| Chain sequence(s) |
A: MAEKFESLMNIHGFDLGSRYMDLKPLGCGGNGLVFSAVDNDCDKRVAIKKIVLTDPQSVKHALREIKIIRRLDHDNIVKVFEILGPSGSQLTDDVGSLTELNSVYIVQEYMETDLANVLEQGPLLEEHARLFMYQLLRGLKYIHSANVLHRDLKPANLFINTEDLVLKIGDFGLARIMDPHYSHKGHLSEGLVTKWYRSPRLLLSPNNYTKAIDMWAAGCIFAEMLTGKTLFAGAHELEQMQLILESIPVVHEEDRQELLSVIPVYIRNDMTEPHKPLTQLLPGISREALDFLEQILTFSPMDRLTAEEALSHPYMSIYSFPMDEPISSHPFHIEDEVDDILLMDETHSHIYNWERYHDCQFSEHDWPVHNNFDIDEVQLDPRALSDVTDEEEVQVDPRKYLDGDREKYLEDPAFDTNYSTEPCWQYSDHHENKYCDLECSHTCNYKTRSSSYLDNLVWRESEVNHYYEPKLIIDLSNWKEQSKEKSDKKGKSKCERNGLVKAQIALEEASQQLAGKEREKNQGFDFDSFIAGTIQLSSQHEPTDVVDKLNDLNSSVSQLELKSLISKSVSQEKQEKGMANLAQLEALYQSSWDSQFVSGGEDCFFINQFCEVRKDEQVEKENTYTSYLDKFFSRKEDTEMLETEPVEDGKLGERGHEEGFLNNSGEFLFNKQLESIGIPQFHSPVGSPLKSIQATLTPSAMKSSPQIPHQTYSSILKHLN
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 partially or entirely disordered. Average score is
recommended for pH analysis. (00:00:05)
[INFO] FoldX: Starting FoldX energy minimization (00:00:05)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:13:50)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/b72fda67c79ea88/tmp/folded.pdb (00:13:50)
[INFO] Main: Simulation completed successfully. (00:19:41)
|
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 | -0.2328 | |
| 2 | A | A | -1.3630 | |
| 3 | E | A | -2.7844 | |
| 4 | K | A | -2.5304 | |
| 5 | F | A | -1.7111 | |
| 6 | E | A | -2.7895 | |
| 7 | S | A | -1.6070 | |
| 8 | L | A | -0.7416 | |
| 9 | M | A | -0.9973 | |
| 10 | N | A | -0.7926 | |
| 11 | I | A | 1.0218 | |
| 12 | H | A | 0.0257 | |
| 13 | G | A | -0.4776 | |
| 14 | F | A | -0.5139 | |
| 15 | D | A | -1.3386 | |
| 16 | L | A | 0.0000 | |
| 17 | G | A | -1.0580 | |
| 18 | S | A | -0.8733 | |
| 19 | R | A | -1.3430 | |
| 20 | Y | A | 0.0000 | |
| 21 | M | A | -0.0741 | |
| 22 | D | A | -0.7936 | |
| 23 | L | A | -0.2849 | |
| 24 | K | A | -1.2443 | |
| 25 | P | A | -0.2945 | |
| 26 | L | A | 0.5943 | |
| 27 | G | A | 0.4505 | |
| 28 | C | A | 0.4586 | |
| 29 | G | A | -0.6031 | |
| 30 | G | A | -0.6720 | |
| 31 | N | A | -0.9766 | |
| 32 | G | A | -0.3179 | |
| 33 | L | A | 0.0000 | |
| 34 | V | A | 0.4507 | |
| 35 | F | A | 0.0000 | |
| 36 | S | A | 0.0000 | |
| 37 | A | A | 0.0000 | |
| 38 | V | A | -1.6041 | |
| 39 | D | A | 0.0000 | |
| 40 | N | A | -2.8448 | |
| 41 | D | A | -3.0236 | |
| 42 | C | A | -2.6594 | |
| 43 | D | A | -3.3906 | |
| 44 | K | A | -3.0802 | |
| 45 | R | A | -1.6794 | |
| 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 | 0.4632 | |
| 53 | L | A | 0.0000 | |
| 54 | T | A | -0.5636 | |
| 55 | D | A | -1.3041 | |
| 56 | P | A | -1.2914 | |
| 57 | Q | A | -1.9055 | |
