| Chain sequence(s) |
A: KKPAKPKCPAVCTCTKDNALCENARSIPRTVPPDVISLSFVRSGFTEISEGSFLFTPSLQLLLFTSNSFDVISDDAFIGLPHLEYLFIENNNIKSISRHTFRGLKSLIHLSLANNNLQTLPKDIFKGLDSLTNVDLRGNSFNCDCKLKWLVEWLGHTNATVEDIYCEGPPEYKKRKINSLSSKDFDCIITEFAKSQDLPYQSLSIDTFSYLNDEYVVIAQPFTGKCIFLEWDHVEKTFRNYDNITGTSTVVCKPIVIETQLYVIVAQLFGGSHIYKRDSFANKFIKIQDIEILKIRKPNDIETFKIENNWYFVVADSSKAGFTTIYKWNGNGFYSHQSLHAWYRDTDVEYLEIVRTPQTLRTPHLILSSSSQRPVIYQWNKATQLFTNQTDIPNMEDVYAVKHFSVKGDVYICLTRFIGDSKVMKWGGSSFQDIQRMPSRGSMVFQPLQINNYQYAILGSDYSFTQVYNWDAEKAKFVKFQELNVQAPRSFTHVSINKRNFLFASSFKGNTQIYKHVIVDLSA
C: DIQMTQSPSTLSASVGDRVTITCRASQSISSWLAWYQQKPGNAPKLLIYKSSTLESGVPSRFSGSGSGTVFTLTINSLQPDDFATYYCQQYDSFSRTFGQGTKLDIK B: QVQLVESGGGLVKPGGSLRLSCVASGFTFSDHFMSWVRQAPGKGLEWISYISSSGITMYYADSVKGRFTISRDNANNSLYLQMNSLRAEDTAMYYCARAPSHSSAWYLDYWGQGTLVTVSSA 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 (00:08:46)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/4ef70951b16d181/tmp/folded.pdb (00:08:46)
[INFO] Main: Simulation completed successfully. (00:19:57)
|
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 | -2.5754 | |
| 2 | K | A | -2.8888 | |
| 3 | P | A | -1.9680 | |
| 4 | A | A | -1.9518 | |
| 5 | K | A | -2.5039 | |
| 6 | P | A | -2.0737 | |
| 7 | K | A | -2.0579 | |
| 8 | C | A | -0.6322 | |
| 9 | P | A | -0.3068 | |
| 10 | A | A | 0.1743 | |
| 11 | V | A | 0.2247 | |
| 12 | C | A | 0.0826 | |
| 13 | T | A | 0.1793 | |
| 14 | C | A | -0.4043 | |
| 15 | T | A | -0.9074 | |
| 16 | K | A | -2.0774 | |
| 17 | D | A | -1.3773 | |
| 18 | N | A | -0.6496 | |
| 19 | A | A | 0.0000 | |
| 20 | L | A | 0.1183 | |
| 21 | C | A | 0.0000 | |
| 22 | E | A | -1.3787 | |
| 23 | N | A | -1.6561 | |
| 24 | A | A | 0.0000 | |
| 25 | R | A | -2.3683 | |
| 26 | S | A | -1.6798 | |
| 27 | I | A | 0.0000 | |
| 28 | P | A | -1.0695 | |
| 29 | R | A | -1.7269 | |
| 30 | T | A | -1.2992 | |
| 31 | V | A | 0.0000 | |
| 32 | P | A | 0.0000 | |
| 33 | P | A | -0.9898 | |
| 34 | D | A | -1.5458 | |
| 35 | V | A | 0.0000 | |
| 36 | I | A | -0.5057 | |
| 37 | S | A | 0.0000 | |
| 38 | L | A | 0.0000 | |
| 39 | S | A | 0.0000 | |
| 40 | F | A | 0.0000 | |
| 41 | V | A | 0.0000 | |
| 42 | R | A | -1.1853 | |
| 43 | S | A | -1.5710 | |
| 44 | G | A | -1.9240 | |
| 45 | F | A | 0.0000 | |
| 46 | T | A | -1.7287 | |
| 47 | E | A | -1.9973 | |
| 48 | I | A | 0.0000 | |
| 49 | S | A | -1.5630 | |
| 50 | E | A | -2.1687 | |
| 51 | G | A | -0.5904 | |
| 52 | S | A | 0.0000 | |
| 53 | F | A | 0.0000 | |
| 54 | L | A | 0.7771 | |
| 55 | F | A | 0.0637 | |
| 56 | T | A | 0.0000 | |
| 57 | P | A | -0.1442 | |
| 58 | S | A | -0.6208 | |
| 59 | L | A | 0.0000 | |
| 60 | Q | A | -0.6316 | |
