| Chain sequence(s) |
A: MAEKFESLMNIHGFDLGSRYMDLKPLGCGGNGLVFSAVDNDCDKRVAIKKIVLTDPQSVKHALREIKIIRRLDHDNIVKVFEILGPSGSQLTDDVGSLTELNSVYIVQEYMETDLANVLEQGPLLEEHARLFMYQLLRGLKYIHSANVLHRDLKPANLFINTEDLVLKIGDFGLARIMDPHYSHKGHLSEGLVTKWYRSPRLLLSPNNYTKAIDMWAAGCIFAEMLTGKTLFAGAHELEQMQLILESIPVVHEEDRQELLSVIPVYIRNDMTEPHKPLTQLLPGISREALDFLEQILTFSPMDRLTAEEALSHPYMSIYSFPMDEPISSHPFHIEDEVDDILLMDETHSHIYNWERYHDCQFSEHDWPVHNNFDIDEVQLDPRALSDVTDEEEVQVDPRKYLDGDREKYLEDPAFDTNYSTEPCWQYSDHHENKYCDLECSHTCNYKTRSSSYLDNLVWRESEVNHYYEPKLIIDLSNWKEQSKEKSDKKGKSKCERNGLVKAQIALEEASQQLAGKEREKNQGFDFDSFIAGTIQLSSQHEPTDVVDKLNDLNSSVSQLELKSLISKSVSQEKQEKGMANLAQLEALYQSSWDSQFVSGGEDCFFINQFCEVRKDEQVEKENTYTSYLDKFFSRKEDTEMLETEPVEDGKLGERGHEEGFLNNSGEFLFNKQLESIGIPQFHSPVGSPLKSIQATLTPSAMKSSPQIPHQTYSSILKHLN
input PDB |
| Selected Chain(s) | A |
| Distance of aggregation | 5 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 partially or entirely disordered. Average score is
recommended for pH analysis. (00:00:04)
[INFO] FoldX: Starting FoldX energy minimization (00:00:05)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:13:39)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/48e82a071cf6cec/tmp/folded.pdb (00:13:39)
[INFO] Main: Simulation completed successfully. (00:18:52)
|
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 | 1.0638 | |
| 2 | A | A | -0.0432 | |
| 3 | E | A | -2.1135 | |
| 4 | K | A | -1.9716 | |
| 5 | F | A | -0.2952 | |
| 6 | E | A | -1.7851 | |
| 7 | S | A | -0.3903 | |
| 8 | L | A | 0.5214 | |
| 9 | M | A | 0.0065 | |
| 10 | N | A | -0.8788 | |
| 11 | I | A | 1.7425 | |
| 12 | H | A | -0.1037 | |
| 13 | G | A | -0.4396 | |
| 14 | F | A | -0.0058 | |
| 15 | D | A | -0.9616 | |
| 16 | L | A | 0.0000 | |
| 17 | G | A | -0.5410 | |
| 18 | S | A | -0.4129 | |
| 19 | R | A | -0.6919 | |
| 20 | Y | A | 0.0000 | |
| 21 | M | A | 0.7201 | |
| 22 | D | A | -0.6851 | |
| 23 | L | A | -0.0206 | |
| 24 | K | A | -1.3353 | |
| 25 | P | A | -0.2016 | |
| 26 | L | A | 0.8046 | |
| 27 | G | A | 0.1190 | |
| 28 | C | A | 0.6156 | |
| 29 | G | A | -0.4179 | |
| 30 | G | A | -0.6961 | |
| 31 | N | A | -0.9138 | |
| 32 | G | A | -0.2411 | |
| 33 | L | A | 0.0000 | |
| 34 | V | A | 0.4187 | |
| 35 | F | A | 0.0000 | |
| 36 | S | A | 0.0000 | |
| 37 | A | A | 0.0000 | |
| 38 | V | A | 0.1194 | |
| 39 | D | A | 0.0000 | |
| 40 | N | A | -1.2428 | |
| 41 | D | A | -1.9287 | |
| 42 | C | A | -0.4937 | |
| 43 | D | A | -2.0544 | |
| 44 | K | A | -2.0498 | |
| 45 | R | A | -0.8852 | |
| 46 | V | A | 0.0000 | |
| 47 | A | A | 0.0000 | |
| 48 | I | A | 0.0000 | |
| 49 | K | A | 0.0000 | |
| 50 | K | A | 0.0000 | |
| 51 | I | A | 0.0000 | |
| 52 | V | A | 1.0474 | |
| 53 | L | A | 0.0000 | |
| 54 | T | A | -0.1930 | |
