| 203 | S | A | -0.7605 | |
| 204 | A | A | -1.1931 | |
| 205 | E | A | -1.7478 | |
| 206 | V | A | -0.7317 | |
| 207 | E | A | -1.9960 | |
| 208 | A | A | -0.8162 | |
| 209 | L | A | 0.1234 | |
| 210 | E | A | -1.4785 | |
| 211 | A | A | -0.5096 | |
| 212 | L | A | 0.4475 | |
| 213 | A | A | 0.1349 | |
| 214 | A | A | 0.2731 | |
| 215 | Y | A | 0.2211 | |
| 216 | T | A | 0.1467 | |
| 217 | S | A | -0.0104 | |
| 218 | I | A | 0.7486 | |
| 219 | E | A | -1.6962 | |
| 220 | E | A | -1.9220 | |
| 221 | I | A | -0.2192 | |
| 222 | A | A | -0.6260 | |
| 223 | Q | A | -1.1913 | |
| 224 | R | A | -1.0818 | |
| 225 | A | A | -0.7248 | |
| 226 | A | A | -0.2856 | |
| 227 | Y | A | 0.1922 | |
| 228 | A | A | -0.5865 | |
| 229 | Q | A | -1.1652 | |
| 230 | V | A | -0.2207 | |
| 231 | E | A | -0.8071 | |
| 232 | T | A | -0.0224 | |
| 233 | A | A | 0.4554 | |
| 234 | I | A | 1.5807 | |
| 235 | A | A | 1.1067 | |
| 236 | V | A | 1.7980 | |
| 237 | G | A | 0.7996 | |
| 238 | S | A | 0.3214 | |
| 239 | G | A | -0.2837 | |
| 240 | A | A | -0.1763 | |
| 241 | T | A | 0.1436 | |
| 242 | N | A | -0.5874 | |
| 243 | F | A | 0.9790 | |
| 244 | S | A | -0.1781 | |
| 245 | L | A | -0.1529 | |
| 246 | L | A | -0.1539 | |
| 247 | K | A | -1.9165 | |
| 248 | Q | A | -1.6202 | |
| 249 | A | A | -1.1656 | |
| 250 | G | A | -1.7708 | |
| 251 | D | A | -2.1016 | |
| 252 | V | A | -1.8548 | |
| 253 | E | A | -3.2729 | |
| 254 | E | A | -3.5239 | |
| 255 | N | A | -2.8271 | |
| 256 | P | A | -1.5259 | |
| 257 | G | A | -0.9891 | |
| 258 | P | A | -0.5557 | |
| 259 | G | A | -0.4241 | |
| 260 | I | A | 0.6255 | |
| 261 | G | A | -0.5909 | |
| 262 | N | A | -1.4335 | |
| 263 | Q | A | -0.7787 | |
| 264 | A | A | -0.6265 | |
| 265 | N | A | -1.4044 | |
| 266 | Y | A | -0.4433 | |
| 267 | A | A | -0.7510 | |
| 268 | A | A | -0.0839 | |
| 269 | S | A | -0.3617 | |
| 270 | K | A | -1.4404 | |
| 271 | A | A | -0.0298 | |
| 272 | G | A | 0.3530 | |
| 273 | V | A | 2.0080 | |
| 274 | I | A | 2.3558 | |
| 275 | G | A | 0.6148 | |
| 276 | G | A | -0.1701 | |
| 277 | P | A | -0.6576 | |
| 278 | G | A | -0.6788 | |
| 279 | P | A | -0.6209 | |
| 280 | G | A | 0.1902 | |
| 281 | V | A | 1.8070 | |
| 282 | Y | A | 1.0478 | |
| 283 | R | A | -0.2196 | |
| 284 | L | A | 1.4453 | |
| 285 | A | A | 1.3059 | |
| 286 | Y | A | 0.9363 | |
| 287 | R | A | -0.6453 | |
| 288 | L | A | 0.8031 | |
