| Chain sequence(s) |
A: KKPAKPKCPAVCTCTKDNALCENARSIPRTVPPDVISLSFVRSGFTEISEGSFLFTPSLQLLLFTSNSFDVISDDAFIGLPHLEYLFIENNNIKSISRHTFRGLKSLIHLSLANNNLQTLPKDIFKGLDSLTNVDLRGNSFNCDCKLKWLVEWLGHTNATVEDIYCEGPPEYKKRKINSLSSKDFDCIITEFAKSQDLPYQSLSIDTFSYLNDEYVVIAQPFTGKCIFLEWDHVEKTFRNYDNITGTSTVVCKPIVIETQLYVIVAQLFGGSHIYKRDSFANKFIKIQDIEILKIRKPNDIETFKIENNWYFVVADSSKAGFTTIYKWNGNGFYSHQSLHAWYRDTDVEYLEIVRTPQTLRTPHLILSSSSQRPVIYQWNKATQLFTNQTDIPNMEDVYAVKHFSVKGDVYICLTRFIGDSKVMKWGGSSFQDIQRMPSRGSMVFQPLQINNYQYAILGSDYSFTQVYNWDAEKAKFVKFQELNVQAPRSFTHVSINKRNFLFASSFKGNTQIYKHVIVDLSA
C: SYELTQPPSVSVAPGQTARITCSGDAIPNHYVYWYQQKPGQAPVMLIYEDNERPSGIPERFSGSSSGTTVTLTISGVQAGDEADYYCHSAGRSGSYNVAVFGGGTKLTVL B: QVQLVQSGAEVKKPGASVKVSCKASRYTFISYDINWVRQAPGQGLEWMGWMNPNNGNTGYAQRFQDRVTMTRNTSINTAYMELSSLRSEDTAVYYCARGTTVTNFDSWGQGTLVTVSSA input PDB |
| Selected Chain(s) | A,B,C |
| 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) (00:00:00)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with all chain(s) selected (00:00:00)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:00)
[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 (00:09:44)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/7aa4734722f86e8/tmp/folded.pdb (00:09:44)
[INFO] Main: Simulation completed successfully. (00:20:46)
|
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 | K | A | -2.5755 | |
| 2 | K | A | -2.8931 | |
| 3 | P | A | -1.9660 | |
| 4 | A | A | -1.9647 | |
| 5 | K | A | -2.5181 | |
| 6 | P | A | -2.0093 | |
| 7 | K | A | -2.1300 | |
| 8 | C | A | -0.7032 | |
| 9 | P | A | 0.0000 | |
| 10 | A | A | 0.2070 | |
| 11 | V | A | 0.4275 | |
| 12 | C | A | 0.3401 | |
| 13 | T | A | 0.3607 | |
| 14 | C | A | -0.5290 | |
| 15 | T | A | -1.2363 | |
| 16 | K | A | -2.6433 | |
| 17 | D | A | -2.4955 | |
| 18 | N | A | -1.2950 | |
| 19 | A | A | 0.0000 | |
| 20 | L | A | 0.7757 | |
| 21 | C | A | 0.0000 | |
| 22 | E | A | -1.2553 | |
| 23 | N | A | -2.1088 | |
| 24 | A | A | 0.0000 | |
| 25 | R | A | -2.4717 | |
| 26 | S | A | -1.5699 | |
| 27 | I | A | -0.8745 | |
| 28 | P | A | -0.9187 | |
| 29 | R | A | -1.5382 | |
| 30 | T | A | -1.2058 | |
| 31 | V | A | 0.0000 | |
| 32 | P | A | 0.0000 | |
| 33 | P | A | -1.0141 | |
| 34 | D | A | -2.3078 | |
| 35 | V | A | 0.0000 | |
| 36 | I | A | -0.9440 | |
| 37 | S | A | -0.4151 | |
| 38 | L | A | 0.0000 | |
| 39 | S | A | 0.0000 | |
| 40 | F | A | 0.0000 | |
| 41 | V | A | -0.9982 | |
| 42 | R | A | -2.5827 | |
| 43 | S | A | -2.0366 | |
| 44 | G | A | -2.1970 | |
| 45 | F | A | 0.0000 | |
| 46 | T | A | -1.7184 | |
| 47 | E | A | -1.8745 | |
| 48 | I | A | 0.0000 | |
| 49 | S | A | -1.5531 | |
| 50 | E | A | -2.1357 | |
| 51 | G | A | -0.4998 | |
| 52 | S | A | -0.5614 | |
| 53 | F | A | 0.0000 | |
| 54 | L | A | 0.9851 | |
| 55 | F | A | 0.3700 | |
| 56 | T | A | 0.0000 | |