| 58 | S | A | -1.0928 | |
| 59 | V | A | -0.8910 | |
| 60 | K | A | -1.2527 | |
| 61 | H | A | -1.0018 | |
| 62 | A | A | 0.0000 | |
| 63 | L | A | 0.0000 | |
| 64 | R | A | 0.0000 | |
| 65 | E | A | 0.0000 | |
| 66 | I | A | -0.6265 | |
| 67 | K | A | -1.3701 | |
| 68 | I | A | 0.0000 | |
| 69 | I | A | 0.0000 | |
| 70 | R | A | -2.1821 | |
| 71 | R | A | -2.7432 | |
| 72 | L | A | 0.0000 | |
| 73 | D | A | -2.9713 | |
| 74 | H | A | -1.9495 | |
| 75 | D | A | -2.3362 | |
| 76 | N | A | 0.0000 | |
| 77 | I | A | 0.0000 | |
| 78 | V | A | 0.0000 | |
| 79 | K | A | -1.5114 | |
| 80 | V | A | 0.0000 | |
| 81 | F | A | 0.9067 | |
| 82 | E | A | 0.0000 | |
| 83 | I | A | 0.0000 | |
| 84 | L | A | 0.0000 | |
| 85 | G | A | 0.0000 | |
| 86 | P | A | -0.9373 | |
| 87 | S | A | -1.0530 | |
| 88 | G | A | -1.1449 | |
| 89 | S | A | -1.0303 | |
| 90 | Q | A | -1.4417 | |
| 91 | L | A | -1.1556 | |
| 92 | T | A | -1.7191 | |
| 93 | D | A | -2.7918 | |
| 94 | D | A | -2.6637 | |
| 95 | V | A | -1.3436 | |
| 96 | G | A | -1.2622 | |
| 97 | S | A | -1.3755 | |
| 98 | L | A | 0.0000 | |
| 99 | T | A | -1.2862 | |
| 100 | E | A | -2.0493 | |
| 101 | L | A | -1.1362 | |
| 102 | N | A | -1.3664 | |
| 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 | 0.0481 | |
| 109 | E | A | -0.4274 | |
| 110 | Y | A | -0.2865 | |
| 111 | M | A | -0.5391 | |
| 112 | E | A | -1.5895 | |
| 113 | T | A | -0.8483 | |
| 114 | D | A | -0.7465 | |
| 115 | L | A | 0.0000 | |
| 116 | A | A | -1.1328 | |
| 117 | N | A | -1.9317 | |
| 118 | V | A | -1.3401 | |
| 119 | L | A | 0.0000 | |
| 120 | E | A | -2.9794 | |
| 121 | Q | A | -2.2430 | |
| 122 | G | A | -1.3780 | |
| 123 | P | A | -0.6501 | |
| 124 | L | A | 0.0000 | |
| 125 | L | A | 0.6191 | |
| 126 | E | A | -0.6255 | |
| 127 | E | A | -1.6249 | |
| 128 | H | A | -0.6161 | |
| 129 | A | A | 0.0000 | |
| 130 | R | A | -0.4472 | |
| 131 | L | A | -0.0300 | |
| 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 | -0.7438 | |
| 139 | G | A | 0.0000 | |
| 140 | L | A | 0.0000 | |
| 141 | K | A | -0.4004 | |
| 142 | Y | A | 0.0000 | |
| 143 | I | A | 0.0000 | |
| 144 | H | A | 0.0000 | |
| 145 | S | A | 0.0526 | |
| 146 | A | A | 0.0000 | |
| 147 | N | A | -0.6785 | |
| 148 | V | A | 0.0000 | |
| 149 | L | A | 0.0000 | |
| 150 | H | A | 0.0000 | |
| 151 | R | A | 0.0000 | |
| 152 | D | A | -0.4281 | |
| 153 | L | A | 0.0000 | |
| 154 | K | A | -0.3288 | |
| 155 | P | A | 0.0000 | |
| 156 | A | A | -0.3514 | |
| 157 | N | A | 0.0000 | |
| 158 | L | A | 0.0000 | |
| 159 | F | A | -0.1831 | |
| 160 | I | A | 0.0000 | |
| 161 | N | A | -1.5472 | |
| 162 | T | A | 0.0000 | |