| 61 | L | A | 0.0000 | |
| 62 | L | A | 0.0000 | |
| 63 | L | A | 0.0000 | |
| 64 | F | A | 0.0000 | |
| 65 | T | A | 0.0000 | |
| 66 | S | A | -0.4649 | |
| 67 | N | A | 0.0000 | |
| 68 | S | A | -1.3437 | |
| 69 | F | A | 0.0000 | |
| 70 | D | A | -1.9925 | |
| 71 | V | A | -1.1912 | |
| 72 | I | A | 0.0000 | |
| 73 | S | A | -1.5650 | |
| 74 | D | A | -2.0988 | |
| 75 | D | A | -1.9745 | |
| 76 | A | A | 0.0000 | |
| 77 | F | A | 0.0000 | |
| 78 | I | A | -0.3948 | |
| 79 | G | A | -0.1909 | |
| 80 | L | A | 0.0000 | |
| 81 | P | A | -1.2134 | |
| 82 | H | A | -1.5880 | |
| 83 | L | A | 0.0000 | |
| 84 | E | A | -0.9338 | |
| 85 | Y | A | -0.2025 | |
| 86 | L | A | 0.0000 | |
| 87 | F | A | 0.0000 | |
| 88 | I | A | 0.0000 | |
| 89 | E | A | 0.0000 | |
| 90 | N | A | 0.0000 | |
| 91 | N | A | 0.0000 | |
| 92 | N | A | -1.7942 | |
| 93 | I | A | 0.0000 | |
| 94 | K | A | -2.5117 | |
| 95 | S | A | -1.5882 | |
| 96 | I | A | 0.0000 | |
| 97 | S | A | -1.0499 | |
| 98 | R | A | -2.4696 | |
| 99 | H | A | -2.6806 | |
| 100 | T | A | 0.0000 | |
| 101 | F | A | 0.0000 | |
| 102 | R | A | -2.9865 | |
| 103 | G | A | -1.8344 | |
| 104 | L | A | 0.0000 | |
| 105 | K | A | -2.8770 | |
| 106 | S | A | -1.6455 | |
| 107 | L | A | 0.0000 | |
| 108 | I | A | -0.3007 | |
| 109 | H | A | 0.0000 | |
| 110 | L | A | 0.0000 | |
| 111 | S | A | 0.0000 | |
| 112 | L | A | 0.0000 | |
| 113 | A | A | 0.0000 | |
| 114 | N | A | 0.0000 | |
| 115 | N | A | 0.0000 | |
| 116 | N | A | -1.7547 | |
| 117 | L | A | 0.0000 | |
| 118 | Q | A | -2.0079 | |
| 119 | T | A | -1.4863 | |
| 120 | L | A | 0.0000 | |
| 121 | P | A | -1.4006 | |
| 122 | K | A | -2.0001 | |
| 123 | D | A | -2.2567 | |
| 124 | I | A | 0.0000 | |
| 125 | F | A | 0.0000 | |
| 126 | K | A | -3.1872 | |
| 127 | G | A | -2.8649 | |
| 128 | L | A | 0.0000 | |
| 129 | D | A | -2.8331 | |
| 130 | S | A | -1.5722 | |
| 131 | L | A | 0.0000 | |
| 132 | T | A | -0.5130 | |
| 133 | N | A | -0.3300 | |
| 134 | V | A | 0.0000 | |
| 135 | D | A | 0.0000 | |
| 136 | L | A | 0.0000 | |
| 137 | R | A | -0.8604 | |
| 138 | G | A | -0.6078 | |
| 139 | N | A | -1.2517 | |
| 140 | S | A | -1.5698 | |
| 141 | F | A | 0.0000 | |
| 142 | N | A | -1.8278 | |
| 143 | C | A | 0.0000 | |
| 144 | D | A | -1.6215 | |
| 145 | C | A | -1.3411 | |
| 146 | K | A | -1.9964 | |
| 147 | L | A | 0.0000 | |
| 148 | K | A | -1.6573 | |
| 149 | W | A | 0.0000 | |
| 150 | L | A | 0.0000 | |
| 151 | V | A | 0.0000 | |
| 152 | E | A | -1.6309 | |
| 153 | W | A | -1.3721 | |
| 154 | L | A | -0.8973 | |
| 155 | G | A | -1.4619 | |
| 156 | H | A | -1.6572 | |
| 157 | T | A | -1.4864 | |