| 57 | P | A | -0.1950 | |
| 58 | S | A | -0.8642 | |
| 59 | L | A | 0.0000 | |
| 60 | Q | A | -0.8042 | |
| 61 | L | A | 0.0796 | |
| 62 | L | A | 0.0000 | |
| 63 | L | A | 0.6342 | |
| 64 | F | A | 0.0000 | |
| 65 | T | A | -1.0654 | |
| 66 | S | A | -1.5587 | |
| 67 | N | A | 0.0000 | |
| 68 | S | A | -1.8706 | |
| 69 | F | A | 0.0000 | |
| 70 | D | A | -2.0182 | |
| 71 | V | A | -1.1495 | |
| 72 | I | A | 0.0000 | |
| 73 | S | A | -1.4695 | |
| 74 | D | A | -1.7931 | |
| 75 | D | A | -1.6637 | |
| 76 | A | A | 0.0000 | |
| 77 | F | A | 0.0000 | |
| 78 | I | A | -0.1234 | |
| 79 | G | A | -0.1400 | |
| 80 | L | A | 0.0000 | |
| 81 | P | A | -0.9775 | |
| 82 | H | A | -1.4333 | |
| 83 | L | A | 0.0000 | |
| 84 | E | A | -0.8382 | |
| 85 | Y | A | 0.1060 | |
| 86 | L | A | 0.0000 | |
| 87 | F | A | 0.2703 | |
| 88 | I | A | 0.0000 | |
| 89 | E | A | -1.5357 | |
| 90 | N | A | -2.2951 | |
| 91 | N | A | 0.0000 | |
| 92 | N | A | -2.7560 | |
| 93 | I | A | 0.0000 | |
| 94 | K | A | -2.6910 | |
| 95 | S | A | -1.5908 | |
| 96 | I | A | 0.0000 | |
| 97 | S | A | -0.8729 | |
| 98 | R | A | -1.7954 | |
| 99 | H | A | -1.8807 | |
| 100 | T | A | 0.0000 | |
| 101 | F | A | 0.0000 | |
| 102 | R | A | -1.9143 | |
| 103 | G | A | -1.1223 | |
| 104 | L | A | 0.0000 | |
| 105 | K | A | -1.1644 | |
| 106 | S | A | -0.7357 | |
| 107 | L | A | 0.0000 | |
| 108 | I | A | 0.0368 | |
| 109 | H | A | -0.1713 | |
| 110 | L | A | 0.0000 | |
| 111 | S | A | 0.0000 | |
| 112 | L | A | 0.0000 | |
| 113 | A | A | 0.0000 | |
| 114 | N | A | -2.7166 | |
| 115 | N | A | 0.0000 | |
| 116 | N | A | -2.9371 | |
| 117 | L | A | 0.0000 | |
| 118 | Q | A | -2.3082 | |
| 119 | T | A | -1.8053 | |
| 120 | L | A | 0.0000 | |
| 121 | P | A | -1.1431 | |
| 122 | K | A | -1.5362 | |
| 123 | D | A | -1.1600 | |
| 124 | I | A | 0.0000 | |
| 125 | F | A | 0.0000 | |
| 126 | K | A | -1.6601 | |
| 127 | G | A | -1.2718 | |
| 128 | L | A | 0.0000 | |
| 129 | D | A | 0.0000 | |
| 130 | S | A | -0.2012 | |
| 131 | L | A | 0.0000 | |
| 132 | T | A | -0.1387 | |
| 133 | N | A | -0.7039 | |
| 134 | V | A | 0.0000 | |
| 135 | D | A | -1.3581 | |
| 136 | L | A | 0.0000 | |
| 137 | R | A | -2.2741 | |
| 138 | G | A | -1.9414 | |
| 139 | N | A | -2.3155 | |
| 140 | S | A | -2.1578 | |
| 141 | F | A | 0.0000 | |
| 142 | N | A | -2.4424 | |
| 143 | C | A | 0.0000 | |
| 144 | D | A | -2.6770 | |
| 145 | C | A | 0.0000 | |
| 146 | K | A | -2.4140 | |
| 147 | L | A | 0.0000 | |
| 148 | K | A | -1.8801 | |
| 149 | W | A | 0.0000 | |
| 150 | L | A | 0.0000 | |
| 151 | V | A | 0.0000 | |
| 152 | E | A | -0.9349 | |
| 153 | W | A | 0.0000 | |
| 154 | L | A | 0.0000 | |
| 155 | G | A | -0.7613 | |
| 156 | H | A | -0.5004 | |
| 157 | T | A | 0.0000 | |
| 158 | N | A | 0.0000 | |
