| Chain sequence(s) |
A: MSGFNFGGTGAPTGGFTFGTAKTATTTPATGFSFSTSGTGGFNFGAPFQPATSTPSTGLFSLATQTPATQTTGFTFGTATLASGGTGFSLGIGASKLNLSNTAATPAMANPSGFGLGSSNLTNAISSTVTSSQGTAPTGFVFGPSTTSVAPATTSGGFSFTGGSTAQPSGFNIGSAGNSAQPTAPATLPFTPATPAATTAGATQPAAPTPTATITSTGPSLFASIATAPTSSATTGLSLCTPVTTAGAPTAGTQGFSLKAPGAASGTSTTTSTAATATATTTSSSSTTGFALNLKPLAPAGIPSNTAAAVTAPPGPGAAAGAAASSAMTYAQLESLINKWSLELEDQERHFLQQATQVNAWDRTLIENGEKITSLHREVEKVKLDQKRLDQELDFILSQQKELEDLLSPLEELVKEQSGTIYLQHADEEREKTYKLAENIDAQLKRMAQDLKDIIEHLNTSGAPADTSDPLQQICKILNAHMDSLQWIDQNSALLQRKVEEVTKVCEGRRKEQERSFRITFD
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 |
| Mutated residues | FY32A |
| Energy difference between WT (input) and mutated protein (by FoldX) | 0.0135548 kcal/mol |
| 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 (00:00:04)
[INFO] FoldX: Building mutant model (00:02:28)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:02:31)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/883e84e0ccbb226/tmp/folded.pdb (00:02:31)
[INFO] Main: Simulation completed successfully. (00:04:18)
|
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 | 1.0293 | |
| 2 | S | A | 0.4223 | |
| 3 | G | A | 0.4544 | |
| 4 | F | A | 1.5236 | |
| 5 | N | A | 0.3447 | |
| 6 | F | A | 1.3504 | |
| 7 | G | A | 0.0903 | |
| 8 | G | A | -0.4108 | |
| 9 | T | A | -0.4593 | |
| 10 | G | A | -0.6325 | |
| 11 | A | A | -0.3187 | |
| 12 | P | A | -0.5218 | |
| 13 | T | A | -0.5100 | |
| 14 | G | A | -0.3687 | |
| 15 | G | A | 0.1381 | |
| 16 | F | A | 1.9938 | |
| 17 | T | A | 1.5284 | |
| 18 | F | A | 2.0900 | |
| 19 | G | A | 0.4292 | |
| 20 | T | A | -0.2161 | |
| 21 | A | A | -0.9024 | |
| 22 | K | A | -1.7087 | |
| 23 | T | A | -0.8651 | |
| 24 | A | A | -0.3747 | |
| 25 | T | A | -0.1051 | |
| 26 | T | A | -0.1942 | |
| 27 | T | A | -0.2341 | |
| 28 | P | A | -0.3424 | |
| 29 | A | A | -0.2138 | |
| 30 | T | A | -0.0401 | |
| 31 | G | A | 0.0626 | |
| 32 | Y | A | 1.3574 | mutated: FY32A |
| 33 | S | A | 1.1942 | |
| 34 | F | A | 1.9918 | |
| 35 | S | A | 0.6645 | |
| 36 | T | A | 0.0294 | |
| 37 | S | A | -0.5866 | |
| 38 | G | A | -0.8142 | |
| 39 | T | A | -0.4783 | |
| 40 | G | A | -0.5068 | |
| 41 | G | A | -0.1489 | |
| 42 | F | A | 1.4243 | |
| 43 | N | A | 0.3338 | |
| 44 | F | A | 1.5294 | |
| 45 | G | A | 0.3857 | |
| 46 | A | A | 0.3027 | |
| 47 | P | A | 0.4638 | |
| 48 | F | A | 1.1363 | |
| 49 | Q | A | -0.4213 | |
| 50 | P | A | -0.4206 | |
| 51 | A | A | -0.2340 | |
| 52 | T | A | -0.3767 | |
| 53 | S | A | -0.3503 | |
| 54 | T | A | -0.3576 | |
| 55 | P | A | -0.4595 | |
| 56 | S | A | -0.4853 | |
| 57 | T | A | -0.1068 | |
| 58 | G | A | 0.6897 | |
| 59 | L | A | 2.1730 | |