| 158 | N | A | -1.7818 | |
| 159 | A | A | 0.0000 | |
| 160 | T | A | -0.5639 | |
| 161 | V | A | -0.6598 | |
| 162 | E | A | -1.2131 | |
| 163 | D | A | -1.4231 | |
| 164 | I | A | 0.0000 | |
| 165 | Y | A | -1.8772 | |
| 166 | C | A | 0.0000 | |
| 167 | E | A | -3.3370 | |
| 168 | G | A | -2.6610 | |
| 169 | P | A | -1.9227 | |
| 170 | P | A | -2.2345 | |
| 171 | E | A | -2.9755 | |
| 172 | Y | A | -3.0937 | |
| 173 | K | A | -4.1906 | |
| 174 | K | A | -3.9654 | |
| 175 | R | A | -3.7296 | |
| 176 | K | A | -2.4619 | |
| 177 | I | A | 0.0000 | |
| 178 | N | A | -1.4041 | |
| 179 | S | A | -1.0134 | |
| 180 | L | A | -1.2573 | |
| 181 | S | A | -1.4137 | |
| 182 | S | A | -1.8453 | |
| 183 | K | A | -2.7757 | |
| 184 | D | A | -2.4026 | |
| 185 | F | A | 0.0000 | |
| 186 | D | A | -1.8747 | |
| 187 | C | A | 0.0000 | |
| 188 | I | A | 2.1294 | |
| 189 | I | A | 2.0546 | |
| 190 | T | A | 1.5544 | |
| 191 | E | A | -0.2354 | |
| 192 | F | A | 0.0000 | |
| 193 | A | A | -1.1041 | |
| 194 | K | A | -2.2995 | |
| 195 | S | A | -1.4055 | |
| 196 | Q | A | -1.3335 | |
| 197 | D | A | -1.4949 | |
| 198 | L | A | 0.0000 | |
| 199 | P | A | -0.7475 | |
| 200 | Y | A | -0.4678 | |
| 201 | Q | A | -0.7022 | |
| 202 | S | A | 0.0000 | |
| 203 | L | A | 0.2248 | |
| 204 | S | A | -0.1523 | |
| 205 | I | A | 0.0000 | |
| 206 | D | A | -0.4096 | |
| 207 | T | A | -0.3933 | |
| 208 | F | A | 0.0000 | |
| 209 | S | A | -0.7062 | |
| 210 | Y | A | 0.0000 | |
| 211 | L | A | 0.2606 | |
| 212 | N | A | -1.3476 | |
| 213 | D | A | -2.0302 | |
| 214 | E | A | -1.6529 | |
| 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 | 0.8704 | |
| 222 | F | A | 1.8351 | |
| 223 | T | A | 0.6234 | |
| 224 | G | A | 0.0000 | |
| 225 | K | A | -0.3879 | |
| 226 | C | A | 0.0000 | |
| 227 | I | A | -0.6999 | |
| 228 | F | A | 0.0000 | |
| 229 | L | A | 0.0000 | |
| 230 | E | A | -2.1469 | |
| 231 | W | A | 0.0000 | |
| 232 | D | A | -2.0851 | |
| 233 | H | A | -1.6306 | |
| 234 | V | A | -0.2157 | |
| 235 | E | A | -2.3652 | |
| 236 | K | A | -2.6665 | |
| 237 | T | A | -2.0520 | |
| 238 | F | A | 0.0000 | |
| 239 | R | A | -3.1243 | |
| 240 | N | A | -2.4270 | |
| 241 | Y | A | -1.3375 | |
| 242 | D | A | -1.5217 | |
| 243 | N | A | -1.2066 | |
| 244 | I | A | 0.0000 | |
| 245 | T | A | -0.5159 | |
| 246 | G | A | -0.2962 | |
| 247 | T | A | 0.5440 | |
| 248 | S | A | 0.9450 | |
| 249 | T | A | 0.0000 | |
| 250 | V | A | 0.0000 | |
| 251 | V | A | 0.0000 | |
| 252 | C | A | 0.0000 | |
| 253 | K | A | -0.4071 | |
| 254 | P | A | 0.0000 | |
| 255 | I | A | 0.0000 | |
| 256 | V | A | -0.3317 | |