| 159 | A | A | 0.0000 | |
| 160 | T | A | -1.0391 | |
| 161 | V | A | -1.3017 | |
| 162 | E | A | -2.3985 | |
| 163 | D | A | -2.3928 | |
| 164 | I | A | 0.0000 | |
| 165 | Y | A | -1.9347 | |
| 166 | C | A | 0.0000 | |
| 167 | E | A | -3.6101 | |
| 168 | G | A | -3.0101 | |
| 169 | P | A | -2.2595 | |
| 170 | P | A | -2.3187 | |
| 171 | E | A | -2.9828 | |
| 172 | Y | A | -3.1127 | |
| 173 | K | A | -4.2200 | |
| 174 | K | A | -3.8489 | |
| 175 | R | A | -3.4126 | |
| 176 | K | A | -2.3496 | |
| 177 | I | A | 0.0000 | |
| 178 | N | A | -1.4578 | |
| 179 | S | A | -0.9681 | |
| 180 | L | A | -1.0860 | |
| 181 | S | A | -1.2951 | |
| 182 | S | A | -1.7976 | |
| 183 | K | A | -2.7455 | |
| 184 | D | A | -2.5677 | |
| 185 | F | A | 0.0000 | |
| 186 | D | A | -2.0681 | |
| 187 | C | A | 0.0000 | |
| 188 | I | A | 2.0349 | |
| 189 | I | A | 1.9136 | |
| 190 | T | A | 0.0000 | |
| 191 | E | A | -0.1088 | |
| 192 | F | A | 0.0000 | |
| 193 | A | A | -1.0157 | |
| 194 | K | A | -2.3640 | |
| 195 | S | A | -1.4883 | |
| 196 | Q | A | -1.3672 | |
| 197 | D | A | -1.5728 | |
| 198 | L | A | 0.0000 | |
| 199 | P | A | -0.7500 | |
| 200 | Y | A | -0.4794 | |
| 201 | Q | A | -0.7028 | |
| 202 | S | A | 0.0000 | |
| 203 | L | A | 0.2236 | |
| 204 | S | A | -0.1667 | |
| 205 | I | A | 0.0000 | |
| 206 | D | A | -0.4373 | |
| 207 | T | A | -0.3999 | |
| 208 | F | A | 0.0000 | |
| 209 | S | A | -0.5467 | |
| 210 | Y | A | 0.0000 | |
| 211 | L | A | 0.4920 | |
| 212 | N | A | -1.0879 | |
| 213 | D | A | -1.4653 | |
| 214 | E | A | -1.3225 | |
| 215 | Y | A | 0.0000 | |
| 216 | V | A | 0.0000 | |
| 217 | V | A | 0.0000 | |
| 218 | I | A | 0.0000 | |
| 219 | A | A | 0.0000 | |
| 220 | Q | A | 0.0000 | |
| 221 | P | A | 0.8453 | |
| 222 | F | A | 1.7946 | |
| 223 | T | A | 0.5697 | |
| 224 | G | A | 0.0000 | |
| 225 | K | A | -0.5748 | |
| 226 | C | A | 0.0000 | |
| 227 | I | A | -0.6979 | |
| 228 | F | A | 0.0000 | |
| 229 | L | A | 0.0000 | |
| 230 | E | A | -1.8180 | |
| 231 | W | A | 0.0000 | |
| 232 | D | A | -2.2648 | |
| 233 | H | A | -1.7817 | |
| 234 | V | A | -0.3188 | |
| 235 | E | A | -2.3919 | |
| 236 | K | A | -2.7069 | |
| 237 | T | A | -1.9684 | |
| 238 | F | A | 0.0000 | |
| 239 | R | A | -2.5401 | |
| 240 | N | A | -2.1298 | |
| 241 | Y | A | -1.1072 | |
| 242 | D | A | -1.4738 | |
| 243 | N | A | -1.2694 | |
| 244 | I | A | 0.0000 | |
| 245 | T | A | -0.5414 | |
| 246 | G | A | -0.1604 | |
| 247 | T | A | 0.4617 | |
| 248 | S | A | 0.0000 | |
| 249 | T | A | 0.0000 | |
| 250 | V | A | 0.0000 | |
| 251 | V | A | 0.0000 | |
| 252 | C | A | 0.0000 | |
| 253 | K | A | -0.4090 | |
| 254 | P | A | 0.0000 | |
| 255 | I | A | 0.0000 | |
| 256 | V | A | -0.1273 | |
| 257 | I | A | 0.0000 | |
| 258 | E | A | -2.0625 | |
| 259 | T | A | -1.0560 | |