| 163 | E | A | -2.6693 | |
| 164 | D | A | -2.4946 | |
| 165 | L | A | -0.9779 | |
| 166 | V | A | -0.6618 | |
| 167 | L | A | 0.0000 | |
| 168 | K | A | -0.5311 | |
| 169 | I | A | 0.0000 | |
| 170 | G | A | 0.0000 | |
| 171 | D | A | -0.8416 | |
| 172 | F | A | 0.0000 | |
| 173 | G | A | -0.4089 | |
| 174 | L | A | -0.1662 | |
| 175 | A | A | 0.0000 | |
| 176 | R | A | 0.0000 | |
| 177 | I | A | 0.0000 | |
| 178 | M | A | -0.2504 | |
| 179 | D | A | -0.3487 | |
| 180 | P | A | -0.5688 | |
| 181 | H | A | -0.5718 | |
| 182 | Y | A | 0.2994 | |
| 183 | S | A | -0.9334 | |
| 184 | H | A | -1.4559 | |
| 185 | K | A | -2.4513 | |
| 186 | G | A | -2.0299 | |
| 187 | H | A | -1.8771 | |
| 188 | L | A | -1.0962 | |
| 189 | S | A | -0.8887 | |
| 190 | E | A | -2.0538 | |
| 191 | G | A | -1.5912 | |
| 192 | L | A | 0.3288 | |
| 193 | V | A | 0.2834 | |
| 194 | T | A | 0.1249 | |
| 195 | K | A | -0.4922 | |
| 196 | W | A | -0.1577 | |
| 197 | Y | A | 0.0000 | |
| 198 | R | A | -0.3941 | |
| 199 | S | A | 0.0000 | |
| 200 | P | A | 0.0000 | |
| 201 | R | A | -0.6549 | |
| 202 | L | A | 0.0000 | |
| 203 | L | A | 0.0000 | |
| 204 | L | A | 0.0000 | |
| 205 | S | A | -0.3461 | |
| 206 | P | A | -0.8279 | |
| 207 | N | A | -1.7342 | |
| 208 | N | A | -1.9299 | |
| 209 | Y | A | -0.9351 | |
| 210 | T | A | -0.5714 | |
| 211 | K | A | -0.5487 | |
| 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 | -0.1411 | |
| 227 | T | A | -0.2148 | |
| 228 | G | A | -1.3370 | |
| 229 | K | A | -1.3669 | |
| 230 | T | A | -0.7403 | |
| 231 | L | A | -0.1100 | |
| 232 | F | A | 0.0000 | |
| 233 | A | A | -0.1463 | |
| 234 | G | A | 0.0000 | |
| 235 | A | A | -0.0528 | |
| 236 | H | A | -1.1493 | |
| 237 | E | A | -1.2575 | |
| 238 | L | A | 0.0000 | |
| 239 | E | A | -0.9903 | |
| 240 | Q | A | 0.0000 | |
| 241 | M | A | 0.0000 | |
| 242 | Q | A | -0.4811 | |
| 243 | L | A | -0.3391 | |
| 244 | I | A | 0.0000 | |
| 245 | L | A | 0.0000 | |
| 246 | E | A | -1.8160 | |
| 247 | S | A | 0.0000 | |
| 248 | I | A | 0.0000 | |
| 249 | P | A | -0.9565 | |
| 250 | V | A | 0.0000 | |
| 251 | V | A | 0.2605 | |
| 252 | H | A | -1.1245 | |
| 253 | E | A | -2.7651 | |
| 254 | E | A | -2.9331 | |
| 255 | D | A | 0.0000 | |
| 256 | R | A | -2.2238 | |
| 257 | Q | A | -2.3203 | |
| 258 | E | A | -1.4762 | |
| 259 | L | A | 0.0000 | |
| 260 | L | A | -0.2527 | |
| 261 | S | A | -0.1419 | |
| 262 | V | A | 0.5410 | |
| 263 | I | A | 0.0000 | |
| 264 | P | A | 0.7871 | |
| 265 | V | A | 2.0952 | |
| 266 | Y | A | 1.5307 | |
| 267 | I | A | -0.0898 | |
| 268 | R | A | -1.7061 | |
| 269 | N | A | -2.6136 | |
