| Chain sequence(s) |
A: MAINPSLLFLSLLFLFNGCLARQTFSSQQSQNECQINRLRASAPQTRIRSEAGTTEWWNPNCQQLRCAGVSVMRQTIEPNGLVLPSFTNAPQLLYIVQGRGIQGIVMPGCAETFQDSQQWQHQSRGRFQDQHQKVRRFRQGDIIALPQGVVHWSYNDGNERVVTINLLDTGNSANQLDNIPRRFHLAGNPEEEQRQLRRLAQQMQGRSERGEESEEEEGEGEEEEEEDNPSRRSRHQEEEEQGRESSSCNNLLCAFDRNFLAQAFNVDHDIIRKIQRVRGNRGTIIRVRDRLQVVTPPRMEEEEREERQQEQRYRHTRGGSQDNGLEETFCSMRIKENLADPERADIFNPQAGRISTLNRFNLPILQRLELSAERGVLYNRAGLIPQWNVNAHKILYMLRGCARVQVVNHNGDAVFDDNVEQGQLLTVPQNFAFMKQAGNEGAEWISFFTNSEATNTPMAGSVSFMRALPEEVVAASYQVSREDARRIKFNNKNTFFFTPSQSERRADA
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] (00:00:01)
[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 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 (00:07:28)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/c569dbf56fab32e/tmp/folded.pdb (00:07:28)
[INFO] Main: Simulation completed successfully. (00:09:58)
|
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 | 1.4531 | |
| 2 | A | A | 1.1776 | |
| 3 | I | A | 1.7919 | |
| 4 | N | A | 0.1863 | |
| 5 | P | A | 0.8938 | |
| 6 | S | A | 1.4711 | |
| 7 | L | A | 3.0741 | |
| 8 | L | A | 3.4693 | |
| 9 | F | A | 4.1906 | |
| 10 | L | A | 3.8833 | |
| 11 | S | A | 3.6585 | |
| 12 | L | A | 4.1757 | |
| 13 | L | A | 3.7008 | |
| 14 | F | A | 3.8078 | |
| 15 | L | A | 3.5580 | |
| 16 | F | A | 3.2100 | |
| 17 | N | A | 1.2937 | |
| 18 | G | A | 1.1758 | |
| 19 | C | A | 1.0089 | |
| 20 | L | A | 0.9985 | |
| 21 | A | A | -0.2605 | |
| 22 | R | A | -1.4901 | |
| 23 | Q | A | -1.2198 | |
| 24 | T | A | -0.5425 | |
| 25 | F | A | 0.5306 | |
| 26 | S | A | -0.1505 | |
| 27 | S | A | -0.7748 | |
| 28 | Q | A | -1.6803 | |
| 29 | Q | A | -2.1127 | |
| 30 | S | A | -2.1084 | |
| 31 | Q | A | -2.5397 | |
| 32 | N | A | -2.5537 | |
| 33 | E | A | -2.2061 | |
| 34 | C | A | -1.7172 | |
| 35 | Q | A | -2.5614 | |
| 36 | I | A | 0.0000 | |
| 37 | N | A | -2.6729 | |
| 38 | R | A | -3.2563 | |
| 39 | L | A | 0.0000 | |
| 40 | R | A | -2.7353 | |
| 41 | A | A | 0.0000 | |
| 42 | S | A | -1.0031 | |
| 43 | A | A | -0.9386 | |
| 44 | P | A | -1.1134 | |
| 45 | Q | A | -1.7150 | |
| 46 | T | A | -1.5859 | |
| 47 | R | A | -2.8073 | |
| 48 | I | A | 0.0000 | |
| 49 | R | A | -2.9357 | |
| 50 | S | A | 0.0000 | |
| 51 | E | A | -1.6365 | |
| 52 | A | A | 0.0000 | |
| 53 | G | A | -1.2071 | |
| 54 | T | A | -1.3972 | |
| 55 | T | A | 0.0000 | |
| 56 | E | A | 0.0000 | |
| 57 | W | A | 0.0000 | |
| 58 | W | A | 0.0000 | |
| 59 | N | A | -0.8307 | |
| 60 | P | A | 0.0000 | |
| 61 | N | A | -0.8741 | |
| 62 | C | A | -0.6573 | |
| 63 | Q | A | -1.4582 | |