| 260 | Q | A | -1.3206 | |
| 261 | L | A | 0.0000 | |
| 262 | Y | A | 0.0000 | |
| 263 | V | A | 0.0000 | |
| 264 | I | A | 0.0000 | |
| 265 | V | A | 0.0000 | |
| 266 | A | A | 0.0000 | |
| 267 | Q | A | 0.0000 | |
| 268 | L | A | 1.0112 | |
| 269 | F | A | 1.8942 | |
| 270 | G | A | 0.7318 | |
| 271 | G | A | 0.0000 | |
| 272 | S | A | 0.0000 | |
| 273 | H | A | -1.0272 | |
| 274 | I | A | 0.0000 | |
| 275 | Y | A | -0.6883 | |
| 276 | K | A | -0.7817 | |
| 277 | R | A | 0.0000 | |
| 278 | D | A | -0.6994 | |
| 279 | S | A | -0.3345 | |
| 280 | F | A | 1.1306 | |
| 281 | A | A | -0.1177 | |
| 282 | N | A | -1.4153 | |
| 283 | K | A | -1.9187 | |
| 284 | F | A | -1.0406 | |
| 285 | I | A | -0.4257 | |
| 286 | K | A | -1.2583 | |
| 287 | I | A | -0.4596 | |
| 288 | Q | A | -1.2071 | |
| 289 | D | A | -1.9027 | |
| 290 | I | A | 0.0000 | |
| 291 | E | A | -0.0156 | |
| 292 | I | A | 1.7843 | |
| 293 | L | A | 1.7873 | |
| 294 | K | A | 0.4576 | |
| 295 | I | A | 0.0000 | |
| 296 | R | A | -0.3412 | |
| 297 | K | A | -0.7615 | |
| 298 | P | A | 0.0000 | |
| 299 | N | A | -0.8937 | |
| 300 | D | A | -0.6367 | |
| 301 | I | A | 0.0000 | |
| 302 | E | A | -0.3191 | |
| 303 | T | A | -0.3323 | |
| 304 | F | A | 0.0000 | |
| 305 | K | A | -2.0010 | |
| 306 | I | A | 0.0000 | |
| 307 | E | A | -3.0257 | |
| 308 | N | A | -2.6526 | |
| 309 | N | A | -2.2698 | |
| 310 | W | A | -1.3389 | |
| 311 | Y | A | 0.0000 | |
| 312 | F | A | 0.0000 | |
| 313 | V | A | 0.0000 | |
| 314 | V | A | 0.0000 | |
| 315 | A | A | 0.0000 | |
| 316 | D | A | 0.0000 | |
| 317 | S | A | -1.1970 | |
| 318 | S | A | -1.3993 | |
| 319 | K | A | -1.5649 | |
| 320 | A | A | -0.5356 | |
| 321 | G | A | 0.0000 | |
| 322 | F | A | 0.1239 | |
| 323 | T | A | 0.0000 | |
| 324 | T | A | 0.0000 | |
| 325 | I | A | 0.0000 | |
| 326 | Y | A | 0.0000 | |
| 327 | K | A | -0.7432 | |
| 328 | W | A | -1.0704 | |
| 329 | N | A | -1.7944 | |
| 330 | G | A | -1.9254 | |
| 331 | N | A | -1.6727 | |
| 332 | G | A | 0.0000 | |
| 333 | F | A | 0.0000 | |
| 334 | Y | A | 0.2657 | |
| 335 | S | A | -0.0194 | |
| 336 | H | A | -0.2100 | |
| 337 | Q | A | -0.2046 | |
| 338 | S | A | -0.1244 | |
| 339 | L | A | 0.0000 | |
| 340 | H | A | 0.0000 | |
| 341 | A | A | 0.4552 | |
| 342 | W | A | 0.6562 | |
| 343 | Y | A | 0.0179 | |
| 344 | R | A | -1.4278 | |
| 345 | D | A | 0.0000 | |
| 346 | T | A | -0.4565 | |
| 347 | D | A | 0.0000 | |
| 348 | V | A | 0.0000 | |
| 349 | E | A | 0.0000 | |
| 350 | Y | A | -0.2317 | |
| 351 | L | A | 0.0000 | |
| 352 | E | A | -0.8863 | |
| 353 | I | A | 0.0000 | |
| 354 | V | A | -0.5879 | |
| 355 | R | A | -0.9112 | |
| 356 | T | A | -0.7039 | |
| 357 | P | A | -0.7574 | |
| 358 | Q | A | -1.1925 | |
| 359 | T | A | -0.2892 | |
| 360 | L | A | 0.3216 | |
| 361 | R | A | -1.2017 | |