| 270 | D | A | -3.1079 | |
| 271 | M | A | 0.0000 | |
| 272 | T | A | -1.5195 | |
| 273 | E | A | -2.5543 | |
| 274 | P | A | -2.3579 | |
| 275 | H | A | -2.4940 | |
| 276 | K | A | -2.4010 | |
| 277 | P | A | -1.8899 | |
| 278 | L | A | 0.0000 | |
| 279 | T | A | -1.3935 | |
| 280 | Q | A | -1.6246 | |
| 281 | L | A | -0.5483 | |
| 282 | L | A | 0.0000 | |
| 283 | P | A | -0.6523 | |
| 284 | G | A | -0.8009 | |
| 285 | I | A | -0.7721 | |
| 286 | S | A | -1.8080 | |
| 287 | R | A | -3.1565 | |
| 288 | E | A | -3.4098 | |
| 289 | A | A | 0.0000 | |
| 290 | L | A | 0.0000 | |
| 291 | D | A | -3.3110 | |
| 292 | F | A | 0.0000 | |
| 293 | L | A | 0.0000 | |
| 294 | E | A | -2.4487 | |
| 295 | Q | A | -1.8349 | |
| 296 | I | A | 0.0000 | |
| 297 | L | A | 0.0000 | |
| 298 | T | A | -0.4560 | |
| 299 | F | A | 0.0000 | |
| 300 | S | A | 0.0000 | |
| 301 | P | A | 0.0000 | |
| 302 | M | A | 0.4322 | |
| 303 | D | A | -0.7095 | |
| 304 | R | A | 0.0000 | |
| 305 | L | A | -1.0149 | |
| 306 | T | A | -1.0845 | |
| 307 | A | A | 0.0000 | |
| 308 | E | A | -1.8578 | |
| 309 | E | A | -2.0929 | |
| 310 | A | A | 0.0000 | |
| 311 | L | A | 0.0000 | |
| 312 | S | A | -0.9123 | |
| 313 | H | A | 0.0000 | |
| 314 | P | A | -0.6004 | |
| 315 | Y | A | 0.0000 | |
| 316 | M | A | 0.0000 | |
| 317 | S | A | 0.9659 | |
| 318 | I | A | 2.2505 | |
| 319 | Y | A | 1.6018 | |
| 320 | S | A | 1.1739 | |
| 321 | F | A | 1.7772 | |
| 322 | P | A | 0.3992 | |
| 323 | M | A | 0.6920 | |
| 324 | D | A | -0.4177 | |
| 325 | E | A | 0.0000 | |
| 326 | P | A | 0.6448 | |
| 327 | I | A | 1.3772 | |
| 328 | S | A | 0.0000 | |
| 329 | S | A | -0.0486 | |
| 330 | H | A | -0.8873 | |
| 331 | P | A | -0.8083 | |
| 332 | F | A | 0.0000 | |
| 333 | H | A | -1.8351 | |
| 334 | I | A | -1.5264 | |
| 335 | E | A | -2.7562 | |
| 336 | D | A | -2.2213 | |
| 337 | E | A | -1.5637 | |
| 338 | V | A | -0.8837 | |
| 339 | D | A | -1.6283 | |
| 340 | D | A | -0.7789 | |
| 341 | I | A | -0.0993 | |
| 342 | L | A | 0.5678 | |
| 343 | L | A | 0.1883 | |
| 344 | M | A | 0.0000 | |
| 345 | D | A | -2.0609 | |
| 346 | E | A | -2.0970 | |
| 347 | T | A | -1.1073 | |
| 348 | H | A | -1.0198 | |
| 349 | S | A | -0.9731 | |
| 350 | H | A | -0.6073 | |
| 351 | I | A | 1.5796 | |
| 352 | Y | A | 1.2936 | |
| 353 | N | A | -0.6722 | |
| 354 | W | A | -0.1192 | |
| 355 | E | A | -2.1136 | |
| 356 | R | A | -2.4943 | |
| 357 | Y | A | -0.7087 | |
| 358 | H | A | -2.0419 | |
| 359 | D | A | -1.9286 | |
| 360 | C | A | -0.2022 | |
| 361 | Q | A | -0.7927 | |
| 362 | F | A | 0.7168 | |
| 363 | S | A | -0.7854 | |
| 364 | E | A | -2.4265 | |