| 289 | S | A | -0.1063 | |
| 290 | G | A | -1.4164 | |
| 291 | N | A | -2.6278 | |
| 292 | Q | A | -2.8745 | |
| 293 | H | A | -3.0834 | |
| 294 | D | A | -3.4106 | |
| 295 | A | A | -2.5027 | |
| 296 | E | A | -2.9765 | |
| 297 | D | A | -2.3348 | |
| 298 | L | A | -0.2534 | |
| 299 | G | A | -0.5523 | |
| 300 | P | A | -0.6494 | |
| 301 | G | A | -0.8623 | |
| 302 | P | A | -1.6544 | |
| 303 | G | A | -2.6888 | |
| 304 | R | A | -4.1664 | |
| 305 | R | A | -4.2909 | |
| 306 | H | A | -3.7426 | |
| 307 | H | A | -3.9511 | |
| 308 | R | A | -4.3650 | |
| 309 | Q | A | -3.1114 | |
| 310 | L | A | -1.6541 | |
| 311 | H | A | -2.5556 | |
| 312 | R | A | -2.6484 | |
| 313 | L | A | -0.3778 | |
| 314 | A | A | -0.9645 | |
| 315 | R | A | -2.1190 | |
| 316 | L | A | -0.5481 | |
| 317 | T | A | -0.7428 | |
| 318 | S | A | -1.3055 | |
| 319 | R | A | -2.1984 | |
| 320 | T | A | -1.1419 | |
| 321 | S | A | -1.1175 | |
| 322 | G | A | -1.0384 | |
| 323 | P | A | -0.8618 | |
| 324 | G | A | -1.2005 | |
| 325 | P | A | -1.1533 | |
| 326 | G | A | -1.8605 | |
| 327 | E | A | -2.8383 | |
| 328 | D | A | -2.3051 | |
| 329 | L | A | -0.0446 | |
| 330 | K | A | -0.5687 | |
| 331 | L | A | 1.8084 | |
| 332 | L | A | 2.1370 | |
| 333 | G | A | 1.2835 | |
| 334 | V | A | 2.4349 | |
| 335 | H | A | 1.3776 | |
| 336 | I | A | 2.7617 | |
| 337 | F | A | 2.5578 | |
| 338 | G | A | 0.6914 | |
| 339 | T | A | 0.0738 | |
| 340 | G | A | -0.6721 | |
| 341 | P | A | -0.8863 | |
| 342 | G | A | -0.8380 | |
| 343 | P | A | -0.4568 | |
| 344 | G | A | 0.1706 | |
| 345 | G | A | 0.6670 | |
| 346 | I | A | 2.2233 | |
| 347 | G | A | 1.5043 | |
| 348 | L | A | 2.1915 | |
| 349 | A | A | 1.1938 | |
| 350 | I | A | 1.6704 | |
| 351 | A | A | 0.9554 | |
| 352 | Q | A | -0.9771 | |
| 353 | R | A | -1.4327 | |
| 354 | L | A | -0.8333 | |
| 355 | A | A | -1.2085 | |
| 356 | A | A | -1.4925 | |
| 357 | D | A | -2.7086 | |
| 358 | G | A | -1.9438 | |
| 359 | H | A | -2.0524 | |
| 360 | K | A | -1.6672 | |
| 361 | V | A | 0.6261 | |
| 362 | G | A | -0.2173 | |
| 363 | P | A | -0.4865 | |
| 364 | G | A | -0.5035 | |
| 365 | P | A | -0.5862 | |
| 366 | G | A | -0.1534 | |
| 367 | A | A | 1.3148 | |
| 368 | V | A | 2.3802 | |
| 369 | V | A | 2.4570 | |
| 370 | A | A | 1.2298 | |
| 371 | E | A | -0.5598 | |
| 372 | A | A | 0.0825 | |
| 373 | V | A | 0.7821 | |
| 374 | A | A | -0.4005 | |
| 375 | G | A | -1.3049 | |