| 362 | T | A | -1.0147 | |
| 363 | P | A | 0.0000 | |
| 364 | H | A | 0.0000 | |
| 365 | L | A | 0.0000 | |
| 366 | I | A | 0.0000 | |
| 367 | L | A | 0.0000 | |
| 368 | S | A | 0.0000 | |
| 369 | S | A | 0.0000 | |
| 370 | S | A | -1.5018 | |
| 371 | S | A | -1.9380 | |
| 372 | Q | A | -2.5740 | |
| 373 | R | A | -3.2541 | |
| 374 | P | A | 0.0000 | |
| 375 | V | A | 0.0000 | |
| 376 | I | A | 0.0000 | |
| 377 | Y | A | 0.0000 | |
| 378 | Q | A | -1.1869 | |
| 379 | W | A | 0.0000 | |
| 380 | N | A | -1.5209 | |
| 381 | K | A | -2.2856 | |
| 382 | A | A | -1.0676 | |
| 383 | T | A | -0.8746 | |
| 384 | Q | A | -1.3352 | |
| 385 | L | A | -0.5575 | |
| 386 | F | A | 0.0000 | |
| 387 | T | A | -1.1139 | |
| 388 | N | A | -1.9406 | |
| 389 | Q | A | -2.2861 | |
| 390 | T | A | -2.0089 | |
| 391 | D | A | -2.7044 | |
| 392 | I | A | 0.0000 | |
| 393 | P | A | -2.0299 | |
| 394 | N | A | -2.3919 | |
| 395 | M | A | 0.0000 | |
| 396 | E | A | -3.4080 | |
| 397 | D | A | -2.7159 | |
| 398 | V | A | 0.0000 | |
| 399 | Y | A | -0.4759 | |
| 400 | A | A | 0.0000 | |
| 401 | V | A | 0.0000 | |
| 402 | K | A | -0.4273 | |
| 403 | H | A | -0.5827 | |
| 404 | F | A | 0.0000 | |
| 405 | S | A | -1.0487 | |
| 406 | V | A | -1.1490 | |
| 407 | K | A | -2.0599 | |
| 408 | G | A | -1.5815 | |
| 409 | D | A | -1.4926 | |
| 410 | V | A | 0.0000 | |
| 411 | Y | A | 0.0000 | |
| 412 | I | A | 0.0000 | |
| 413 | C | A | 0.0000 | |
| 414 | L | A | 0.0000 | |
| 415 | T | A | 0.0000 | |
| 416 | R | A | -0.4721 | |
| 417 | F | A | 0.6205 | |
| 418 | I | A | 1.1472 | |
| 419 | G | A | -0.4032 | |
| 420 | D | A | -1.5453 | |
| 421 | S | A | 0.0000 | |
| 422 | K | A | 0.0000 | |
| 423 | V | A | 0.0000 | |
| 424 | M | A | 0.0000 | |
| 425 | K | A | -1.4513 | |
| 426 | W | A | 0.0000 | |
| 427 | G | A | -1.2663 | |
| 428 | G | A | -0.9077 | |
| 429 | S | A | -0.6919 | |
| 430 | S | A | -1.1386 | |
| 431 | F | A | 0.0000 | |
| 432 | Q | A | -2.1882 | |
| 433 | D | A | -2.3073 | |
| 434 | I | A | -1.2574 | |
| 435 | Q | A | -1.6884 | |
| 436 | R | A | -2.5203 | |
| 437 | M | A | 0.0000 | |
| 438 | P | A | -1.1413 | |
| 439 | S | A | 0.0000 | |
| 440 | R | A | -0.6133 | |
| 441 | G | A | 0.0000 | |
| 442 | S | A | 0.0000 | |
| 443 | M | A | 0.1712 | |
| 444 | V | A | 0.0000 | |
| 445 | F | A | 0.0000 | |
| 446 | Q | A | -0.3519 | |
| 447 | P | A | 0.0000 | |
| 448 | L | A | 0.0000 | |
| 449 | Q | A | -1.7743 | |
| 450 | I | A | 0.0000 | |
| 451 | N | A | -2.3209 | |
| 452 | N | A | -2.0087 | |
| 453 | Y | A | -1.1503 | |
| 454 | Q | A | 0.0000 | |
| 455 | Y | A | 0.0000 | |
| 456 | A | A | 0.0000 | |
| 457 | I | A | 0.0000 | |
| 458 | L | A | 0.0000 | |
| 459 | G | A | 0.0000 | |
| 460 | S | A | 0.0000 | |
| 461 | D | A | -0.2460 | |
| 462 | Y | A | 0.6971 | |