| 365 | H | A | -2.3230 | |
| 366 | D | A | -2.0090 | |
| 367 | W | A | 0.0801 | |
| 368 | P | A | 0.1482 | |
| 369 | V | A | 0.7842 | |
| 370 | H | A | -0.7237 | |
| 371 | N | A | -1.5280 | |
| 372 | N | A | -1.1428 | |
| 373 | F | A | 0.2351 | |
| 374 | D | A | -0.7974 | |
| 375 | I | A | 0.4070 | |
| 376 | D | A | -1.6072 | |
| 377 | E | A | -1.6844 | |
| 378 | V | A | 0.4563 | |
| 379 | Q | A | -0.6788 | |
| 380 | L | A | 0.3344 | |
| 381 | D | A | -0.8918 | |
| 382 | P | A | -1.0376 | |
| 383 | R | A | -1.8014 | |
| 384 | A | A | -0.3287 | |
| 385 | L | A | 0.4222 | |
| 386 | S | A | -0.2770 | |
| 387 | D | A | -1.0538 | |
| 388 | V | A | 0.1897 | |
| 389 | T | A | -1.4630 | |
| 390 | D | A | -3.3448 | |
| 391 | E | A | -3.6329 | |
| 392 | E | A | -3.8471 | |
| 393 | E | A | -2.3838 | |
| 394 | V | A | 0.3118 | |
| 395 | Q | A | 0.8007 | |
| 396 | V | A | 1.6612 | |
| 397 | D | A | 0.0000 | |
| 398 | P | A | -0.2723 | |
| 399 | R | A | -1.0232 | |
| 400 | K | A | -1.2168 | |
| 401 | Y | A | 0.0517 | |
| 402 | L | A | -0.7287 | |
| 403 | D | A | -2.1514 | |
| 404 | G | A | -2.4443 | |
| 405 | D | A | -3.8035 | |
| 406 | R | A | -4.1253 | |
| 407 | E | A | -3.5524 | |
| 408 | K | A | -2.5441 | |
| 409 | Y | A | -0.2840 | |
| 410 | L | A | -0.0132 | |
| 411 | E | A | -1.9054 | |
| 412 | D | A | -1.8951 | |
| 413 | P | A | -1.2035 | |
| 414 | A | A | -0.3742 | |
| 415 | F | A | 0.6060 | |
| 416 | D | A | -1.1497 | |
| 417 | T | A | -0.8634 | |
| 418 | N | A | -0.8708 | |
| 419 | Y | A | 0.3423 | |
| 420 | S | A | -0.4566 | |
| 421 | T | A | -0.8707 | |
| 422 | E | A | -1.6100 | |
| 423 | P | A | -0.6888 | |
| 424 | C | A | 0.6316 | |
| 425 | W | A | 1.0282 | |
| 426 | Q | A | 0.1400 | |
| 427 | Y | A | 0.6047 | |
| 428 | S | A | -1.1117 | |
| 429 | D | A | -2.5305 | |
| 430 | H | A | -3.0197 | |
| 431 | H | A | -3.3899 | |
| 432 | E | A | -3.6567 | |
| 433 | N | A | -2.9288 | |
| 434 | K | A | -2.3006 | |
| 435 | Y | A | 0.0578 | |
| 436 | C | A | 0.0569 | |
| 437 | D | A | -1.0180 | |
| 438 | L | A | 0.3470 | |
| 439 | E | A | -1.3386 | |
| 440 | C | A | -0.3514 | |
| 441 | S | A | -0.6014 | |
| 442 | H | A | -1.0987 | |
| 443 | T | A | -0.3486 | |
| 444 | C | A | -0.0834 | |
| 445 | N | A | -0.9444 | |
| 446 | Y | A | -0.2014 | |
| 447 | K | A | -1.8782 | |
| 448 | T | A | -1.6764 | |
| 449 | R | A | -2.3363 | |
| 450 | S | A | -1.3251 | |
| 451 | S | A | -0.8701 | |
| 452 | S | A | -0.1876 | |
| 453 | Y | A | 1.2341 | |
| 454 | L | A | 1.6538 | |
| 455 | D | A | -0.2693 | |
| 456 | N | A | -0.0534 | |
| 457 | L | A | 1.9497 | |
| 458 | V | A | 1.8642 | |
| 459 | W | A | 0.4886 | |