| 60 | F | A | 2.8678 | |
| 61 | S | A | 1.7718 | |
| 62 | L | A | 1.9313 | |
| 63 | A | A | 0.6342 | |
| 64 | T | A | -0.2893 | |
| 65 | Q | A | -1.3051 | |
| 66 | T | A | -0.7966 | |
| 67 | P | A | -0.5204 | |
| 68 | A | A | -0.4078 | |
| 69 | T | A | -0.7021 | |
| 70 | Q | A | -1.2678 | |
| 71 | T | A | -0.8171 | |
| 72 | T | A | -0.1982 | |
| 73 | G | A | 0.4091 | |
| 74 | F | A | 2.0596 | |
| 75 | T | A | 1.6258 | |
| 76 | F | A | 2.1017 | |
| 77 | G | A | 0.6991 | |
| 78 | T | A | 0.2193 | |
| 79 | A | A | 0.4425 | |
| 80 | T | A | 0.7214 | |
| 81 | L | A | 1.4974 | |
| 82 | A | A | 0.5864 | |
| 83 | S | A | -0.1073 | |
| 84 | G | A | -0.8458 | |
| 85 | G | A | -0.6953 | |
| 86 | T | A | -0.2222 | |
| 87 | G | A | 0.2148 | |
| 88 | F | A | 1.8687 | |
| 89 | S | A | 1.2751 | |
| 90 | L | A | 1.9968 | |
| 91 | G | A | 1.1270 | |
| 92 | I | A | 1.8427 | |
| 93 | G | A | 0.1796 | |
| 94 | A | A | -0.2343 | |
| 95 | S | A | -0.6708 | |
| 96 | K | A | -1.2503 | |
| 97 | L | A | 0.4056 | |
| 98 | N | A | -0.4445 | |
| 99 | L | A | 0.6548 | |
| 100 | S | A | -0.2685 | |
| 101 | N | A | -1.1097 | |
| 102 | T | A | -0.5189 | |
| 103 | A | A | -0.2590 | |
| 104 | A | A | -0.1471 | |
| 105 | T | A | -0.1448 | |
| 106 | P | A | -0.0184 | |
| 107 | A | A | 0.4562 | |
| 108 | M | A | 0.7836 | |
| 109 | A | A | -0.1997 | |
| 110 | N | A | -1.1739 | |
| 111 | P | A | -1.0398 | |
| 112 | S | A | -0.4267 | |
| 113 | G | A | 0.1823 | |
| 114 | F | A | 1.7661 | |
| 115 | G | A | 1.2419 | |
| 116 | L | A | 1.4965 | |
| 117 | G | A | -0.0931 | |
| 118 | S | A | -0.6148 | |
| 119 | S | A | -1.0912 | |
| 120 | N | A | -0.7231 | |
| 121 | L | A | 0.6178 | |
| 122 | T | A | -0.0775 | |
| 123 | N | A | -0.4809 | |
| 124 | A | A | 0.2312 | |
| 125 | I | A | 1.5823 | |
| 126 | S | A | 0.6649 | |
| 127 | S | A | 0.5133 | |
| 128 | T | A | 0.6239 | |
| 129 | V | A | 1.6067 | |
| 130 | T | A | 0.6234 | |
| 131 | S | A | -0.2546 | |
| 132 | S | A | -1.0157 | |
| 133 | Q | A | -1.5828 | |
| 134 | G | A | -1.1351 | |
| 135 | T | A | -0.5936 | |
| 136 | A | A | -0.3469 | |
| 137 | P | A | -0.3631 | |
| 138 | T | A | 0.1972 | |
| 139 | G | A | 1.2134 | |
| 140 | F | A | 2.9631 | |
| 141 | V | A | 3.4208 | |
| 142 | F | A | 2.8882 | |
| 143 | G | A | 0.6942 | |
| 144 | P | A | -0.1951 | |
| 145 | S | A | -0.3081 | |
| 146 | T | A | -0.3154 | |
| 147 | T | A | 0.1142 | |
| 148 | S | A | 0.5721 | |
| 149 | V | A | 1.6313 | |
| 150 | A | A | 0.7520 | |
| 151 | P | A | 0.1322 | |
| 152 | A | A | -0.1015 | |
| 153 | T | A | -0.1696 | |
| 154 | T | A | -0.3426 | |
| 155 | S | A | -0.5997 | |
| 156 | G | A | -0.3933 | |
| 157 | G | A | 0.3390 | |
| 158 | F | A | 1.9302 | |