| 257 | I | A | 0.0000 | |
| 258 | E | A | -1.9751 | |
| 259 | T | A | -1.0633 | |
| 260 | Q | A | -1.2458 | |
| 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 | 1.0024 | |
| 269 | F | A | 1.8421 | |
| 270 | G | A | 0.6438 | |
| 271 | G | A | 0.0000 | |
| 272 | S | A | 0.0000 | |
| 273 | H | A | -1.2616 | |
| 274 | I | A | 0.0000 | |
| 275 | Y | A | -0.8021 | |
| 276 | K | A | -0.8308 | |
| 277 | R | A | 0.0000 | |
| 278 | D | A | -0.6455 | |
| 279 | S | A | -0.1331 | |
| 280 | F | A | 1.1585 | |
| 281 | A | A | -0.0698 | |
| 282 | N | A | -1.3283 | |
| 283 | K | A | -1.6119 | |
| 284 | F | A | -1.0599 | |
| 285 | I | A | -0.6214 | |
| 286 | K | A | -1.4265 | |
| 287 | I | A | -0.6310 | |
| 288 | Q | A | -1.4080 | |
| 289 | D | A | -2.2775 | |
| 290 | I | A | 0.0000 | |
| 291 | E | A | -1.3657 | |
| 292 | I | A | 0.6922 | |
| 293 | L | A | 1.1996 | |
| 294 | K | A | -0.0172 | |
| 295 | I | A | 0.0000 | |
| 296 | R | A | -0.5086 | |
| 297 | K | A | -0.7268 | |
| 298 | P | A | 0.0000 | |
| 299 | N | A | -0.8327 | |
| 300 | D | A | -0.5970 | |
| 301 | I | A | 0.0000 | |
| 302 | E | A | -0.3260 | |
| 303 | T | A | -0.2911 | |
| 304 | F | A | 0.0000 | |
| 305 | K | A | -1.6654 | |
| 306 | I | A | 0.0000 | |
| 307 | E | A | -2.9224 | |
| 308 | N | A | -2.5093 | |
| 309 | N | A | -2.0007 | |
| 310 | W | A | -1.1432 | |
| 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 | -1.2362 | |
| 318 | S | A | -1.4029 | |
| 319 | K | A | -1.5484 | |
| 320 | A | A | -0.5374 | |
| 321 | G | A | 0.0000 | |
| 322 | F | A | 0.1891 | |
| 323 | T | A | 0.0000 | |
| 324 | T | A | 0.0000 | |
| 325 | I | A | 0.0000 | |
| 326 | Y | A | 0.0000 | |
| 327 | K | A | -0.5216 | |
| 328 | W | A | -0.9461 | |
| 329 | N | A | -1.7221 | |
| 330 | G | A | -1.7086 | |
| 331 | N | A | -1.6813 | |
| 332 | G | A | 0.0000 | |
| 333 | F | A | 0.0000 | |
| 334 | Y | A | 0.3195 | |
| 335 | S | A | -0.1820 | |
| 336 | H | A | -0.2136 | |
| 337 | Q | A | -0.1712 | |
| 338 | S | A | -0.1162 | |
| 339 | L | A | 0.0000 | |
| 340 | H | A | 0.0000 | |
| 341 | A | A | 0.4375 | |
| 342 | W | A | 0.6054 | |
| 343 | Y | A | -0.0917 | |
| 344 | R | A | -1.6119 | |
| 345 | D | A | 0.0000 | |
| 346 | T | A | 0.0000 | |
| 347 | D | A | 0.0000 | |
| 348 | V | A | 0.0000 | |
| 349 | E | A | 0.0000 | |
| 350 | Y | A | -0.2119 | |
| 351 | L | A | 0.0000 | |
| 352 | E | A | -0.9059 | |
| 353 | I | A | 0.0000 | |
| 354 | V | A | -0.6497 | |
| 355 | R | A | -1.0038 | |
| 356 | T | A | -0.7639 | |
| 357 | P | A | -0.7980 | |
| 358 | Q | A | -1.2557 | |
| 359 | T | A | -0.4326 | |
| 360 | L | A | -0.0040 | |
| 361 | R | A | -1.2612 | |