| 463 | S | A | 0.0807 | |
| 464 | F | A | 0.1634 | |
| 465 | T | A | 0.0000 | |
| 466 | Q | A | -0.9196 | |
| 467 | V | A | 0.0000 | |
| 468 | Y | A | 0.0000 | |
| 469 | N | A | -0.6594 | |
| 470 | W | A | 0.0000 | |
| 471 | D | A | -1.6497 | |
| 472 | A | A | -1.8125 | |
| 473 | E | A | -2.8117 | |
| 474 | K | A | -2.7905 | |
| 475 | A | A | -1.6222 | |
| 476 | K | A | -1.6286 | |
| 477 | F | A | 0.0000 | |
| 478 | V | A | -0.6495 | |
| 479 | K | A | -1.5752 | |
| 480 | F | A | -0.8101 | |
| 481 | Q | A | -1.1859 | |
| 482 | E | A | -1.8170 | |
| 483 | L | A | 0.0000 | |
| 484 | N | A | -1.6675 | |
| 485 | V | A | 0.0000 | |
| 486 | Q | A | -1.7083 | |
| 487 | A | A | 0.0000 | |
| 488 | P | A | 0.0000 | |
| 489 | R | A | -0.4446 | |
| 490 | S | A | -0.1399 | |
| 491 | F | A | 0.0000 | |
| 492 | T | A | -0.2472 | |
| 493 | H | A | -0.5942 | |
| 494 | V | A | 0.0000 | |
| 495 | S | A | -1.5008 | |
| 496 | I | A | 0.0000 | |
| 497 | N | A | -2.7603 | |
| 498 | K | A | -3.0457 | |
| 499 | R | A | -2.5169 | |
| 500 | N | A | -1.6957 | |
| 501 | F | A | 0.0000 | |
| 502 | L | A | 0.0000 | |
| 503 | F | A | 0.0000 | |
| 504 | A | A | 0.0000 | |
| 505 | S | A | 0.0000 | |
| 506 | S | A | 0.0000 | |
| 507 | F | A | -0.5508 | |
| 508 | K | A | -2.0551 | |
| 509 | G | A | -1.6556 | |
| 510 | N | A | -1.5286 | |
| 511 | T | A | 0.0000 | |
| 512 | Q | A | 0.0000 | |
| 513 | I | A | 0.0000 | |
| 514 | Y | A | 0.0000 | |
| 515 | K | A | -1.2697 | |
| 516 | H | A | 0.0000 | |
| 517 | V | A | 0.9781 | |
| 518 | I | A | 2.6946 | |
| 519 | V | A | 2.0004 | |
| 520 | D | A | 0.9016 | |
| 521 | L | A | 0.3437 | |
| 522 | S | A | 0.0000 | |
| 523 | A | A | -0.1563 | |
| 1 | Q | B | -1.7552 | |
| 2 | V | B | -1.4533 | |
| 3 | Q | B | -1.6073 | |
| 4 | L | B | 0.0000 | |
| 5 | V | B | -0.1608 | |
| 6 | Q | B | 0.0000 | |
| 7 | S | B | -0.6062 | |
| 8 | G | B | -0.5362 | |
| 9 | A | B | 0.2128 | |
| 10 | E | B | -0.1261 | |
| 11 | V | B | 0.9000 | |
| 12 | K | B | -1.0358 | |
| 13 | K | B | -2.1402 | |
| 14 | P | B | -2.1807 | |
| 15 | G | B | -1.5493 | |
| 16 | A | B | -1.2425 | |
| 17 | S | B | -1.4009 | |
| 18 | V | B | 0.0000 | |
| 19 | K | B | -2.1739 | |
| 20 | V | B | 0.0000 | |
| 21 | S | B | -0.7327 | |
| 22 | C | B | 0.0000 | |
| 23 | K | B | -0.8156 | |
| 24 | A | B | 0.0000 | |
| 25 | S | B | -1.3643 | |
| 26 | R | B | -2.2404 | |
| 27 | Y | B | -0.9361 | |
| 28 | T | B | -0.1375 | |
| 29 | F | B | 0.0000 | |
| 30 | I | B | 0.3402 | |
| 31 | S | B | 0.2175 | |
| 32 | Y | B | 0.4993 | |
| 33 | D | B | 0.0000 | |
| 34 | I | B | 0.0000 | |
| 35 | N | B | 0.0000 | |
| 36 | W | B | 0.0000 | |
| 37 | V | B | 0.0000 | |
| 38 | R | B | 0.0000 | |
| 39 | Q | B | -0.5165 | |
| 40 | A | B | -0.9108 | |
| 41 | P | B | -0.9257 | |
| 42 | G | B | -1.2149 | |