| 55 | D | A | -0.7268 | |
| 56 | P | A | -0.5901 | |
| 57 | Q | A | -1.3168 | |
| 58 | S | A | -0.2698 | |
| 59 | V | A | 0.0543 | |
| 60 | K | A | -0.7761 | |
| 61 | H | A | -0.4486 | |
| 62 | A | A | 0.0000 | |
| 63 | L | A | 0.0000 | |
| 64 | R | A | 0.0000 | |
| 65 | E | A | 0.0000 | |
| 66 | I | A | 0.1454 | |
| 67 | K | A | -0.4007 | |
| 68 | I | A | 0.0000 | |
| 69 | I | A | 0.0000 | |
| 70 | R | A | -1.4596 | |
| 71 | R | A | -1.6511 | |
| 72 | L | A | 0.0000 | |
| 73 | D | A | -1.8085 | |
| 74 | H | A | -0.7500 | |
| 75 | D | A | -1.8084 | |
| 76 | N | A | 0.0000 | |
| 77 | I | A | 0.0000 | |
| 78 | V | A | 0.0000 | |
| 79 | K | A | -0.7234 | |
| 80 | V | A | 0.0000 | |
| 81 | F | A | 1.3763 | |
| 82 | E | A | 0.0000 | |
| 83 | I | A | 0.0000 | |
| 84 | L | A | 0.0000 | |
| 85 | G | A | 0.0000 | |
| 86 | P | A | -0.0879 | |
| 87 | S | A | -0.4097 | |
| 88 | G | A | -0.2644 | |
| 89 | S | A | -0.4099 | |
| 90 | Q | A | -1.1812 | |
| 91 | L | A | 0.0257 | |
| 92 | T | A | -0.3431 | |
| 93 | D | A | -2.1212 | |
| 94 | D | A | -2.0664 | |
| 95 | V | A | -0.1523 | |
| 96 | G | A | -0.3081 | |
| 97 | S | A | -0.1283 | |
| 98 | L | A | 0.0000 | |
| 99 | T | A | -0.3522 | |
| 100 | E | A | -1.7739 | |
| 101 | L | A | -0.2807 | |
| 102 | N | A | -1.2216 | |
| 103 | S | A | 0.0000 | |
| 104 | V | A | 0.0000 | |
| 105 | Y | A | 0.0000 | |
| 106 | I | A | 0.0000 | |
| 107 | V | A | 0.0000 | |
| 108 | Q | A | -0.1959 | |
| 109 | E | A | -0.1650 | |
| 110 | Y | A | 0.5172 | |
| 111 | M | A | -0.0727 | |
| 112 | E | A | -1.4926 | |
| 113 | T | A | -0.3335 | |
| 114 | D | A | -0.2014 | |
| 115 | L | A | 0.0000 | |
| 116 | A | A | -0.1837 | |
| 117 | N | A | -1.0731 | |
| 118 | V | A | -0.0281 | |
| 119 | L | A | 0.0000 | |
| 120 | E | A | -2.0342 | |
| 121 | Q | A | -1.5422 | |
| 122 | G | A | -0.3683 | |
| 123 | P | A | -0.2830 | |
| 124 | L | A | 0.0000 | |
| 125 | L | A | 1.4640 | |
| 126 | E | A | -0.5033 | |
| 127 | E | A | -1.9299 | |
| 128 | H | A | -0.4473 | |
| 129 | A | A | 0.0000 | |
| 130 | R | A | -0.2541 | |
| 131 | L | A | 0.2674 | |
| 132 | F | A | 0.0000 | |
| 133 | M | A | 0.0000 | |
| 134 | Y | A | 0.0000 | |
| 135 | Q | A | 0.0000 | |
| 136 | L | A | 0.0000 | |
| 137 | L | A | 0.0000 | |
| 138 | R | A | -0.1815 | |
| 139 | G | A | 0.0000 | |
| 140 | L | A | 0.0000 | |
| 141 | K | A | -0.1896 | |
| 142 | Y | A | 0.0000 | |
| 143 | I | A | 0.0000 | |
| 144 | H | A | 0.0000 | |
| 145 | S | A | -0.0446 | |
| 146 | A | A | 0.0000 | |
| 147 | N | A | -0.2695 | |
| 148 | V | A | 0.0000 | |
| 149 | L | A | 0.0000 | |
| 150 | H | A | 0.0000 | |
| 151 | R | A | 0.0000 | |
| 152 | D | A | -0.2950 | |
| 153 | L | A | 0.0000 | |
| 154 | K | A | -0.2093 | |