| 362 | T | A | -1.0474 | |
| 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 | -1.5014 | |
| 371 | S | A | -1.8772 | |
| 372 | Q | A | -2.3804 | |
| 373 | R | A | -2.8723 | |
| 374 | P | A | 0.0000 | |
| 375 | V | A | 0.0000 | |
| 376 | I | A | 0.0000 | |
| 377 | Y | A | 0.0000 | |
| 378 | Q | A | -1.1861 | |
| 379 | W | A | 0.0000 | |
| 380 | N | A | -1.4199 | |
| 381 | K | A | -2.1691 | |
| 382 | A | A | -0.9693 | |
| 383 | T | A | -0.7212 | |
| 384 | Q | A | -1.0120 | |
| 385 | L | A | -0.4256 | |
| 386 | F | A | 0.0000 | |
| 387 | T | A | -1.0856 | |
| 388 | N | A | -1.9387 | |
| 389 | Q | A | -2.2804 | |
| 390 | T | A | -1.9742 | |
| 391 | D | A | -2.6116 | |
| 392 | I | A | 0.0000 | |
| 393 | P | A | -1.8782 | |
| 394 | N | A | -2.2678 | |
| 395 | M | A | 0.0000 | |
| 396 | E | A | -3.0523 | |
| 397 | D | A | -2.7036 | |
| 398 | V | A | 0.0000 | |
| 399 | Y | A | -0.3842 | |
| 400 | A | A | 0.0000 | |
| 401 | V | A | 0.0000 | |
| 402 | K | A | -0.4259 | |
| 403 | H | A | -0.5684 | |
| 404 | F | A | 0.0000 | |
| 405 | S | A | -1.1077 | |
| 406 | V | A | -1.3311 | |
| 407 | K | A | -2.1211 | |
| 408 | G | A | -1.6760 | |
| 409 | D | A | -1.6676 | |
| 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 | -0.3559 | |
| 417 | F | A | 0.6792 | |
| 418 | I | A | 0.7861 | |
| 419 | G | A | -0.5278 | |
| 420 | D | A | -1.3502 | |
| 421 | S | A | 0.0000 | |
| 422 | K | A | 0.0000 | |
| 423 | V | A | 0.0000 | |
| 424 | M | A | 0.0000 | |
| 425 | K | A | -1.5252 | |
| 426 | W | A | 0.0000 | |
| 427 | G | A | -1.3266 | |
| 428 | G | A | -0.9419 | |
| 429 | S | A | -0.7139 | |
| 430 | S | A | -1.3182 | |
| 431 | F | A | 0.0000 | |
| 432 | Q | A | -2.3320 | |
| 433 | D | A | -2.6524 | |
| 434 | I | A | -1.3941 | |
| 435 | Q | A | -1.7553 | |
| 436 | R | A | -2.5064 | |
| 437 | M | A | 0.0000 | |
| 438 | P | A | -1.0602 | |
| 439 | S | A | 0.0000 | |
| 440 | R | A | -0.4706 | |
| 441 | G | A | 0.0000 | |
| 442 | S | A | 0.0000 | |
| 443 | M | A | 0.2721 | |
| 444 | V | A | 0.0000 | |
| 445 | F | A | 0.0000 | |
| 446 | Q | A | -0.3614 | |
| 447 | P | A | 0.0000 | |
| 448 | L | A | 0.0000 | |
| 449 | Q | A | -1.6314 | |
| 450 | I | A | 0.0000 | |
| 451 | N | A | -2.1280 | |
| 452 | N | A | -1.8645 | |
| 453 | Y | A | -0.9952 | |
| 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 | -0.1192 | |
| 462 | Y | A | 0.7966 | |
| 463 | S | A | 0.2007 | |
| 464 | F | A | 0.3227 | |
| 465 | T | A | 0.0000 | |
| 466 | Q | A | -0.9385 | |
| 467 | V | A | 0.0000 | |
| 468 | Y | A | 0.0000 | |
| 469 | N | A | -0.5598 | |
| 470 | W | A | 0.0000 | |
| 471 | D | A | -1.6070 | |
| 472 | A | A | -1.7669 | |