| 460 | R | A | -1.8297 | |
| 461 | E | A | -2.3476 | |
| 462 | S | A | -2.0361 | |
| 463 | E | A | -2.1553 | |
| 464 | V | A | -0.0972 | |
| 465 | N | A | -0.8935 | |
| 466 | H | A | -0.5897 | |
| 467 | Y | A | 0.8572 | |
| 468 | Y | A | 0.3209 | |
| 469 | E | A | -1.4450 | |
| 470 | P | A | -1.0156 | |
| 471 | K | A | -1.2388 | |
| 472 | L | A | 0.1494 | |
| 473 | I | A | 1.3924 | |
| 474 | I | A | 0.4099 | |
| 475 | D | A | -0.9032 | |
| 476 | L | A | -0.9278 | |
| 477 | S | A | -1.7462 | |
| 478 | N | A | -2.4346 | |
| 479 | W | A | -1.9833 | |
| 480 | K | A | -3.3616 | |
| 481 | E | A | -4.0982 | |
| 482 | Q | A | -3.7646 | |
| 483 | S | A | -3.3411 | |
| 484 | K | A | -4.2781 | |
| 485 | E | A | -4.3175 | |
| 486 | K | A | -3.9956 | |
| 487 | S | A | -3.2183 | |
| 488 | D | A | -3.8798 | |
| 489 | K | A | -4.0556 | |
| 490 | K | A | -3.5851 | |
| 491 | G | A | -3.5089 | |
| 492 | K | A | -3.6161 | |
| 493 | S | A | -2.9693 | |
| 494 | K | A | -3.2116 | |
| 495 | C | A | -2.0594 | |
| 496 | E | A | -3.4015 | |
| 497 | R | A | -3.5455 | |
| 498 | N | A | -2.6123 | |
| 499 | G | A | -1.5911 | |
| 500 | L | A | -0.1560 | |
| 501 | V | A | 0.1465 | |
| 502 | K | A | -1.2179 | |
| 503 | A | A | -0.3192 | |
| 504 | Q | A | -0.2800 | |
| 505 | I | A | 0.3410 | |
| 506 | A | A | -0.2730 | |
| 507 | L | A | -0.2200 | |
| 508 | E | A | -2.2547 | |
| 509 | E | A | -2.4896 | |
| 510 | A | A | -1.2356 | |
| 511 | S | A | -1.2547 | |
| 512 | Q | A | -2.5474 | |
| 513 | Q | A | -2.3540 | |
| 514 | L | A | -1.0619 | |
| 515 | A | A | -1.9990 | |
| 516 | G | A | -2.9536 | |
| 517 | K | A | -3.9048 | |
| 518 | E | A | -4.2290 | |
| 519 | R | A | -4.6587 | |
| 520 | E | A | -5.2102 | |
| 521 | K | A | -4.7900 | |
| 522 | N | A | -3.4689 | |
| 523 | Q | A | -2.6154 | |
| 524 | G | A | -1.1157 | |
| 525 | F | A | 0.8922 | |
| 526 | D | A | -0.4257 | |
| 527 | F | A | 1.3404 | |
| 528 | D | A | -0.5264 | |
| 529 | S | A | 0.2061 | |
| 530 | F | A | 1.9272 | |
| 531 | I | A | 1.4074 | |
| 532 | A | A | 1.0596 | |
| 533 | G | A | 0.7608 | |
| 534 | T | A | 1.3340 | |
| 535 | I | A | 2.1459 | |
| 536 | Q | A | 0.2296 | |
| 537 | L | A | 1.0901 | |
| 538 | S | A | 0.1847 | |
| 539 | S | A | -0.8014 | |
| 540 | Q | A | -2.0972 | |
| 541 | H | A | -2.5893 | |
| 542 | E | A | -2.7292 | |
| 543 | P | A | -1.5356 | |
| 544 | T | A | -1.5588 | |
| 545 | D | A | -2.1077 | |
| 546 | V | A | -0.8314 | |
| 547 | V | A | -0.8945 | |
| 548 | D | A | -2.8704 | |
| 549 | K | A | -2.6370 | |
| 550 | L | A | -1.1465 | |
| 551 | N | A | -2.3836 | |
| 552 | D | A | -2.6279 | |
| 553 | L | A | -0.4817 | |