| 159 | S | A | 1.5265 | |
| 160 | F | A | 2.0246 | |
| 161 | T | A | 0.5499 | |
| 162 | G | A | -0.4239 | |
| 163 | G | A | -0.6770 | |
| 164 | S | A | -0.5620 | |
| 165 | T | A | -0.5035 | |
| 166 | A | A | -0.6428 | |
| 167 | Q | A | -1.4213 | |
| 168 | P | A | -1.1088 | |
| 169 | S | A | -0.4570 | |
| 170 | G | A | -0.1076 | |
| 171 | F | A | 1.4930 | |
| 172 | N | A | 0.3923 | |
| 173 | I | A | 1.5618 | |
| 174 | G | A | 0.1304 | |
| 175 | S | A | -0.1530 | |
| 176 | A | A | -0.3808 | |
| 177 | G | A | -1.1399 | |
| 178 | N | A | -1.7219 | |
| 179 | S | A | -1.1632 | |
| 180 | A | A | -0.9746 | |
| 181 | Q | A | -1.4952 | |
| 182 | P | A | -0.9283 | |
| 183 | T | A | -0.4849 | |
| 184 | A | A | -0.2841 | |
| 185 | P | A | -0.2238 | |
| 186 | A | A | 0.2391 | |
| 187 | T | A | 0.5996 | |
| 188 | L | A | 1.8509 | |
| 189 | P | A | 1.3886 | |
| 190 | F | A | 2.0795 | |
| 191 | T | A | 0.7068 | |
| 192 | P | A | 0.1846 | |
| 193 | A | A | -0.1700 | |
| 194 | T | A | -0.2022 | |
| 195 | P | A | -0.2377 | |
| 196 | A | A | -0.0651 | |
| 197 | A | A | -0.0119 | |
| 198 | T | A | -0.0592 | |
| 199 | T | A | -0.1709 | |
| 200 | A | A | -0.2545 | |
| 201 | G | A | -0.4358 | |
| 202 | A | A | -0.4602 | |
| 203 | T | A | -0.7711 | |
| 204 | Q | A | -1.3397 | |
| 205 | P | A | -0.8745 | |
| 206 | A | A | -0.3639 | |
| 207 | A | A | -0.1534 | |
| 208 | P | A | -0.3240 | |
| 209 | T | A | -0.3430 | |
| 210 | P | A | -0.3668 | |
| 211 | T | A | 0.0052 | |
| 212 | A | A | 0.3971 | |
| 213 | T | A | 0.8705 | |
| 214 | I | A | 1.8901 | |
| 215 | T | A | 0.7190 | |
| 216 | S | A | 0.0973 | |
| 217 | T | A | -0.2547 | |
| 218 | G | A | -0.5670 | |
| 219 | P | A | 0.0053 | |
| 220 | S | A | 0.8255 | |
| 221 | L | A | 2.2333 | |
| 222 | F | A | 2.8429 | |
| 223 | A | A | 1.7920 | |
| 224 | S | A | 1.5319 | |
| 225 | I | A | 2.2007 | |
| 226 | A | A | 0.9288 | |
| 227 | T | A | 0.4004 | |
| 228 | A | A | 0.1608 | |
| 229 | P | A | -0.3496 | |
| 230 | T | A | -0.3313 | |
| 231 | S | A | -0.4030 | |
| 232 | S | A | -0.3571 | |
| 233 | A | A | -0.2079 | |
| 234 | T | A | -0.1013 | |
| 235 | T | A | 0.0178 | |
| 236 | G | A | 0.3475 | |
| 237 | L | A | 1.6422 | |
| 238 | S | A | 1.3320 | |
| 239 | L | A | 2.0756 | |
| 240 | C | A | 1.5022 | |
| 241 | T | A | 0.8828 | |
| 242 | P | A | 0.8720 | |
| 243 | V | A | 1.5841 | |
| 244 | T | A | 0.6472 | |
| 245 | T | A | 0.1714 | |
| 246 | A | A | -0.2312 | |
| 247 | G | A | -0.4906 | |
| 248 | A | A | -0.2885 | |
| 249 | P | A | -0.3941 | |
| 250 | T | A | -0.2551 | |
| 251 | A | A | -0.2756 | |
| 252 | G | A | -0.8523 | |
| 253 | T | A | -0.9752 | |
| 254 | Q | A | -1.1766 | |