| 473 | E | A | -2.7973 | |
| 474 | K | A | -2.7739 | |
| 475 | A | A | -1.5922 | |
| 476 | K | A | -1.5906 | |
| 477 | F | A | 0.0000 | |
| 478 | V | A | -0.6148 | |
| 479 | K | A | -1.5761 | |
| 480 | F | A | -0.8043 | |
| 481 | Q | A | -1.2873 | |
| 482 | E | A | -2.1114 | |
| 483 | L | A | 0.0000 | |
| 484 | N | A | -1.6667 | |
| 485 | V | A | 0.0000 | |
| 486 | Q | A | -1.6692 | |
| 487 | A | A | 0.0000 | |
| 488 | P | A | 0.0000 | |
| 489 | R | A | -0.3882 | |
| 490 | S | A | -0.1140 | |
| 491 | F | A | 0.0000 | |
| 492 | T | A | -0.2411 | |
| 493 | H | A | -0.5261 | |
| 494 | V | A | 0.0000 | |
| 495 | S | A | -1.2991 | |
| 496 | I | A | 0.0000 | |
| 497 | N | A | -2.6411 | |
| 498 | K | A | -2.7742 | |
| 499 | R | A | -1.8889 | |
| 500 | N | A | 0.0000 | |
| 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 | -0.5579 | |
| 508 | K | A | -2.0584 | |
| 509 | G | A | -1.6981 | |
| 510 | N | A | -1.6484 | |
| 511 | T | A | 0.0000 | |
| 512 | Q | A | -1.3949 | |
| 513 | I | A | 0.0000 | |
| 514 | Y | A | 0.0000 | |
| 515 | K | A | -0.7971 | |
| 516 | H | A | 0.0000 | |
| 517 | V | A | 1.1786 | |
| 518 | I | A | 2.7558 | |
| 519 | V | A | 2.0711 | |
| 520 | D | A | 0.8827 | |
| 521 | L | A | 0.4162 | |
| 522 | S | A | -0.6644 | |
| 523 | A | A | -0.2102 | |
| 1 | Q | B | -1.5445 | |
| 2 | V | B | -0.9921 | |
| 3 | Q | B | -1.0273 | |
| 4 | L | B | 0.0000 | |
| 5 | V | B | 1.0085 | |
| 6 | E | B | 0.0000 | |
| 7 | S | B | -0.1514 | |
| 8 | G | B | -0.5883 | |
| 9 | G | B | 0.0245 | |
| 10 | G | B | 0.6065 | |
| 11 | L | B | 1.2727 | |
| 12 | V | B | -0.1873 | |
| 13 | K | B | -1.6941 | |
| 14 | P | B | -1.6331 | |
| 15 | G | B | -1.4468 | |
| 16 | G | B | -1.0645 | |
| 17 | S | B | -1.3034 | |
| 18 | L | B | -0.9842 | |
| 19 | R | B | -1.9523 | |
| 20 | L | B | 0.0000 | |
| 21 | S | B | -0.1452 | |
| 22 | C | B | 0.0000 | |
| 23 | V | B | 0.8954 | |
| 24 | A | B | 0.0000 | |
| 25 | S | B | -0.6804 | |
| 26 | G | B | -1.0810 | |
| 27 | F | B | -0.4776 | |
| 28 | T | B | -0.2768 | |
| 29 | F | B | 0.0000 | |
| 30 | S | B | -0.5465 | |
| 31 | D | B | -0.3422 | |
| 32 | H | B | 0.0000 | |
| 33 | F | B | 0.0000 | |
| 34 | M | B | 0.0000 | |
| 35 | S | B | 0.0000 | |
| 36 | W | B | 0.0000 | |
| 37 | V | B | 0.0000 | |
| 38 | R | B | 0.0000 | |
| 39 | Q | B | -0.7310 | |
| 40 | A | B | -1.1368 | |
| 41 | P | B | -0.8993 | |
| 42 | G | B | -1.4737 | |
| 43 | K | B | -2.3505 | |
| 44 | G | B | -1.6104 | |
| 45 | L | B | 0.0000 | |
| 46 | E | B | -1.0550 | |
| 47 | W | B | 0.0000 | |
| 48 | I | B | 0.0000 | |
| 49 | S | B | 0.0000 | |
| 50 | Y | B | 0.0000 | |
| 51 | I | B | 0.0000 | |