| 64 | Q | A | 0.0000 | |
| 65 | L | A | 0.0000 | |
| 66 | R | A | -1.2334 | |
| 67 | C | A | 0.0000 | |
| 68 | A | A | 0.0000 | |
| 69 | G | A | -0.7660 | |
| 70 | V | A | 0.0000 | |
| 71 | S | A | 0.0000 | |
| 72 | V | A | 0.0000 | |
| 73 | M | A | 0.0000 | |
| 74 | R | A | -0.4435 | |
| 75 | Q | A | 0.0000 | |
| 76 | T | A | -0.7832 | |
| 77 | I | A | 0.0000 | |
| 78 | E | A | -2.0419 | |
| 79 | P | A | -2.2542 | |
| 80 | N | A | -2.1732 | |
| 81 | G | A | 0.0000 | |
| 82 | L | A | -0.0244 | |
| 83 | V | A | 0.0000 | |
| 84 | L | A | 0.0000 | |
| 85 | P | A | 0.4852 | |
| 86 | S | A | 0.0000 | |
| 87 | F | A | 0.5560 | |
| 88 | T | A | 0.0000 | |
| 89 | N | A | 0.0000 | |
| 90 | A | A | 0.0000 | |
| 91 | P | A | 0.0000 | |
| 92 | Q | A | 0.0000 | |
| 93 | L | A | 0.0000 | |
| 94 | L | A | 0.0000 | |
| 95 | Y | A | 0.0000 | |
| 96 | I | A | 0.0000 | |
| 97 | V | A | -0.8085 | |
| 98 | Q | A | -1.8802 | |
| 99 | G | A | -2.7869 | |
| 100 | R | A | -2.9300 | |
| 101 | G | A | 0.0000 | |
| 102 | I | A | 0.0000 | |
| 103 | Q | A | 0.0000 | |
| 104 | G | A | 0.0000 | |
| 105 | I | A | 0.0000 | |
| 106 | V | A | 0.5571 | |
| 107 | M | A | 0.0000 | |
| 108 | P | A | -0.2056 | |
| 109 | G | A | -0.4738 | |
| 110 | C | A | -0.2806 | |
| 111 | A | A | -0.8873 | |
| 112 | E | A | -2.3193 | |
| 113 | T | A | -1.8786 | |
| 114 | F | A | -1.8504 | |
| 115 | Q | A | -3.2820 | |
| 116 | D | A | -3.3276 | |
| 117 | S | A | -2.5232 | |
| 118 | Q | A | -2.8164 | |
| 119 | Q | A | -1.9365 | |
| 120 | W | A | -0.8677 | |
| 121 | Q | A | -2.5274 | |
| 122 | H | A | -2.5157 | |
| 123 | Q | A | -2.6806 | |
| 124 | S | A | -2.6806 | |
| 125 | R | A | -3.1344 | |
| 126 | G | A | -2.4414 | |
| 127 | R | A | -3.3834 | |
| 128 | F | A | -2.0298 | |
| 129 | Q | A | -2.9643 | |
| 130 | D | A | -2.9477 | |
| 131 | Q | A | -3.1344 | |
| 132 | H | A | -1.9311 | |
| 133 | Q | A | -1.3811 | |
| 134 | K | A | -1.2013 | |
| 135 | V | A | 0.0000 | |
| 136 | R | A | -0.6185 | |
| 137 | R | A | -1.3571 | |
| 138 | F | A | 0.0000 | |
| 139 | R | A | -2.8909 | |
| 140 | Q | A | -2.2678 | |
| 141 | G | A | 0.0000 | |
| 142 | D | A | 0.0000 | |
| 143 | I | A | 0.0000 | |
| 144 | I | A | 0.0000 | |
| 145 | A | A | 0.0000 | |
| 146 | L | A | 0.0000 | |
| 147 | P | A | 0.0000 | |
| 148 | Q | A | -0.5189 | |
| 149 | G | A | -0.2267 | |
| 150 | V | A | 0.0000 | |
| 151 | V | A | 0.6752 | |
| 152 | H | A | 0.0000 | |
| 153 | W | A | 0.3904 | |
| 154 | S | A | 0.0000 | |
| 155 | Y | A | 0.0000 | |
| 156 | N | A | 0.0000 | |
| 157 | D | A | -1.6447 | |
| 158 | G | A | -2.2931 | |