| 43 | Q | B | -1.7405 | |
| 44 | G | B | -1.2009 | |
| 45 | L | B | 0.0000 | |
| 46 | E | B | -0.6291 | |
| 47 | W | B | 0.0000 | |
| 48 | M | B | 0.0000 | |
| 49 | G | B | 0.0000 | |
| 50 | W | B | 0.0000 | |
| 51 | M | B | 0.0000 | |
| 52 | N | B | 0.0000 | |
| 53 | P | B | 0.0000 | |
| 54 | N | B | -0.8246 | |
| 55 | N | B | -1.2572 | |
| 56 | G | B | -0.9854 | |
| 57 | N | B | -0.8677 | |
| 58 | T | B | -0.3722 | |
| 59 | G | B | 0.0000 | |
| 60 | Y | B | -0.9567 | |
| 61 | A | B | -1.4966 | |
| 62 | Q | B | -2.6225 | |
| 63 | R | B | -2.9586 | |
| 64 | F | B | 0.0000 | |
| 65 | Q | B | -2.6754 | |
| 66 | D | B | -2.8184 | |
| 67 | R | B | -1.9197 | |
| 68 | V | B | 0.0000 | |
| 69 | T | B | -0.9648 | |
| 70 | M | B | 0.0000 | |
| 71 | T | B | -0.5822 | |
| 72 | R | B | -0.9361 | |
| 73 | N | B | -0.8074 | |
| 74 | T | B | -0.3336 | |
| 75 | S | B | -0.0181 | |
| 76 | I | B | 0.4995 | |
| 77 | N | B | -0.3744 | |
| 78 | T | B | 0.0000 | |
| 79 | A | B | 0.0000 | |
| 80 | Y | B | -0.8361 | |
| 81 | M | B | 0.0000 | |
| 82 | E | B | -1.6354 | |
| 83 | L | B | 0.0000 | |
| 84 | S | B | -1.2916 | |
| 85 | S | B | -1.2675 | |
| 86 | L | B | 0.0000 | |
| 87 | R | B | -2.8646 | |
| 88 | S | B | -2.2749 | |
| 89 | E | B | -2.5011 | |
| 90 | D | B | 0.0000 | |
| 91 | T | B | -0.6206 | |
| 92 | A | B | 0.0000 | |
| 93 | V | B | 0.5031 | |
| 94 | Y | B | 0.0000 | |
| 95 | Y | B | 0.0000 | |
| 96 | C | B | 0.0000 | |
| 97 | A | B | 0.0000 | |
| 98 | R | B | 0.0000 | |
| 99 | G | B | 0.0000 | |
| 100 | T | B | -0.0093 | |
| 101 | T | B | 0.0000 | |
| 102 | V | B | 0.0000 | |
| 103 | T | B | 0.0000 | |
| 104 | N | B | -0.4581 | |
| 105 | F | B | 0.0000 | |
| 106 | D | B | -0.4596 | |
| 107 | S | B | 0.0000 | |
| 108 | W | B | -0.2616 | |
| 109 | G | B | 0.0000 | |
| 110 | Q | B | -1.2902 | |
| 111 | G | B | -0.4542 | |
| 112 | T | B | 0.0000 | |
| 113 | L | B | 0.8906 | |
| 114 | V | B | 0.0000 | |
| 115 | T | B | -0.1192 | |
| 116 | V | B | 0.0000 | |
| 117 | S | B | -0.9977 | |
| 118 | S | B | -0.9544 | |
| 119 | A | B | -0.2652 | |
| 1 | S | C | -1.1679 | |
| 2 | Y | C | -1.1259 | |
| 3 | E | C | -2.0655 | |
| 4 | L | C | 0.0000 | |
| 5 | T | C | -0.8573 | |
| 6 | Q | C | 0.0000 | |
| 7 | P | C | -0.4754 | |
| 8 | P | C | -0.7961 | |
| 9 | S | C | -0.7754 | |
| 10 | V | C | -0.6385 | |
| 11 | S | C | -0.2317 | |
| 12 | V | C | 0.0000 | |
| 13 | A | C | -0.1821 | |
| 14 | P | C | -0.9072 | |
| 15 | G | C | -1.5168 | |
| 16 | Q | C | -1.7410 | |
| 17 | T | C | -1.4682 | |
| 18 | A | C | 0.0000 | |
| 19 | R | C | -1.8800 | |
| 20 | I | C | 0.0000 | |
| 21 | T | C | -0.5546 | |
| 22 | C | C | 0.0000 | |
| 23 | S | C | -0.8875 | |
| 24 | G | C | -1.5674 | |
| 25 | D | C | -2.4400 | |
| 26 | A | C | -1.6738 | |
| 27 | I | C | 0.0000 | |
| 28 | P | C | -1.3738 | |