| 155 | P | A | 0.0000 | |
| 156 | A | A | 0.0330 | |
| 157 | N | A | 0.0000 | |
| 158 | L | A | 0.0000 | |
| 159 | F | A | 0.3263 | |
| 160 | I | A | 0.0000 | |
| 161 | N | A | -0.2991 | |
| 162 | T | A | 0.0000 | |
| 163 | E | A | -2.1417 | |
| 164 | D | A | -2.0640 | |
| 165 | L | A | 0.0469 | |
| 166 | V | A | 0.4155 | |
| 167 | L | A | 0.0000 | |
| 168 | K | A | -0.1809 | |
| 169 | I | A | 0.0000 | |
| 170 | G | A | 0.0000 | |
| 171 | D | A | -0.7694 | |
| 172 | F | A | 0.0000 | |
| 173 | G | A | -0.0155 | |
| 174 | L | A | 0.2842 | |
| 175 | A | A | 0.0000 | |
| 176 | R | A | 0.0000 | |
| 177 | I | A | 0.0000 | |
| 178 | M | A | 0.1161 | |
| 179 | D | A | -0.2531 | |
| 180 | P | A | -0.4736 | |
| 181 | H | A | -0.7987 | |
| 182 | Y | A | 1.0980 | |
| 183 | S | A | 0.0066 | |
| 184 | H | A | -0.4552 | |
| 185 | K | A | -1.8050 | |
| 186 | G | A | -0.9121 | |
| 187 | H | A | -0.8279 | |
| 188 | L | A | 0.0438 | |
| 189 | S | A | -0.4512 | |
| 190 | E | A | -1.9322 | |
| 191 | G | A | -0.5165 | |
| 192 | L | A | 1.5082 | |
| 193 | V | A | 0.5149 | |
| 194 | T | A | -0.0066 | |
| 195 | K | A | -0.1625 | |
| 196 | W | A | 0.0842 | |
| 197 | Y | A | 0.0000 | |
| 198 | R | A | -0.2046 | |
| 199 | S | A | 0.0000 | |
| 200 | P | A | 0.0000 | |
| 201 | R | A | -0.2655 | |
| 202 | L | A | 0.0000 | |
| 203 | L | A | 0.0000 | |
| 204 | L | A | 0.0000 | |
| 205 | S | A | -0.0344 | |
| 206 | P | A | -0.1794 | |
| 207 | N | A | -1.0011 | |
| 208 | N | A | -1.3802 | |
| 209 | Y | A | -0.0741 | |
| 210 | T | A | -0.0822 | |
| 211 | K | A | -0.5512 | |
| 212 | A | A | 0.0000 | |
| 213 | I | A | 0.0000 | |
| 214 | D | A | 0.0000 | |
| 215 | M | A | 0.0000 | |
| 216 | W | A | 0.0000 | |
| 217 | A | A | 0.0000 | |
| 218 | A | A | 0.0000 | |
| 219 | G | A | 0.0000 | |
| 220 | C | A | 0.0000 | |
| 221 | I | A | 0.0000 | |
| 222 | F | A | 0.0000 | |
| 223 | A | A | 0.0000 | |
| 224 | E | A | 0.0000 | |
| 225 | M | A | 0.0000 | |
| 226 | L | A | 0.1709 | |
| 227 | T | A | -0.0189 | |
| 228 | G | A | -0.2657 | |
| 229 | K | A | -0.9192 | |
| 230 | T | A | -0.1379 | |
| 231 | L | A | 0.1903 | |
| 232 | F | A | 0.0000 | |
| 233 | A | A | 0.0092 | |
| 234 | G | A | 0.0000 | |
| 235 | A | A | -0.0842 | |
| 236 | H | A | -0.5075 | |
| 237 | E | A | -0.6934 | |
| 238 | L | A | 0.0000 | |
| 239 | E | A | -0.7218 | |
| 240 | Q | A | 0.0000 | |
| 241 | M | A | 0.0000 | |
| 242 | Q | A | -0.2559 | |
| 243 | L | A | 0.3940 | |
| 244 | I | A | 0.0000 | |
| 245 | L | A | 0.0000 | |
| 246 | E | A | -1.0697 | |
| 247 | S | A | 0.0000 | |
| 248 | I | A | 0.0000 | |
| 249 | P | A | -0.0632 | |
| 250 | V | A | 0.0000 | |
| 251 | V | A | 1.6834 | |
| 252 | H | A | -0.4366 | |
| 253 | E | A | -1.8947 | |