| 159 | N | A | -2.8816 | |
| 160 | E | A | -3.6769 | |
| 161 | R | A | -3.3156 | |
| 162 | V | A | 0.0000 | |
| 163 | V | A | -0.9017 | |
| 164 | T | A | 0.0000 | |
| 165 | I | A | 0.0000 | |
| 166 | N | A | 0.0000 | |
| 167 | L | A | 0.0000 | |
| 168 | L | A | 0.0000 | |
| 169 | D | A | 0.0000 | |
| 170 | T | A | 0.0000 | |
| 171 | G | A | -0.7885 | |
| 172 | N | A | -0.8081 | |
| 173 | S | A | -0.3263 | |
| 174 | A | A | -0.6770 | |
| 175 | N | A | -0.6144 | |
| 176 | Q | A | -0.6895 | |
| 177 | L | A | 0.2846 | |
| 178 | D | A | -0.8595 | |
| 179 | N | A | -1.0347 | |
| 180 | I | A | -0.6991 | |
| 181 | P | A | 0.0000 | |
| 182 | R | A | -0.4110 | |
| 183 | R | A | 0.0000 | |
| 184 | F | A | 0.7507 | |
| 185 | H | A | 0.0000 | |
| 186 | L | A | 0.9757 | |
| 187 | A | A | 0.4954 | |
| 188 | G | A | 0.0000 | |
| 189 | N | A | -1.3753 | |
| 190 | P | A | 0.0000 | |
| 191 | E | A | -2.3984 | |
| 192 | E | A | -3.7637 | |
| 193 | E | A | 0.0000 | |
| 194 | Q | A | -2.7472 | |
| 195 | R | A | -4.0174 | |
| 196 | Q | A | -3.2187 | |
| 197 | L | A | 0.0000 | |
| 198 | R | A | -4.0986 | |
| 199 | R | A | -3.8580 | |
| 200 | L | A | 0.0000 | |
| 201 | A | A | 0.0000 | |
| 202 | Q | A | -3.2436 | |
| 203 | Q | A | -2.7490 | |
| 204 | M | A | -2.4949 | |
| 205 | Q | A | -2.9880 | |
| 206 | G | A | -3.1970 | |
| 207 | R | A | -4.1878 | |
| 208 | S | A | -3.3012 | |
| 209 | E | A | -4.0165 | |
| 210 | R | A | -4.5389 | |
| 211 | G | A | -4.1351 | |
| 212 | E | A | -4.1039 | |
| 213 | E | A | -3.8928 | |
| 214 | S | A | -3.5172 | |
| 215 | E | A | -4.1650 | |
| 216 | E | A | -4.3603 | |
| 217 | E | A | -4.4708 | |
| 218 | E | A | -4.1029 | |
| 219 | G | A | -3.2456 | |
| 220 | E | A | -3.3358 | |
| 221 | G | A | -3.1264 | |
| 222 | E | A | -3.7451 | |
| 223 | E | A | -4.3036 | |
| 224 | E | A | -4.6644 | |
| 225 | E | A | -4.6719 | |
| 226 | E | A | -4.7792 | |
| 227 | E | A | -4.5517 | |
| 228 | D | A | -4.0345 | |
| 229 | N | A | -3.2374 | |
| 230 | P | A | -2.4806 | |
| 231 | S | A | -2.2916 | |
| 232 | R | A | -3.4330 | |
| 233 | R | A | -3.7681 | |
| 234 | S | A | -3.6281 | |
| 235 | R | A | -4.6104 | |
| 236 | H | A | -4.2131 | |
| 237 | Q | A | -4.8996 | |
| 238 | E | A | -5.4328 | |
| 239 | E | A | -5.8010 | |
| 240 | E | A | -5.5901 | |
| 241 | E | A | -5.3600 | |
| 242 | Q | A | -4.7374 | |
| 243 | G | A | -3.9671 | |
| 244 | R | A | -4.3137 | |
| 245 | E | A | -3.4561 | |
| 246 | S | A | -2.1775 | |
| 247 | S | A | -1.1767 | |
| 248 | S | A | -0.5594 | |
| 249 | C | A | 0.4490 | |
| 250 | N | A | 0.0000 | |