| 376 | D | A | -2.5850 | |
| 377 | R | A | -3.0182 | |
| 378 | N | A | -2.9338 | |
| 379 | A | A | -1.2784 | |
| 380 | L | A | -0.3468 | |
| 381 | R | A | -2.1321 | |
| 382 | E | A | -1.9061 | |
| 383 | V | A | 0.3714 | |
| 384 | G | A | -0.4246 | |
| 385 | P | A | -0.6029 | |
| 386 | G | A | -0.5401 | |
| 387 | P | A | -0.1669 | |
| 388 | G | A | 0.3611 | |
| 389 | V | A | 1.6942 | |
| 390 | V | A | 1.7663 | |
| 391 | E | A | -0.9505 | |
| 392 | N | A | -1.1185 | |
| 393 | L | A | -0.0319 | |
| 394 | N | A | -1.4843 | |
| 395 | A | A | -1.3407 | |
| 396 | D | A | -2.0776 | |
| 397 | A | A | -1.3423 | |
| 398 | D | A | -1.3528 | |
| 399 | V | A | 0.6488 | |
| 400 | A | A | 0.2569 | |
| 401 | G | A | -0.5579 | |
| 402 | T | A | -0.7002 | |
| 403 | Q | A | -1.5159 | |
| 404 | T | A | -0.9476 | |
| 405 | G | A | -1.0084 | |
| 406 | P | A | -0.9591 | |
| 407 | G | A | -0.9068 | |
| 408 | P | A | -1.3462 | |
| 409 | G | A | -2.1457 | |
| 410 | R | A | -3.0741 | |
| 411 | R | A | -3.2001 | |
| 412 | S | A | -1.7934 | |
| 413 | A | A | -1.1357 | |
| 414 | R | A | -1.7857 | |
| 415 | F | A | 0.0081 | |
| 416 | R | A | -1.3264 | |
| 417 | N | A | -0.6189 | |
| 418 | V | A | 1.6014 | |
| 419 | V | A | 1.7734 | |
| 420 | G | A | 0.4094 | |
| 421 | S | A | -0.3637 | |
| 422 | T | A | -1.2888 | |
| 423 | D | A | -2.6169 | |
| 424 | Q | A | -2.3566 | |
| 425 | S | A | -1.5189 | |
| 426 | G | A | -1.2481 | |
| 427 | T | A | -0.7958 | |
| 428 | G | A | -0.8972 | |
| 429 | P | A | -0.9326 | |
| 430 | G | A | -1.1592 | |
| 431 | P | A | -1.5437 | |
| 432 | G | A | -1.8448 | |
| 433 | G | A | -2.4053 | |
| 434 | N | A | -3.0543 | |
| 435 | R | A | -3.0210 | |
| 436 | H | A | -2.6160 | |
| 437 | R | A | -2.5748 | |
| 438 | L | A | -0.5432 | |
| 439 | V | A | -0.0048 | |
| 440 | L | A | -0.0082 | |
| 441 | D | A | -0.6399 | |
| 442 | D | A | -0.3647 | |
| 443 | V | A | 0.2490 | |
| 444 | L | A | -0.1527 | |
| 445 | A | A | -1.0504 | |
| 446 | Y | A | -1.5399 | |
| 447 | R | A | -3.0565 | |
| 448 | E | A | -3.2222 | |
| 449 | A | A | -2.5557 | |
| 450 | R | A | -3.5007 | |
| 451 | G | A | -2.4631 | |
| 452 | S | A | -1.7616 | |
| 453 | G | A | -1.5925 | |
| 454 | A | A | -0.8760 | |
| 455 | T | A | -0.4340 | |
| 456 | N | A | -0.4692 | |
| 457 | F | A | 1.2556 | |
| 458 | S | A | 0.1438 | |
| 459 | L | A | 0.2141 | |
| 460 | L | A | -0.0768 | |
| 461 | K | A | -1.7037 | |