| 254 | E | A | -2.0804 | |
| 255 | D | A | 0.0000 | |
| 256 | R | A | -0.5289 | |
| 257 | Q | A | -1.1399 | |
| 258 | E | A | -0.5399 | |
| 259 | L | A | 0.0000 | |
| 260 | L | A | 0.2184 | |
| 261 | S | A | -0.1086 | |
| 262 | V | A | 0.1360 | |
| 263 | I | A | 0.0000 | |
| 264 | P | A | 0.1343 | |
| 265 | V | A | 1.9074 | |
| 266 | Y | A | 1.3454 | |
| 267 | I | A | 0.1770 | |
| 268 | R | A | -1.2758 | |
| 269 | N | A | -1.7964 | |
| 270 | D | A | -2.0214 | |
| 271 | M | A | 0.0000 | |
| 272 | T | A | -0.4016 | |
| 273 | E | A | -1.8363 | |
| 274 | P | A | -0.5296 | |
| 275 | H | A | -1.1905 | |
| 276 | K | A | -1.2854 | |
| 277 | P | A | -0.2852 | |
| 278 | L | A | 0.0000 | |
| 279 | T | A | -0.2864 | |
| 280 | Q | A | -1.1433 | |
| 281 | L | A | 0.1617 | |
| 282 | L | A | 0.0000 | |
| 283 | P | A | -0.3391 | |
| 284 | G | A | -0.4609 | |
| 285 | I | A | 0.1920 | |
| 286 | S | A | -0.3428 | |
| 287 | R | A | -2.1864 | |
| 288 | E | A | -2.1556 | |
| 289 | A | A | 0.0000 | |
| 290 | L | A | 0.0000 | |
| 291 | D | A | -1.4680 | |
| 292 | F | A | 0.0000 | |
| 293 | L | A | 0.0000 | |
| 294 | E | A | -1.5796 | |
| 295 | Q | A | -0.7939 | |
| 296 | I | A | 0.0000 | |
| 297 | L | A | 0.0000 | |
| 298 | T | A | -0.0091 | |
| 299 | F | A | 0.0000 | |
| 300 | S | A | 0.0000 | |
| 301 | P | A | 0.0000 | |
| 302 | M | A | 0.8126 | |
| 303 | D | A | -1.1468 | |
| 304 | R | A | 0.0000 | |
| 305 | L | A | 0.1757 | |
| 306 | T | A | 0.0049 | |
| 307 | A | A | 0.0000 | |
| 308 | E | A | -1.4922 | |
| 309 | E | A | -1.6691 | |
| 310 | A | A | 0.0000 | |
| 311 | L | A | 0.0000 | |
| 312 | S | A | -0.2129 | |
| 313 | H | A | 0.0000 | |
| 314 | P | A | -0.2549 | |
| 315 | Y | A | 0.0000 | |
| 316 | M | A | 0.0000 | |
| 317 | S | A | 0.1471 | |
| 318 | I | A | 2.0275 | |
| 319 | Y | A | 0.6428 | |
| 320 | S | A | 0.3176 | |
| 321 | F | A | 1.7732 | |
| 322 | P | A | 0.2604 | |
| 323 | M | A | 0.7238 | |
| 324 | D | A | -1.3803 | |
| 325 | E | A | 0.0000 | |
| 326 | P | A | 0.2286 | |
| 327 | I | A | 1.9864 | |
| 328 | S | A | 0.0000 | |
| 329 | S | A | -0.3122 | |
| 330 | H | A | -0.6366 | |
| 331 | P | A | -0.3545 | |
| 332 | F | A | 0.0000 | |
| 333 | H | A | -0.9293 | |
| 334 | I | A | -0.2753 | |
| 335 | E | A | -1.8428 | |
| 336 | D | A | -0.9653 | |
| 337 | E | A | -0.2143 | |
| 338 | V | A | -0.1323 | |
| 339 | D | A | -1.7493 | |
| 340 | D | A | -0.3244 | |
| 341 | I | A | 0.7107 | |
| 342 | L | A | 1.7001 | |
| 343 | L | A | 1.2422 | |
| 344 | M | A | 0.0000 | |
| 345 | D | A | -2.1154 | |
| 346 | E | A | -2.1485 | |
| 347 | T | A | -0.4334 | |
| 348 | H | A | -0.4032 | |
| 349 | S | A | -0.4152 | |
| 350 | H | A | -0.6628 | |
| 351 | I | A | 2.0745 | |