| 251 | N | A | 0.0000 | |
| 252 | L | A | 1.2581 | |
| 253 | L | A | 0.7196 | |
| 254 | C | A | 0.1922 | |
| 255 | A | A | 0.4406 | |
| 256 | F | A | 0.4949 | |
| 257 | D | A | -1.3195 | |
| 258 | R | A | -2.0309 | |
| 259 | N | A | -1.4201 | |
| 260 | F | A | 0.3873 | |
| 261 | L | A | 0.0000 | |
| 262 | A | A | 0.0000 | |
| 263 | Q | A | -1.1579 | |
| 264 | A | A | 0.1689 | |
| 265 | F | A | 0.7084 | |
| 266 | N | A | -0.9251 | |
| 267 | V | A | -0.9213 | |
| 268 | D | A | -2.5369 | |
| 269 | H | A | -2.5560 | |
| 270 | D | A | -2.6835 | |
| 271 | I | A | -0.9464 | |
| 272 | I | A | 0.0000 | |
| 273 | R | A | -2.3909 | |
| 274 | K | A | -2.3365 | |
| 275 | I | A | -0.4858 | |
| 276 | Q | A | 0.0000 | |
| 277 | R | A | -1.6458 | |
| 278 | V | A | -1.7612 | |
| 279 | R | A | -2.7204 | |
| 280 | G | A | -2.1919 | |
| 281 | N | A | -2.7368 | |
| 282 | R | A | -2.1059 | |
| 283 | G | A | -1.7749 | |
| 284 | T | A | 0.0000 | |
| 285 | I | A | 0.0000 | |
| 286 | I | A | -0.7119 | |
| 287 | R | A | -1.5888 | |
| 288 | V | A | -1.8733 | |
| 289 | R | A | -3.1373 | |
| 290 | D | A | -3.7356 | |
| 291 | R | A | -3.4098 | |
| 292 | L | A | -1.9588 | |
| 293 | Q | A | -1.6751 | |
| 294 | V | A | -1.0422 | |
| 295 | V | A | -1.2303 | |
| 296 | T | A | -0.8692 | |
| 297 | P | A | -0.9446 | |
| 298 | P | A | -1.3301 | |
| 299 | R | A | -3.1299 | |
| 300 | M | A | -3.4593 | |
| 301 | E | A | -4.3892 | |
| 302 | E | A | -4.5146 | |
| 303 | E | A | -5.4186 | |
| 304 | E | A | -4.9242 | |
| 305 | R | A | -5.4025 | |
| 306 | E | A | -6.0290 | |
| 307 | E | A | -5.9737 | |
| 308 | R | A | -4.9909 | |
| 309 | Q | A | -4.9885 | |
| 310 | Q | A | -4.5197 | |
| 311 | E | A | -4.4959 | |
| 312 | Q | A | -4.1736 | |
| 313 | R | A | -3.7140 | |
| 314 | Y | A | -2.1175 | |
| 315 | R | A | -2.6444 | |
| 316 | H | A | -2.5804 | |
| 317 | T | A | -1.9727 | |
| 318 | R | A | -2.4547 | |
| 319 | G | A | -1.7723 | |
| 320 | G | A | -1.7916 | |
| 321 | S | A | -1.9844 | |
| 322 | Q | A | -2.7305 | |
| 323 | D | A | -3.2259 | |
| 324 | N | A | -2.9140 | |
| 325 | G | A | -1.5910 | |
| 326 | L | A | -0.0421 | |
| 327 | E | A | -1.2580 | |
| 328 | E | A | -2.2529 | |
| 329 | T | A | -0.9384 | |
| 330 | F | A | 0.3740 | |
| 331 | C | A | -0.1045 | |
| 332 | S | A | -0.5898 | |
| 333 | M | A | -0.1494 | |
| 334 | R | A | -0.6447 | |
| 335 | I | A | 0.0000 | |
| 336 | K | A | 0.0000 | |
| 337 | E | A | 0.0000 | |
| 338 | N | A | -1.0338 | |
| 339 | L | A | 0.0000 | |
| 340 | A | A | -1.2964 | |
| 341 | D | A | -1.9847 | |
| 342 | P | A | -1.7171 | |
| 343 | E | A | -2.4802 | |