| 52 | S | B | 0.0000 | |
| 53 | S | B | 0.0000 | |
| 54 | S | B | -0.2720 | |
| 55 | G | B | -0.1175 | |
| 56 | I | B | 0.2613 | |
| 57 | T | B | 0.0000 | |
| 58 | M | B | 0.3986 | |
| 59 | Y | B | 0.0269 | |
| 60 | Y | B | -0.6996 | |
| 61 | A | B | -1.5368 | |
| 62 | D | B | -2.6341 | |
| 63 | S | B | -1.7529 | |
| 64 | V | B | 0.0000 | |
| 65 | K | B | -2.4302 | |
| 66 | G | B | -1.7075 | |
| 67 | R | B | -1.5271 | |
| 68 | F | B | 0.0000 | |
| 69 | T | B | -0.7127 | |
| 70 | I | B | 0.0000 | |
| 71 | S | B | -0.2503 | |
| 72 | R | B | -0.7143 | |
| 73 | D | B | -1.2718 | |
| 74 | N | B | -1.4699 | |
| 75 | A | B | -1.1578 | |
| 76 | N | B | -1.6704 | |
| 77 | N | B | -1.2042 | |
| 78 | S | B | 0.0000 | |
| 79 | L | B | 0.0000 | |
| 80 | Y | B | -0.3355 | |
| 81 | L | B | 0.0000 | |
| 82 | Q | B | -1.1395 | |
| 83 | M | B | 0.0000 | |
| 84 | N | B | -1.4718 | |
| 85 | S | B | -1.2878 | |
| 86 | L | B | 0.0000 | |
| 87 | R | B | -2.0995 | |
| 88 | A | B | -1.6294 | |
| 89 | E | B | -2.1420 | |
| 90 | D | B | 0.0000 | |
| 91 | T | B | -0.4174 | |
| 92 | A | B | 0.0000 | |
| 93 | M | B | 0.4174 | |
| 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 | A | B | 0.0000 | |
| 100 | P | B | 0.0000 | |
| 101 | S | B | -0.2144 | |
| 102 | H | B | 0.0000 | |
| 103 | S | B | 0.0000 | |
| 104 | S | B | 0.0000 | |
| 105 | A | B | 0.0000 | |
| 106 | W | B | 0.0000 | |
| 107 | Y | B | 0.1366 | |
| 108 | L | B | 0.0000 | |
| 109 | D | B | -0.2254 | |
| 110 | Y | B | 0.1013 | |
| 111 | W | B | -0.3368 | |
| 112 | G | B | 0.0000 | |
| 113 | Q | B | -1.2614 | |
| 114 | G | B | 0.0000 | |
| 115 | T | B | 0.2961 | |
| 116 | L | B | 1.0505 | |
| 117 | V | B | 0.0000 | |
| 118 | T | B | 0.1915 | |
| 119 | V | B | 0.0000 | |
| 120 | S | B | -0.7630 | |
| 121 | S | B | -0.7418 | |
| 122 | A | B | -0.1732 | |
| 1 | D | C | -2.4868 | |
| 2 | I | C | 0.0000 | |
| 3 | Q | C | -2.2398 | |
| 4 | M | C | 0.0000 | |
| 5 | T | C | -0.9383 | |
| 6 | Q | C | 0.0000 | |
| 7 | S | C | -0.6048 | |
| 8 | P | C | -0.3488 | |
| 9 | S | C | -0.6874 | |
| 10 | T | C | -0.5596 | |
| 11 | L | C | -0.2059 | |
| 12 | S | C | -0.5833 | |
| 13 | A | C | 0.0000 | |
| 14 | S | C | -0.8508 | |
| 15 | V | C | -0.2324 | |
| 16 | G | C | -1.0407 | |
| 17 | D | C | -1.8801 | |
| 18 | R | C | -2.5035 | |
| 19 | V | C | 0.0000 | |
| 20 | T | C | -0.6241 | |
| 21 | I | C | 0.0000 | |
| 22 | T | C | -0.1712 | |
| 23 | C | C | 0.0000 | |
| 24 | R | C | -1.2433 | |
| 25 | A | C | 0.0000 | |
| 26 | S | C | -1.5889 | |
| 27 | Q | C | -1.8625 | |
| 28 | S | C | -0.9179 | |
| 29 | I | C | 0.0000 | |
| 30 | S | C | -0.5133 | |