| 352 | Y | A | 1.4409 | |
| 353 | N | A | -0.8047 | |
| 354 | W | A | 0.6127 | |
| 355 | E | A | -1.9475 | |
| 356 | R | A | -1.9438 | |
| 357 | Y | A | 0.7904 | |
| 358 | H | A | -1.0803 | |
| 359 | D | A | -1.8352 | |
| 360 | C | A | 0.1674 | |
| 361 | Q | A | -0.7059 | |
| 362 | F | A | 1.6801 | |
| 363 | S | A | -0.1905 | |
| 364 | E | A | -2.0511 | |
| 365 | H | A | -1.6699 | |
| 366 | D | A | -1.7559 | |
| 367 | W | A | 0.8154 | |
| 368 | P | A | 0.2841 | |
| 369 | V | A | 1.5440 | |
| 370 | H | A | -0.9038 | |
| 371 | N | A | -1.6921 | |
| 372 | N | A | -1.1093 | |
| 373 | F | A | 1.3495 | |
| 374 | D | A | -1.0559 | |
| 375 | I | A | 1.3464 | |
| 376 | D | A | -1.7374 | |
| 377 | E | A | -1.8038 | |
| 378 | V | A | 1.2108 | |
| 379 | Q | A | -0.5975 | |
| 380 | L | A | 1.1436 | |
| 381 | D | A | -0.8308 | |
| 382 | P | A | -0.7699 | |
| 383 | R | A | -1.8790 | |
| 384 | A | A | -0.0006 | |
| 385 | L | A | 1.5192 | |
| 386 | S | A | -0.2528 | |
| 387 | D | A | -1.5063 | |
| 388 | V | A | 1.4349 | |
| 389 | T | A | -0.0626 | |
| 390 | D | A | -2.1420 | |
| 391 | E | A | -2.4887 | |
| 392 | E | A | -2.4863 | |
| 393 | E | A | -1.8273 | |
| 394 | V | A | 1.4021 | |
| 395 | Q | A | 0.4342 | |
| 396 | V | A | 1.7354 | |
| 397 | D | A | 0.0000 | |
| 398 | P | A | -0.2884 | |
| 399 | R | A | -0.5364 | |
| 400 | K | A | -1.4982 | |
| 401 | Y | A | 1.1798 | |
| 402 | L | A | 0.8630 | |
| 403 | D | A | -1.7030 | |
| 404 | G | A | -1.1059 | |
| 405 | D | A | -2.2064 | |
| 406 | R | A | -2.5030 | |
| 407 | E | A | -2.4723 | |
| 408 | K | A | -1.7872 | |
| 409 | Y | A | 1.2814 | |
| 410 | L | A | 1.4536 | |
| 411 | E | A | -1.8593 | |
| 412 | D | A | -2.1660 | |
| 413 | P | A | -0.5624 | |
| 414 | A | A | 0.3670 | |
| 415 | F | A | 1.6146 | |
| 416 | D | A | -1.4365 | |
| 417 | T | A | -0.6484 | |
| 418 | N | A | -1.0365 | |
| 419 | Y | A | 1.0338 | |
| 420 | S | A | 0.0149 | |
| 421 | T | A | -0.4377 | |
| 422 | E | A | -1.8812 | |
| 423 | P | A | -0.4664 | |
| 424 | C | A | 0.9006 | |
| 425 | W | A | 1.0995 | |
| 426 | Q | A | -0.7321 | |
| 427 | Y | A | 1.0505 | |
| 428 | S | A | -0.3490 | |
| 429 | D | A | -2.0157 | |
| 430 | H | A | -1.5007 | |
| 431 | H | A | -1.5074 | |
| 432 | E | A | -2.2324 | |
| 433 | N | A | -1.9146 | |
| 434 | K | A | -1.6902 | |
| 435 | Y | A | 1.1343 | |
| 436 | C | A | 0.6435 | |
| 437 | D | A | -1.3711 | |
| 438 | L | A | 0.8871 | |
| 439 | E | A | -1.4043 | |
| 440 | C | A | 0.3624 | |
| 441 | S | A | -0.2597 | |
| 442 | H | A | -1.0416 | |
| 443 | T | A | -0.1196 | |
| 444 | C | A | 0.4862 | |
| 445 | N | A | -0.9001 | |
| 446 | Y | A | 0.7701 | |
| 447 | K | A | -1.4705 | |
| 448 | T | A | -0.7264 | |
| 449 | R | A | -1.8967 | |