| 344 | R | A | -1.8394 | |
| 345 | A | A | -1.2981 | |
| 346 | D | A | -1.5729 | |
| 347 | I | A | 0.2413 | |
| 348 | F | A | 0.8103 | |
| 349 | N | A | 0.1734 | |
| 350 | P | A | -0.5154 | |
| 351 | Q | A | -1.2348 | |
| 352 | A | A | 0.0000 | |
| 353 | G | A | 0.0000 | |
| 354 | R | A | -0.0604 | |
| 355 | I | A | 0.0000 | |
| 356 | S | A | 0.0000 | |
| 357 | T | A | -0.4196 | |
| 358 | L | A | 0.0000 | |
| 359 | N | A | -0.7027 | |
| 360 | R | A | -1.0173 | |
| 361 | F | A | 1.0137 | |
| 362 | N | A | 0.0920 | |
| 363 | L | A | 0.0000 | |
| 364 | P | A | -0.7856 | |
| 365 | I | A | 0.0000 | |
| 366 | L | A | 0.0000 | |
| 367 | Q | A | -2.6465 | |
| 368 | R | A | -2.9174 | |
| 369 | L | A | 0.0000 | |
| 370 | E | A | -2.5865 | |
| 371 | L | A | 0.0000 | |
| 372 | S | A | 0.0000 | |
| 373 | A | A | 0.0000 | |
| 374 | E | A | 0.0000 | |
| 375 | R | A | 0.0000 | |
| 376 | G | A | 0.0000 | |
| 377 | V | A | 0.0526 | |
| 378 | L | A | 0.0000 | |
| 379 | Y | A | -1.2677 | |
| 380 | N | A | -2.8368 | |
| 381 | R | A | -2.1400 | |
| 382 | A | A | 0.0000 | |
| 383 | G | A | 0.0000 | |
| 384 | L | A | 0.0000 | |
| 385 | I | A | 0.0000 | |
| 386 | P | A | 0.2122 | |
| 387 | Q | A | 0.0000 | |
| 388 | W | A | -0.0736 | |
| 389 | N | A | 0.0000 | |
| 390 | V | A | 0.0431 | |
| 391 | N | A | -0.6153 | |
| 392 | A | A | 0.0000 | |
| 393 | H | A | -0.5331 | |
| 394 | K | A | 0.0000 | |
| 395 | I | A | 0.0000 | |
| 396 | L | A | 0.0000 | |
| 397 | Y | A | 0.0000 | |
| 398 | M | A | 0.0000 | |
| 399 | L | A | 0.0000 | |
| 400 | R | A | -2.8463 | |
| 401 | G | A | -2.5548 | |
| 402 | C | A | -2.5843 | |
| 403 | A | A | 0.0000 | |
| 404 | R | A | -3.2260 | |
| 405 | V | A | 0.0000 | |
| 406 | Q | A | -1.4280 | |
| 407 | V | A | 0.0000 | |
| 408 | V | A | -1.0247 | |
| 409 | N | A | -2.0323 | |
| 410 | H | A | -2.1799 | |
| 411 | N | A | -2.3298 | |
| 412 | G | A | -1.6718 | |
| 413 | D | A | -1.9195 | |
| 414 | A | A | -1.3526 | |
| 415 | V | A | 0.0000 | |
| 416 | F | A | 0.0000 | |
| 417 | D | A | -2.6182 | |
| 418 | D | A | -3.3337 | |
| 419 | N | A | -3.4024 | |
| 420 | V | A | 0.0000 | |
| 421 | E | A | -3.2426 | |
| 422 | Q | A | -2.8385 | |
| 423 | G | A | -1.5003 | |
| 424 | Q | A | -1.3639 | |
| 425 | L | A | 0.0000 | |
| 426 | L | A | 0.0000 | |
| 427 | T | A | 0.0000 | |
| 428 | V | A | 0.0000 | |
| 429 | P | A | 0.0000 | |
| 430 | Q | A | -0.9800 | |
| 431 | N | A | -1.1737 | |
| 432 | F | A | 0.0000 | |
| 433 | A | A | -0.2627 | |
| 434 | F | A | 0.0000 | |
| 435 | M | A | -0.2364 | |
| 436 | K | A | 0.0000 | |
| 437 | Q | A | -1.4244 | |