| 462 | Q | A | -1.4400 | |
| 463 | A | A | -1.2997 | |
| 464 | G | A | -1.9312 | |
| 465 | D | A | -2.6906 | |
| 466 | V | A | -2.2868 | |
| 467 | E | A | -3.5318 | |
| 468 | E | A | -3.5646 | |
| 469 | N | A | -2.8902 | |
| 470 | P | A | -1.9581 | |
| 471 | G | A | -0.8799 | |
| 472 | P | A | -0.6411 | |
| 473 | M | A | -0.4858 | |
| 474 | D | A | -1.6380 | |
| 475 | A | A | -1.2413 | |
| 476 | M | A | -0.9324 | |
| 477 | K | A | -1.2446 | |
| 478 | R | A | -1.7809 | |
| 479 | G | A | -0.8521 | |
| 480 | L | A | 0.0000 | |
| 481 | C | A | 0.1357 | |
| 482 | C | A | 0.8836 | |
| 483 | V | A | 0.9399 | |
| 484 | L | A | 0.9177 | |
| 485 | L | A | 1.4263 | |
| 486 | L | A | 1.7968 | |
| 487 | C | A | 0.0000 | |
| 488 | G | A | 0.0000 | |
| 489 | A | A | 1.5221 | |
| 490 | V | A | 0.6610 | |
| 491 | F | A | 1.0170 | |
| 492 | V | A | 1.8027 | |
| 493 | S | A | 0.5230 | |
| 494 | P | A | -0.0929 | |
| 495 | S | A | -0.4002 | |
| 496 | G | A | -0.5608 | |
| 497 | G | A | -0.8659 | |
| 498 | S | A | -0.3897 | |
| 499 | G | A | -0.5386 | |
| 500 | G | A | -1.2306 | |
| 501 | R | A | -1.1065 | |
| 502 | V | A | 0.0000 | |
| 503 | E | A | -1.9417 | |
| 504 | R | A | -2.2030 | |
| 505 | V | A | 0.0000 | |
| 506 | A | A | 0.0000 | |
| 507 | L | A | -0.9543 | |
| 508 | A | A | -0.4463 | |
| 509 | L | A | 0.0000 | |
| 510 | L | A | 0.0000 | |
| 511 | T | A | -1.4501 | |
| 512 | Y | A | 0.0000 | |
| 513 | V | A | 0.0000 | |
| 514 | E | A | -3.1562 | |
| 515 | E | A | -3.4886 | |
| 516 | R | A | -3.4650 | |
| 517 | T | A | -2.8472 | |
| 518 | D | A | -2.5442 | |
| 519 | G | A | 0.0000 | |
| 520 | F | A | 0.0000 | |
| 521 | R | A | -2.6533 | |
| 522 | I | A | -1.1599 | |
| 523 | M | A | 0.0000 | |
| 524 | I | A | -1.1939 | |
| 525 | R | A | -2.6403 | |
| 526 | D | A | -2.5849 | |
| 527 | S | A | -1.1695 | |
| 528 | P | A | -0.8652 | |
| 529 | A | A | -0.1469 | |
| 530 | S | A | 0.1332 | |
| 531 | I | A | 0.6926 | |
| 532 | S | A | 0.0666 | |
| 533 | S | A | -0.0681 | |
| 534 | G | A | -0.3946 | |
| 535 | T | A | -0.2183 | |
| 536 | Y | A | 0.0000 | |
| 537 | S | A | -0.6136 | |
| 538 | S | A | -0.9552 | |
| 539 | L | A | -0.7573 | |
| 540 | L | A | -1.0429 | |
| 541 | N | A | -2.1522 | |
| 542 | D | A | -1.9726 | |
| 543 | A | A | 0.0000 | |
| 544 | V | A | -0.9561 | |
| 545 | S | A | -1.2922 | |
| 546 | Q | A | -0.7833 | |
| 547 | V | A | 0.0000 | |