| 450 | S | A | -0.5936 | |
| 451 | S | A | -0.2903 | |
| 452 | S | A | -0.0113 | |
| 453 | Y | A | 1.5516 | |
| 454 | L | A | 1.4623 | |
| 455 | D | A | -1.7399 | |
| 456 | N | A | -1.3146 | |
| 457 | L | A | 1.6362 | |
| 458 | V | A | 2.2582 | |
| 459 | W | A | 1.1582 | |
| 460 | R | A | -1.9632 | |
| 461 | E | A | -2.1918 | |
| 462 | S | A | -0.8195 | |
| 463 | E | A | -1.5226 | |
| 464 | V | A | 1.2057 | |
| 465 | N | A | -1.1293 | |
| 466 | H | A | -0.9804 | |
| 467 | Y | A | 1.3727 | |
| 468 | Y | A | 1.2261 | |
| 469 | E | A | -1.6279 | |
| 470 | P | A | -0.8887 | |
| 471 | K | A | -1.6375 | |
| 472 | L | A | 0.6569 | |
| 473 | I | A | 2.1795 | |
| 474 | I | A | 0.3632 | |
| 475 | D | A | -1.6614 | |
| 476 | L | A | 0.0316 | |
| 477 | S | A | -0.3588 | |
| 478 | N | A | -1.2017 | |
| 479 | W | A | 0.0703 | |
| 480 | K | A | -1.9170 | |
| 481 | E | A | -2.3379 | |
| 482 | Q | A | -1.5611 | |
| 483 | S | A | -0.7286 | |
| 484 | K | A | -2.0760 | |
| 485 | E | A | -2.4450 | |
| 486 | K | A | -2.0705 | |
| 487 | S | A | -0.8636 | |
| 488 | D | A | -2.1608 | |
| 489 | K | A | -2.3571 | |
| 490 | K | A | -2.0931 | |
| 491 | G | A | -1.0656 | |
| 492 | K | A | -1.6889 | |
| 493 | S | A | -0.6770 | |
| 494 | K | A | -1.5837 | |
| 495 | C | A | 0.1028 | |
| 496 | E | A | -2.0199 | |
| 497 | R | A | -2.3764 | |
| 498 | N | A | -1.5294 | |
| 499 | G | A | -0.2534 | |
| 500 | L | A | 1.7133 | |
| 501 | V | A | 1.2043 | |
| 502 | K | A | -1.4731 | |
| 503 | A | A | -0.2978 | |
| 504 | Q | A | -0.5772 | |
| 505 | I | A | 1.3526 | |
| 506 | A | A | 0.5985 | |
| 507 | L | A | 1.1234 | |
| 508 | E | A | -1.8910 | |
| 509 | E | A | -2.2588 | |
| 510 | A | A | -0.3203 | |
| 511 | S | A | -0.6043 | |
| 512 | Q | A | -1.6329 | |
| 513 | Q | A | -1.1406 | |
| 514 | L | A | 1.3351 | |
| 515 | A | A | 0.1616 | |
| 516 | G | A | -0.4842 | |
| 517 | K | A | -2.0372 | |
| 518 | E | A | -2.4509 | |
| 519 | R | A | -2.4914 | |
| 520 | E | A | -2.4629 | |
| 521 | K | A | -2.2698 | |
| 522 | N | A | -1.8127 | |
| 523 | Q | A | -1.5245 | |
| 524 | G | A | -0.3296 | |
| 525 | F | A | 1.5326 | |
| 526 | D | A | -1.0865 | |
| 527 | F | A | 1.2953 | |
| 528 | D | A | -1.4795 | |
| 529 | S | A | -0.2632 | |
| 530 | F | A | 1.5890 | |
| 531 | I | A | 1.0943 | |
| 532 | A | A | 0.1597 | |
| 533 | G | A | -0.2521 | |
| 534 | T | A | 0.2774 | |
| 535 | I | A | 1.7901 | |
| 536 | Q | A | -0.5578 | |
| 537 | L | A | 1.2949 | |
| 538 | S | A | 0.0297 | |
| 539 | S | A | -0.4332 | |
| 540 | Q | A | -1.4083 | |
| 541 | H | A | -1.5293 | |
| 542 | E | A | -2.0421 | |
| 543 | P | A | -0.5945 | |
| 544 | T | A | -0.4334 | |
| 545 | D | A | -1.6449 | |
| 546 | V | A | 0.7444 | |