| 438 | A | A | 0.0000 | |
| 439 | G | A | -2.3999 | |
| 440 | N | A | -2.9716 | |
| 441 | E | A | -3.1127 | |
| 442 | G | A | 0.0000 | |
| 443 | A | A | 0.0000 | |
| 444 | E | A | -1.1305 | |
| 445 | W | A | 0.0000 | |
| 446 | I | A | 0.0000 | |
| 447 | S | A | 0.0000 | |
| 448 | F | A | 0.0000 | |
| 449 | F | A | 0.0000 | |
| 450 | T | A | -0.7990 | |
| 451 | N | A | -1.4234 | |
| 452 | S | A | -1.7803 | |
| 453 | E | A | -1.2021 | |
| 454 | A | A | -0.8141 | |
| 455 | T | A | -0.2598 | |
| 456 | N | A | -0.3344 | |
| 457 | T | A | 0.4012 | |
| 458 | P | A | 0.0000 | |
| 459 | M | A | 0.6673 | |
| 460 | A | A | 0.3642 | |
| 461 | G | A | 0.0000 | |
| 462 | S | A | 0.1383 | |
| 463 | V | A | 1.4229 | |
| 464 | S | A | 0.0000 | |
| 465 | F | A | 1.0742 | |
| 466 | M | A | 0.0000 | |
| 467 | R | A | 0.4320 | |
| 468 | A | A | 0.4342 | |
| 469 | L | A | 0.3184 | |
| 470 | P | A | -0.5545 | |
| 471 | E | A | -2.1545 | |
| 472 | E | A | -1.6231 | |
| 473 | V | A | 0.0705 | |
| 474 | V | A | 0.0000 | |
| 475 | A | A | 0.0000 | |
| 476 | A | A | -0.3872 | |
| 477 | S | A | 0.1322 | |
| 478 | Y | A | 0.4377 | |
| 479 | Q | A | -0.8637 | |
| 480 | V | A | -1.0172 | |
| 481 | S | A | -2.4910 | |
| 482 | R | A | -3.9237 | |
| 483 | E | A | -4.0442 | |
| 484 | D | A | -3.5203 | |
| 485 | A | A | 0.0000 | |
| 486 | R | A | -3.3254 | |
| 487 | R | A | -3.2341 | |
| 488 | I | A | -1.2015 | |
| 489 | K | A | 0.0000 | |
| 490 | F | A | -0.8407 | |
| 491 | N | A | -2.0362 | |
| 492 | N | A | -1.4404 | |
| 493 | K | A | -1.7998 | |
| 494 | N | A | -0.9846 | |
| 495 | T | A | 0.1916 | |
| 496 | F | A | 0.5101 | |
| 497 | F | A | 0.0000 | |
| 498 | F | A | -0.2009 | |
| 499 | T | A | -0.8289 | |
| 500 | P | A | 0.0000 | |
| 501 | S | A | -1.5562 | |
| 502 | Q | A | -2.4243 | |
| 503 | S | A | -2.3974 | |
| 504 | E | A | -2.9293 | |
| 505 | R | A | -3.3908 | |
| 506 | R | A | -3.4694 | |
| 507 | A | A | -2.4669 | |
| 508 | D | A | -3.0974 | |
| 509 | A | A | -1.7020 |
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 | -0.9369 | 7.3219 | View | CSV | PDB |
| 4.5 | -1.0261 | 7.3219 | View | CSV | PDB |
| 5.0 | -1.144 | 7.3219 | View | CSV | PDB |
| 5.5 | -1.2726 | 7.3219 | View | CSV | PDB |
| 6.0 | -1.3938 | 7.3219 | View | CSV | PDB |
| 6.5 | -1.4924 | 7.3219 | View | CSV | PDB |
| 7.0 | -1.5612 | 7.3219 | View | CSV | PDB |
| 7.5 | -1.6056 | 7.3219 | View | CSV | PDB |
| 8.0 | -1.6357 | 7.3219 | View | CSV | PDB |
| 8.5 | -1.6565 | 7.3219 | View | CSV | PDB |
| 9.0 | -1.669 | 7.3219 | 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