| 255 | G | A | -0.1906 | |
| 256 | F | A | 1.4898 | |
| 257 | S | A | 0.7855 | |
| 258 | L | A | 0.9934 | |
| 259 | K | A | -0.9068 | |
| 260 | A | A | -0.6392 | |
| 261 | P | A | -0.7177 | |
| 262 | G | A | -0.7928 | |
| 263 | A | A | -0.2465 | |
| 264 | A | A | -0.2390 | |
| 265 | S | A | -0.4791 | |
| 266 | G | A | -0.6385 | |
| 267 | T | A | -0.4732 | |
| 268 | S | A | -0.4300 | |
| 269 | T | A | -0.2418 | |
| 270 | T | A | -0.2374 | |
| 271 | T | A | -0.2410 | |
| 272 | S | A | -0.2874 | |
| 273 | T | A | -0.1643 | |
| 274 | A | A | -0.0068 | |
| 275 | A | A | 0.0526 | |
| 276 | T | A | -0.0145 | |
| 277 | A | A | 0.0187 | |
| 278 | T | A | -0.0449 | |
| 279 | A | A | -0.0136 | |
| 280 | T | A | -0.1078 | |
| 281 | T | A | -0.2009 | |
| 282 | T | A | -0.2742 | |
| 283 | S | A | -0.4408 | |
| 284 | S | A | -0.5048 | |
| 285 | S | A | -0.4950 | |
| 286 | S | A | -0.5159 | |
| 287 | T | A | -0.2490 | |
| 288 | T | A | -0.0146 | |
| 289 | G | A | 0.3738 | |
| 290 | F | A | 1.5336 | |
| 291 | A | A | 1.2205 | |
| 292 | L | A | 1.5243 | |
| 293 | N | A | -0.1169 | |
| 294 | L | A | 0.7040 | |
| 295 | K | A | -0.8466 | |
| 296 | P | A | -0.0765 | |
| 297 | L | A | 1.1593 | |
| 298 | A | A | 0.3671 | |
| 299 | P | A | 0.1904 | |
| 300 | A | A | 0.3662 | |
| 301 | G | A | 0.3925 | |
| 302 | I | A | 1.6064 | |
| 303 | P | A | 0.2168 | |
| 304 | S | A | -0.5881 | |
| 305 | N | A | -1.4494 | |
| 306 | T | A | -0.8250 | |
| 307 | A | A | -0.2189 | |
| 308 | A | A | 0.3364 | |
| 309 | A | A | 0.9706 | |
| 310 | V | A | 1.7918 | |
| 311 | T | A | 0.7712 | |
| 312 | A | A | 0.2048 | |
| 313 | P | A | -0.4834 | |
| 314 | P | A | -0.6612 | |
| 315 | G | A | -0.8668 | |
| 316 | P | A | -0.7425 | |
| 317 | G | A | -0.6495 | |
| 318 | A | A | -0.2328 | |
| 319 | A | A | -0.1002 | |
| 320 | A | A | -0.1051 | |
| 321 | G | A | -0.3679 | |
| 322 | A | A | -0.1412 | |
| 323 | A | A | -0.0749 | |
| 324 | A | A | -0.1164 | |
| 325 | S | A | -0.1358 | |
| 326 | S | A | -0.0476 | |
| 327 | A | A | 0.3364 | |
| 328 | M | A | 0.6701 | |
| 329 | T | A | 0.4934 | |
| 330 | Y | A | 1.0380 | |
| 331 | A | A | 0.1008 | |
| 332 | Q | A | -0.6178 | |
| 333 | L | A | 0.1072 | |
| 334 | E | A | -0.7279 | |
| 335 | S | A | -0.8581 | |
| 336 | L | A | 0.1464 | |
| 337 | I | A | 0.3143 | |
| 338 | N | A | -0.7727 | |
| 339 | K | A | -0.5633 | |
| 340 | W | A | 0.7438 | |
| 341 | S | A | 0.1967 | |
| 342 | L | A | 0.0437 | |
| 343 | E | A | -1.1163 | |
| 344 | L | A | -0.9733 | |
| 345 | E | A | -2.8797 | |
| 346 | D | A | -3.2286 | |
| 347 | Q | A | -3.1209 | |
| 348 | E | A | -3.4543 | |
| 349 | R | A | -3.8088 | |
| 350 | H | A | -2.7286 | |
| 351 | F | A | -0.6978 | |