| 547 | V | A | 0.8450 | |
| 548 | D | A | -1.8971 | |
| 549 | K | A | -1.7862 | |
| 550 | L | A | 0.4952 | |
| 551 | N | A | -1.5701 | |
| 552 | D | A | -1.7386 | |
| 553 | L | A | 1.0852 | |
| 554 | N | A | -1.0650 | |
| 555 | S | A | -0.4720 | |
| 556 | S | A | -0.0266 | |
| 557 | V | A | 0.7795 | |
| 558 | S | A | -0.1767 | |
| 559 | Q | A | -0.9444 | |
| 560 | L | A | 1.0056 | |
| 561 | E | A | -1.2649 | |
| 562 | L | A | 0.9188 | |
| 563 | K | A | -1.4620 | |
| 564 | S | A | -0.2441 | |
| 565 | L | A | 1.8744 | |
| 566 | I | A | 2.2536 | |
| 567 | S | A | -0.1553 | |
| 568 | K | A | -1.7782 | |
| 569 | S | A | -0.2105 | |
| 570 | V | A | 1.6969 | |
| 571 | S | A | -0.0175 | |
| 572 | Q | A | -1.0410 | |
| 573 | E | A | -2.2452 | |
| 574 | K | A | -2.2362 | |
| 575 | Q | A | -1.7938 | |
| 576 | E | A | -2.3289 | |
| 577 | K | A | -2.0713 | |
| 578 | G | A | -0.4240 | |
| 579 | M | A | 0.9439 | |
| 580 | A | A | -0.0220 | |
| 581 | N | A | -0.9998 | |
| 582 | L | A | 1.3278 | |
| 583 | A | A | 0.1218 | |
| 584 | Q | A | -0.9232 | |
| 585 | L | A | 0.4494 | |
| 586 | E | A | -1.6354 | |
| 587 | A | A | 0.0084 | |
| 588 | L | A | 1.7919 | |
| 589 | Y | A | 1.3760 | |
| 590 | Q | A | -1.0052 | |
| 591 | S | A | -0.4917 | |
| 592 | S | A | -0.0277 | |
| 593 | W | A | 0.8212 | |
| 594 | D | A | -1.6050 | |
| 595 | S | A | -0.7343 | |
| 596 | Q | A | -0.8705 | |
| 597 | F | A | 2.0455 | |
| 598 | V | A | 2.0913 | |
| 599 | S | A | 0.0285 | |
| 600 | G | A | -0.6238 | |
| 601 | G | A | -0.9259 | |
| 602 | E | A | -2.2453 | |
| 603 | D | A | -1.9904 | |
| 604 | C | A | 0.7347 | |
| 605 | F | A | 2.4351 | |
| 606 | F | A | 2.6943 | |
| 607 | I | A | 2.1606 | |
| 608 | N | A | -1.1305 | |
| 609 | Q | A | -1.0832 | |
| 610 | F | A | 1.8759 | |
| 611 | C | A | 0.8018 | |
| 612 | E | A | -1.3641 | |
| 613 | V | A | 1.1043 | |
| 614 | R | A | -1.8327 | |
| 615 | K | A | -2.3730 | |
| 616 | D | A | -2.4403 | |
| 617 | E | A | -2.3668 | |
| 618 | Q | A | -1.2022 | |
| 619 | V | A | 1.2198 | |
| 620 | E | A | -1.8118 | |
| 621 | K | A | -2.3697 | |
| 622 | E | A | -2.3628 | |
| 623 | N | A | -1.6171 | |
| 624 | T | A | -0.0668 | |
| 625 | Y | A | 1.2941 | |
| 626 | T | A | 0.1717 | |
| 627 | S | A | -0.0195 | |
| 628 | Y | A | 0.6052 | |
| 629 | L | A | 0.2884 | |
| 630 | D | A | -1.4079 | |
| 631 | K | A | -1.6580 | |
| 632 | F | A | 0.3553 | |
| 633 | F | A | 0.8471 | |
| 634 | S | A | -0.4013 | |
| 635 | R | A | -2.1935 | |
| 636 | K | A | -2.3763 | |
| 637 | E | A | -2.4682 | |
| 638 | D | A | -2.1400 | |
| 639 | T | A | -0.7336 | |
| 640 | E | A | -1.6392 | |
| 641 | M | A | 1.0014 | |
| 642 | L | A | 1.4114 | |
| 643 | E | A | -1.5532 | |
| 644 | T | A | -0.7304 | |