| 29 | N | C | -2.0155 | |
| 30 | H | C | 0.0000 | |
| 31 | Y | C | -0.6253 | |
| 32 | V | C | 0.0000 | |
| 33 | Y | C | 0.0000 | |
| 34 | W | C | 0.0000 | |
| 35 | Y | C | 0.0000 | |
| 36 | Q | C | 0.0000 | |
| 37 | Q | C | 0.0000 | |
| 38 | K | C | -1.5512 | |
| 39 | P | C | -1.2982 | |
| 40 | G | C | -1.2965 | |
| 41 | Q | C | -1.5730 | |
| 42 | A | C | -0.8034 | |
| 43 | P | C | 0.0000 | |
| 44 | V | C | 0.6117 | |
| 45 | M | C | 0.0000 | |
| 46 | L | C | 0.0000 | |
| 47 | I | C | 0.0000 | |
| 48 | Y | C | -0.9884 | |
| 49 | E | C | -1.2644 | |
| 50 | D | C | -1.3750 | |
| 51 | N | C | -2.1888 | |
| 52 | E | C | -2.1101 | |
| 53 | R | C | -1.9586 | |
| 54 | P | C | -0.8336 | |
| 55 | S | C | -0.6777 | |
| 56 | G | C | -0.8196 | |
| 57 | I | C | -0.6642 | |
| 58 | P | C | -1.2801 | |
| 59 | E | C | -2.2221 | |
| 60 | R | C | -1.3721 | |
| 61 | F | C | 0.0000 | |
| 62 | S | C | -1.5518 | |
| 63 | G | C | 0.0000 | |
| 64 | S | C | -1.0163 | |
| 65 | S | C | -0.8745 | |
| 66 | S | C | -0.6527 | |
| 67 | G | C | -1.0924 | |
| 68 | T | C | -1.1710 | |
| 69 | T | C | -0.6858 | |
| 70 | V | C | 0.0000 | |
| 71 | T | C | -0.8543 | |
| 72 | L | C | 0.0000 | |
| 73 | T | C | -0.9462 | |
| 74 | I | C | 0.0000 | |
| 75 | S | C | -1.4862 | |
| 76 | G | C | -1.2840 | |
| 77 | V | C | 0.0000 | |
| 78 | Q | C | -1.6478 | |
| 79 | A | C | -0.8369 | |
| 80 | G | C | -1.2293 | |
| 81 | D | C | 0.0000 | |
| 82 | E | C | -1.7317 | |
| 83 | A | C | 0.0000 | |
| 84 | D | C | -1.5833 | |
| 85 | Y | C | 0.0000 | |
| 86 | Y | C | 0.0000 | |
| 87 | C | C | 0.0000 | |
| 88 | H | C | 0.0000 | |
| 89 | S | C | 0.0000 | |
| 90 | A | C | 0.0000 | |
| 91 | G | C | 0.0000 | |
| 92 | R | C | -0.4281 | |
| 93 | S | C | -0.5656 | |
| 94 | G | C | -0.5350 | |
| 95 | S | C | -0.6274 | |
| 96 | Y | C | -0.3807 | |
| 97 | N | C | -0.3406 | |
| 98 | V | C | 0.0000 | |
| 99 | A | C | 0.0000 | |
| 100 | V | C | -0.1829 | |
| 101 | F | C | -0.2190 | |
| 102 | G | C | 0.0000 | |
| 103 | G | C | -1.1709 | |
| 104 | G | C | -0.9852 | |
| 105 | T | C | 0.0000 | |
| 106 | K | C | -1.7923 | |
| 107 | L | C | 0.0000 | |
| 108 | T | C | -0.2964 | |
| 109 | V | C | -0.0289 | |
| 110 | L | C | 1.3149 |
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 | -0.6459 | 4.2826 | View | CSV | PDB |
| 4.5 | -0.6874 | 4.283 | View | CSV | PDB |
| 5.0 | -0.7369 | 4.2858 | View | CSV | PDB |
| 5.5 | -0.7834 | 4.2969 | View | CSV | PDB |
| 6.0 | -0.8152 | 4.3162 | View | CSV | PDB |
| 6.5 | -0.825 | 4.3417 | View | CSV | PDB |
| 7.0 | -0.814 | 4.3701 | View | CSV | PDB |
| 7.5 | -0.7896 | 4.3996 | View | CSV | PDB |
| 8.0 | -0.7578 | 4.4293 | View | CSV | PDB |
| 8.5 | -0.7205 | 4.4589 | View | CSV | PDB |
| 9.0 | -0.6775 | 4.4877 | 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