| 554 | N | A | -1.5635 | |
| 555 | S | A | -1.2819 | |
| 556 | S | A | -0.5399 | |
| 557 | V | A | 0.2127 | |
| 558 | S | A | -0.4935 | |
| 559 | Q | A | -0.9634 | |
| 560 | L | A | 0.2502 | |
| 561 | E | A | -0.8359 | |
| 562 | L | A | 0.6758 | |
| 563 | K | A | -0.5939 | |
| 564 | S | A | 0.1175 | |
| 565 | L | A | 1.8565 | |
| 566 | I | A | 1.9581 | |
| 567 | S | A | 0.5150 | |
| 568 | K | A | -1.2357 | |
| 569 | S | A | -0.7540 | |
| 570 | V | A | -0.1142 | |
| 571 | S | A | -1.5759 | |
| 572 | Q | A | -3.2310 | |
| 573 | E | A | -4.2278 | |
| 574 | K | A | -4.1135 | |
| 575 | Q | A | -3.9085 | |
| 576 | E | A | -4.3287 | |
| 577 | K | A | -4.0164 | |
| 578 | G | A | -2.5026 | |
| 579 | M | A | -1.0905 | |
| 580 | A | A | -1.3324 | |
| 581 | N | A | -1.3937 | |
| 582 | L | A | 0.3716 | |
| 583 | A | A | -0.2138 | |
| 584 | Q | A | -0.4385 | |
| 585 | L | A | 0.5659 | |
| 586 | E | A | -0.7850 | |
| 587 | A | A | -0.0248 | |
| 588 | L | A | 1.4651 | |
| 589 | Y | A | 0.9236 | |
| 590 | Q | A | -0.4473 | |
| 591 | S | A | -0.3078 | |
| 592 | S | A | -0.4434 | |
| 593 | W | A | -0.1648 | |
| 594 | D | A | -1.4452 | |
| 595 | S | A | -0.6321 | |
| 596 | Q | A | -0.1337 | |
| 597 | F | A | 1.8783 | |
| 598 | V | A | 2.1832 | |
| 599 | S | A | 0.6831 | |
| 600 | G | A | -0.6532 | |
| 601 | G | A | -2.0286 | |
| 602 | E | A | -2.6620 | |
| 603 | D | A | -1.6527 | |
| 604 | C | A | 1.0400 | |
| 605 | F | A | 2.8220 | |
| 606 | F | A | 3.3233 | |
| 607 | I | A | 2.7789 | |
| 608 | N | A | 0.4064 | |
| 609 | Q | A | -0.2100 | |
| 610 | F | A | 1.4092 | |
| 611 | C | A | 0.6934 | |
| 612 | E | A | -0.9785 | |
| 613 | V | A | -0.1959 | |
| 614 | R | A | -2.8959 | |
| 615 | K | A | -3.8938 | |
| 616 | D | A | -3.8919 | |
| 617 | E | A | -3.7008 | |
| 618 | Q | A | -2.5747 | |
| 619 | V | A | -0.9561 | |
| 620 | E | A | -2.9757 | |
| 621 | K | A | -3.5429 | |
| 622 | E | A | -3.4222 | |
| 623 | N | A | -2.5449 | |
| 624 | T | A | -0.8028 | |
| 625 | Y | A | 0.7325 | |
| 626 | T | A | -0.0721 | |
| 627 | S | A | -0.2636 | |
| 628 | Y | A | -0.2479 | |
| 629 | L | A | -0.3541 | |
| 630 | D | A | -1.5355 | |
| 631 | K | A | -1.8188 | |
| 632 | F | A | -0.4385 | |
| 633 | F | A | -0.8108 | |
| 634 | S | A | -2.1545 | |
| 635 | R | A | -3.6371 | |
| 636 | K | A | -3.8110 | |
| 637 | E | A | -4.2800 | |
| 638 | D | A | -3.7724 | |
| 639 | T | A | -2.0821 | |
| 640 | E | A | -1.9360 | |
| 641 | M | A | 0.1334 | |
| 642 | L | A | 0.4662 | |
| 643 | E | A | -1.5331 | |
| 644 | T | A | -1.1519 | |
| 645 | E | A | -2.0642 | |
| 646 | P | A | -1.1600 | |
| 647 | V | A | -0.0858 | |