| 352 | L | A | -0.3912 | |
| 353 | Q | A | -1.8241 | |
| 354 | Q | A | -1.2760 | |
| 355 | A | A | -0.2932 | |
| 356 | T | A | -0.7631 | |
| 357 | Q | A | -0.9462 | |
| 358 | V | A | -0.6578 | |
| 359 | N | A | -1.9177 | |
| 360 | A | A | -1.2400 | |
| 361 | W | A | -0.5241 | |
| 362 | D | A | -1.6435 | |
| 363 | R | A | -2.0388 | |
| 364 | T | A | -1.0390 | |
| 365 | L | A | -0.1360 | |
| 366 | I | A | -0.0389 | |
| 367 | E | A | -2.3271 | |
| 368 | N | A | -1.7347 | |
| 369 | G | A | -1.0424 | |
| 370 | E | A | -2.3707 | |
| 371 | K | A | -2.1830 | |
| 372 | I | A | -0.6363 | |
| 373 | T | A | -1.5059 | |
| 374 | S | A | -1.5269 | |
| 375 | L | A | -0.9489 | |
| 376 | H | A | -1.9796 | |
| 377 | R | A | -3.3164 | |
| 378 | E | A | -2.5335 | |
| 379 | V | A | -0.9131 | |
| 380 | E | A | -2.9943 | |
| 381 | K | A | -2.9960 | |
| 382 | V | A | -1.2916 | |
| 383 | K | A | -2.4680 | |
| 384 | L | A | -1.7090 | |
| 385 | D | A | -2.4880 | |
| 386 | Q | A | -3.1196 | |
| 387 | K | A | -3.4733 | |
| 388 | R | A | -3.4740 | |
| 389 | L | A | -1.9112 | |
| 390 | D | A | -2.1332 | |
| 391 | Q | A | -2.0165 | |
| 392 | E | A | -1.0248 | |
| 393 | L | A | 0.4973 | |
| 394 | D | A | -0.4215 | |
| 395 | F | A | 1.4880 | |
| 396 | I | A | 1.6667 | |
| 397 | L | A | 1.0209 | |
| 398 | S | A | -0.6517 | |
| 399 | Q | A | -1.5054 | |
| 400 | Q | A | -2.1345 | |
| 401 | K | A | -3.1855 | |
| 402 | E | A | -3.3419 | |
| 403 | L | A | -1.9935 | |
| 404 | E | A | -3.2228 | |
| 405 | D | A | -2.9023 | |
| 406 | L | A | -0.4090 | |
| 407 | L | A | -0.4250 | |
| 408 | S | A | -0.8151 | |
| 409 | P | A | -0.4954 | |
| 410 | L | A | 0.3624 | |
| 411 | E | A | -1.4217 | |
| 412 | E | A | -2.1782 | |
| 413 | L | A | -0.0323 | |
| 414 | V | A | -0.1779 | |
| 415 | K | A | -2.6401 | |
| 416 | E | A | -2.5305 | |
| 417 | Q | A | -1.3284 | |
| 418 | S | A | -0.6187 | |
| 419 | G | A | -0.7953 | |
| 420 | T | A | 0.1692 | |
| 421 | I | A | 2.2650 | |
| 422 | Y | A | 2.3298 | |
| 423 | L | A | 1.4328 | |
| 424 | Q | A | -1.0290 | |
| 425 | H | A | -2.3441 | |
| 426 | A | A | -2.3765 | |
| 427 | D | A | -3.0949 | |
| 428 | E | A | -3.7590 | |
| 429 | E | A | -4.5312 | |
| 430 | R | A | -3.7935 | |
| 431 | E | A | -3.4284 | |
| 432 | K | A | -3.5228 | |
| 433 | T | A | -2.0321 | |
| 434 | Y | A | -0.9016 | |
| 435 | K | A | -2.1193 | |
| 436 | L | A | -0.1930 | |
| 437 | A | A | -0.6484 | |
| 438 | E | A | -2.1346 | |
| 439 | N | A | -1.6254 | |
| 440 | I | A | -0.2493 | |
| 441 | D | A | -1.7473 | |
| 442 | A | A | -1.7764 | |
| 443 | Q | A | -1.7272 | |
| 444 | L | A | -0.8029 | |
| 445 | K | A | -2.5421 | |
| 446 | R | A | -3.0124 | |
| 447 | M | A | -1.4773 | |