| 548 | S | A | -0.3434 | |
| 549 | S | A | -0.4096 | |
| 550 | I | A | 0.2282 | |
| 551 | L | A | -0.0969 | |
| 552 | A | A | -1.2558 | |
| 553 | G | A | -1.3858 | |
| 554 | D | A | -2.1785 | |
| 555 | F | A | 0.0000 | |
| 556 | A | A | -2.4540 | |
| 557 | R | A | -3.3537 | |
| 558 | R | A | -3.2842 | |
| 559 | G | A | -2.1151 | |
| 560 | L | A | -1.6389 | |
| 561 | D | A | -2.5269 | |
| 562 | P | A | -2.1601 | |
| 563 | D | A | -1.7029 | |
| 564 | L | A | 0.0036 | |
| 565 | A | A | 0.0000 | |
| 566 | P | A | 0.3476 | |
| 567 | L | A | 1.5495 | |
| 568 | Y | A | 1.3697 | |
| 569 | A | A | 0.0000 | |
| 570 | Q | A | -0.5412 | |
| 571 | A | A | 0.3195 | |
| 572 | L | A | 0.3877 | |
| 573 | V | A | 0.0000 | |
| 574 | G | A | -0.2355 | |
| 575 | S | A | 0.3209 | |
| 576 | V | A | 0.0000 | |
| 577 | S | A | 0.0000 | |
| 578 | M | A | 0.9873 | |
| 579 | T | A | 0.0000 | |
| 580 | A | A | 0.0000 | |
| 581 | Q | A | -0.1155 | |
| 582 | W | A | 0.1722 | |
| 583 | W | A | 0.0000 | |
| 584 | L | A | -1.5300 | |
| 585 | D | A | -2.1256 | |
| 586 | A | A | -1.6792 | |
| 587 | R | A | -2.4719 | |
| 588 | E | A | -2.8540 | |
| 589 | P | A | -2.3838 | |
| 590 | K | A | -3.0115 | |
| 591 | K | A | -2.4627 | |
| 592 | E | A | -2.4674 | |
| 593 | V | A | -1.5846 | |
| 594 | V | A | 0.0000 | |
| 595 | A | A | 0.0000 | |
| 596 | A | A | -0.8863 | |
| 597 | H | A | -0.6557 | |
| 598 | L | A | 0.0000 | |
| 599 | V | A | 0.0000 | |
| 600 | N | A | 0.0032 | |
| 601 | L | A | 1.0062 | |
| 602 | V | A | 1.6963 | |
| 603 | W | A | 1.3663 | |
| 604 | N | A | -0.2377 | |
| 605 | G | A | -0.0979 | |
| 606 | S | A | -0.5654 | |
| 607 | G | A | -1.4151 | |
| 608 | H | A | -2.0362 | |
| 609 | H | A | -2.4979 | |
| 610 | H | A | -2.6755 | |
| 611 | H | A | -2.6633 | |
| 612 | H | A | -2.3314 | |
| 613 | H | A | -1.8109 |
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 | 0.0777 | 6.096 | View | CSV | PDB |
| 4.5 | 0.0022 | 6.096 | View | CSV | PDB |
| 5.0 | -0.0961 | 6.096 | View | CSV | PDB |
| 5.5 | -0.1984 | 6.096 | View | CSV | PDB |
| 6.0 | -0.2879 | 6.096 | View | CSV | PDB |
| 6.5 | -0.3545 | 6.096 | View | CSV | PDB |
| 7.0 | -0.3968 | 6.096 | View | CSV | PDB |
| 7.5 | -0.421 | 6.096 | View | CSV | PDB |
| 8.0 | -0.4348 | 6.096 | View | CSV | PDB |
| 8.5 | -0.4411 | 6.096 | View | CSV | PDB |
| 9.0 | -0.4387 | 6.0959 | 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