| 31 | S | C | -0.2885 | |
| 32 | W | C | 0.0000 | |
| 33 | L | C | 0.0000 | |
| 34 | A | C | 0.0000 | |
| 35 | W | C | 0.0000 | |
| 36 | Y | C | 0.0000 | |
| 37 | Q | C | 0.0000 | |
| 38 | Q | C | 0.0000 | |
| 39 | K | C | -1.5793 | |
| 40 | P | C | -1.0880 | |
| 41 | G | C | -1.5140 | |
| 42 | N | C | -2.2172 | |
| 43 | A | C | -1.4643 | |
| 44 | P | C | 0.0000 | |
| 45 | K | C | -1.4547 | |
| 46 | L | C | 0.0000 | |
| 47 | L | C | 0.0000 | |
| 48 | I | C | 0.0000 | |
| 49 | Y | C | 0.0049 | |
| 50 | K | C | -0.3117 | |
| 51 | S | C | 0.0000 | |
| 52 | S | C | -0.3765 | |
| 53 | T | C | -0.0951 | |
| 54 | L | C | 0.0957 | |
| 55 | E | C | -0.5589 | |
| 56 | S | C | -0.5184 | |
| 57 | G | C | -0.5778 | |
| 58 | V | C | -0.4355 | |
| 59 | P | C | -0.3912 | |
| 60 | S | C | -0.4866 | |
| 61 | R | C | -0.9421 | |
| 62 | F | C | 0.0000 | |
| 63 | S | C | -0.3236 | |
| 64 | G | C | -0.2884 | |
| 65 | S | C | -0.3573 | |
| 66 | G | C | -0.3629 | |
| 67 | S | C | -0.3711 | |
| 68 | G | C | -0.4793 | |
| 69 | T | C | -0.4044 | |
| 70 | V | C | 0.4661 | |
| 71 | F | C | 0.0000 | |
| 72 | T | C | -0.1448 | |
| 73 | L | C | 0.0000 | |
| 74 | T | C | -0.6704 | |
| 75 | I | C | 0.0000 | |
| 76 | N | C | -1.7115 | |
| 77 | S | C | -1.3928 | |
| 78 | L | C | 0.0000 | |
| 79 | Q | C | -0.9568 | |
| 80 | P | C | -0.9977 | |
| 81 | D | C | -1.6703 | |
| 82 | D | C | 0.0000 | |
| 83 | F | C | -0.2807 | |
| 84 | A | C | 0.0000 | |
| 85 | T | C | -0.6186 | |
| 86 | Y | C | 0.0000 | |
| 87 | Y | C | 0.0000 | |
| 88 | C | C | 0.0000 | |
| 89 | Q | C | 0.0000 | |
| 90 | Q | C | 0.0000 | |
| 91 | Y | C | 0.0000 | |
| 92 | D | C | 0.0000 | |
| 93 | S | C | 0.0000 | |
| 94 | F | C | 0.0000 | |
| 95 | S | C | -0.6550 | |
| 96 | R | C | 0.0000 | |
| 97 | T | C | -0.8693 | |
| 98 | F | C | 0.0000 | |
| 99 | G | C | 0.0000 | |
| 100 | Q | C | -1.6999 | |
| 101 | G | C | 0.0000 | |
| 102 | T | C | 0.0000 | |
| 103 | K | C | -1.0836 | |
| 104 | L | C | 0.0000 | |
| 105 | D | C | -0.5953 | |
| 106 | I | C | -0.6072 | |
| 107 | K | C | -1.3598 |
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 | -0.6245 | 4.3157 | View | CSV | PDB |
| 4.5 | -0.6638 | 4.3159 | View | CSV | PDB |
| 5.0 | -0.709 | 4.3164 | View | CSV | PDB |
| 5.5 | -0.7498 | 4.3179 | View | CSV | PDB |
| 6.0 | -0.7754 | 4.3221 | View | CSV | PDB |
| 6.5 | -0.7794 | 4.3316 | View | CSV | PDB |
| 7.0 | -0.7641 | 4.3473 | View | CSV | PDB |
| 7.5 | -0.7365 | 4.3674 | View | CSV | PDB |
| 8.0 | -0.7019 | 4.3895 | View | CSV | PDB |
| 8.5 | -0.6617 | 4.4123 | View | CSV | PDB |
| 9.0 | -0.615 | 4.4352 | 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