| 448 | A | A | -1.5981 | |
| 449 | Q | A | -2.8073 | |
| 450 | D | A | -2.5208 | |
| 451 | L | A | -0.7248 | |
| 452 | K | A | -2.1133 | |
| 453 | D | A | -2.0019 | |
| 454 | I | A | -0.2129 | |
| 455 | I | A | -0.0717 | |
| 456 | E | A | -2.1029 | |
| 457 | H | A | -1.1953 | |
| 458 | L | A | 0.1368 | |
| 459 | N | A | -1.3455 | |
| 460 | T | A | -0.9252 | |
| 461 | S | A | -0.5978 | |
| 462 | G | A | -0.9283 | |
| 463 | A | A | -1.2875 | |
| 464 | P | A | -1.0958 | |
| 465 | A | A | -1.1123 | |
| 466 | D | A | -2.2344 | |
| 467 | T | A | -1.3814 | |
| 468 | S | A | -1.3406 | |
| 469 | D | A | -1.2131 | |
| 470 | P | A | -0.4088 | |
| 471 | L | A | 1.1091 | |
| 472 | Q | A | -0.4451 | |
| 473 | Q | A | -0.5139 | |
| 474 | I | A | 1.2478 | |
| 475 | C | A | 0.3877 | |
| 476 | K | A | -0.9738 | |
| 477 | I | A | 0.8246 | |
| 478 | L | A | 0.5121 | |
| 479 | N | A | -1.0630 | |
| 480 | A | A | -0.7569 | |
| 481 | H | A | -0.5810 | |
| 482 | M | A | -0.1709 | |
| 483 | D | A | -1.5120 | |
| 484 | S | A | -0.6134 | |
| 485 | L | A | -0.2883 | |
| 486 | Q | A | -1.3926 | |
| 487 | W | A | -0.0716 | |
| 488 | I | A | 0.2897 | |
| 489 | D | A | -1.6671 | |
| 490 | Q | A | -1.3778 | |
| 491 | N | A | -0.5030 | |
| 492 | S | A | -0.8328 | |
| 493 | A | A | -0.8117 | |
| 494 | L | A | -0.2884 | |
| 495 | L | A | -0.0561 | |
| 496 | Q | A | -1.3452 | |
| 497 | R | A | -2.2537 | |
| 498 | K | A | -1.5406 | |
| 499 | V | A | 0.2586 | |
| 500 | E | A | -1.5344 | |
| 501 | E | A | -2.0777 | |
| 502 | V | A | 0.3471 | |
| 503 | T | A | -0.7928 | |
| 504 | K | A | -2.1149 | |
| 505 | V | A | -0.5232 | |
| 506 | C | A | -1.6162 | |
| 507 | E | A | -3.2116 | |
| 508 | G | A | -3.1122 | |
| 509 | R | A | -4.6659 | |
| 510 | R | A | -5.2816 | |
| 511 | K | A | -4.7887 | |
| 512 | E | A | -5.3567 | |
| 513 | Q | A | -4.5320 | |
| 514 | E | A | -4.2531 | |
| 515 | R | A | -3.7658 | |
| 516 | S | A | -1.4116 | |
| 517 | F | A | 0.0592 | |
| 518 | R | A | -1.1696 | |
| 519 | I | A | 0.9314 | |
| 520 | T | A | 1.1275 | |
| 521 | F | A | 1.4939 | |
| 522 | D | A | -0.5184 |
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 | 0.4568 | 6.1738 | View | CSV | PDB |
| 4.5 | 0.3853 | 6.1738 | View | CSV | PDB |
| 5.0 | 0.2938 | 6.1738 | View | CSV | PDB |
| 5.5 | 0.2007 | 6.1738 | View | CSV | PDB |
| 6.0 | 0.1243 | 6.1738 | View | CSV | PDB |
| 6.5 | 0.0773 | 6.1738 | View | CSV | PDB |
| 7.0 | 0.062 | 6.1738 | View | CSV | PDB |
| 7.5 | 0.0704 | 6.1738 | View | CSV | PDB |
| 8.0 | 0.0919 | 6.1738 | View | CSV | PDB |
| 8.5 | 0.1217 | 6.1738 | View | CSV | PDB |
| 9.0 | 0.1599 | 6.1738 | 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