| 645 | E | A | -1.8781 | |
| 646 | P | A | -0.2591 | |
| 647 | V | A | 1.3945 | |
| 648 | E | A | -1.8240 | |
| 649 | D | A | -2.2080 | |
| 650 | G | A | -1.0990 | |
| 651 | K | A | -1.5019 | |
| 652 | L | A | 1.1232 | |
| 653 | G | A | -0.4159 | |
| 654 | E | A | -2.2461 | |
| 655 | R | A | -2.2689 | |
| 656 | G | A | -0.9959 | |
| 657 | H | A | -1.4369 | |
| 658 | E | A | -2.3486 | |
| 659 | E | A | -2.2373 | |
| 660 | G | A | -0.4391 | |
| 661 | F | A | 2.1396 | |
| 662 | L | A | 1.6711 | |
| 663 | N | A | -1.2238 | |
| 664 | N | A | -1.5478 | |
| 665 | S | A | -0.5359 | |
| 666 | G | A | -0.8405 | |
| 667 | E | A | -1.5479 | |
| 668 | F | A | 1.8894 | |
| 669 | L | A | 2.2563 | |
| 670 | F | A | 1.9893 | |
| 671 | N | A | -1.2409 | |
| 672 | K | A | -2.1637 | |
| 673 | Q | A | -1.2239 | |
| 674 | L | A | 0.9864 | |
| 675 | E | A | -1.5721 | |
| 676 | S | A | -0.1828 | |
| 677 | I | A | 1.8884 | |
| 678 | G | A | 0.2680 | |
| 679 | I | A | 1.8826 | |
| 680 | P | A | -0.1180 | |
| 681 | Q | A | -0.9024 | |
| 682 | F | A | 1.5471 | |
| 683 | H | A | -0.6731 | |
| 684 | S | A | -0.4464 | |
| 685 | P | A | 0.0325 | |
| 686 | V | A | 1.6411 | |
| 687 | G | A | -0.1823 | |
| 688 | S | A | -0.3427 | |
| 689 | P | A | -0.0115 | |
| 690 | L | A | 1.1903 | |
| 691 | K | A | -1.4566 | |
| 692 | S | A | -0.1690 | |
| 693 | I | A | 1.7628 | |
| 694 | Q | A | -0.8326 | |
| 695 | A | A | -0.1658 | |
| 696 | T | A | 0.2208 | |
| 697 | L | A | 1.5219 | |
| 698 | T | A | 0.1659 | |
| 699 | P | A | -0.3064 | |
| 700 | S | A | -0.2486 | |
| 701 | A | A | 0.2099 | |
| 702 | M | A | 0.7545 | |
| 703 | K | A | -1.5470 | |
| 704 | S | A | -0.5606 | |
| 705 | S | A | -0.2972 | |
| 706 | P | A | -0.5101 | |
| 707 | Q | A | -0.8798 | |
| 708 | I | A | 1.7500 | |
| 709 | P | A | -0.0749 | |
| 710 | H | A | -1.2489 | |
| 711 | Q | A | -1.3783 | |
| 712 | T | A | -0.0752 | |
| 713 | Y | A | 0.8846 | |
| 714 | S | A | 0.0278 | |
| 715 | S | A | 0.1278 | |
| 716 | I | A | 1.9192 | |
| 717 | L | A | 1.5427 | |
| 718 | K | A | -1.6006 | |
| 719 | H | A | -1.0189 | |
| 720 | L | A | 1.1416 | |
| 721 | N | A | -0.9945 |
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 | -0.11 | 5.5407 | View | CSV | PDB |
| 4.5 | -0.164 | 5.5407 | View | CSV | PDB |
| 5.0 | -0.2318 | 5.5407 | View | CSV | PDB |
| 5.5 | -0.3012 | 5.5407 | View | CSV | PDB |
| 6.0 | -0.3596 | 5.5407 | View | CSV | PDB |
| 6.5 | -0.3987 | 5.5407 | View | CSV | PDB |
| 7.0 | -0.4188 | 5.5407 | View | CSV | PDB |
| 7.5 | -0.4264 | 5.5407 | View | CSV | PDB |
| 8.0 | -0.4273 | 5.5407 | View | CSV | PDB |
| 8.5 | -0.4229 | 5.5407 | View | CSV | PDB |
| 9.0 | -0.4119 | 5.5407 | 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