| 648 | E | A | -2.3628 | |
| 649 | D | A | -2.8308 | |
| 650 | G | A | -2.0736 | |
| 651 | K | A | -1.9193 | |
| 652 | L | A | -0.2157 | |
| 653 | G | A | -1.2927 | |
| 654 | E | A | -2.7099 | |
| 655 | R | A | -3.2792 | |
| 656 | G | A | -2.6472 | |
| 657 | H | A | -3.0038 | |
| 658 | E | A | -3.2285 | |
| 659 | E | A | -2.5064 | |
| 660 | G | A | -0.6645 | |
| 661 | F | A | 1.4040 | |
| 662 | L | A | 1.2584 | |
| 663 | N | A | -0.9003 | |
| 664 | N | A | -1.8333 | |
| 665 | S | A | -1.5615 | |
| 666 | G | A | -1.2466 | |
| 667 | E | A | -0.6112 | |
| 668 | F | A | 2.0172 | |
| 669 | L | A | 2.1768 | |
| 670 | F | A | 1.7109 | |
| 671 | N | A | -0.5663 | |
| 672 | K | A | -1.9981 | |
| 673 | Q | A | -1.9858 | |
| 674 | L | A | -0.3154 | |
| 675 | E | A | -1.2674 | |
| 676 | S | A | 0.2565 | |
| 677 | I | A | 1.8512 | |
| 678 | G | A | 1.1328 | |
| 679 | I | A | 2.0970 | |
| 680 | P | A | 0.5874 | |
| 681 | Q | A | -0.2244 | |
| 682 | F | A | 1.2767 | |
| 683 | H | A | -0.1741 | |
| 684 | S | A | -0.1201 | |
| 685 | P | A | 0.3921 | |
| 686 | V | A | 1.3728 | |
| 687 | G | A | 0.2900 | |
| 688 | S | A | -0.1155 | |
| 689 | P | A | 0.0351 | |
| 690 | L | A | 0.7080 | |
| 691 | K | A | -0.7872 | |
| 692 | S | A | -0.0517 | |
| 693 | I | A | 1.0747 | |
| 694 | Q | A | -0.3097 | |
| 695 | A | A | 0.0589 | |
| 696 | T | A | 0.7128 | |
| 697 | L | A | 1.1935 | |
| 698 | T | A | 0.5000 | |
| 699 | P | A | 0.1926 | |
| 700 | S | A | -0.0542 | |
| 701 | A | A | -0.1099 | |
| 702 | M | A | 0.0749 | |
| 703 | K | A | -1.3877 | |
| 704 | S | A | -1.0755 | |
| 705 | S | A | -0.7794 | |
| 706 | P | A | -0.6948 | |
| 707 | Q | A | -0.6359 | |
| 708 | I | A | 0.9108 | |
| 709 | P | A | -0.3646 | |
| 710 | H | A | -1.1622 | |
| 711 | Q | A | -1.0733 | |
| 712 | T | A | 0.2748 | |
| 713 | Y | A | 0.9938 | |
| 714 | S | A | 0.1382 | |
| 715 | S | A | 0.3805 | |
| 716 | I | A | 1.8062 | |
| 717 | L | A | 1.5736 | |
| 718 | K | A | -0.7718 | |
| 719 | H | A | -0.4898 | |
| 720 | L | A | 0.7918 | |
| 721 | N | A | -0.8018 |
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 | -0.2656 | 7.724 | View | CSV | PDB |
| 4.5 | -0.3856 | 7.6923 | View | CSV | PDB |
| 5.0 | -0.5364 | 7.6509 | View | CSV | PDB |
| 5.5 | -0.6909 | 7.6051 | View | CSV | PDB |
| 6.0 | -0.8206 | 7.5577 | View | CSV | PDB |
| 6.5 | -0.9066 | 7.5097 | View | CSV | PDB |
| 7.0 | -0.9488 | 7.4616 | View | CSV | PDB |
| 7.5 | -0.962 | 7.4138 | View | CSV | PDB |
| 8.0 | -0.9595 | 7.3669 | View | CSV | PDB |
| 8.5 | -0.9448 | 7.3225 | View | CSV | PDB |
| 9.0 | -0.9154 | 7.2847 | 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