| Chain sequence(s) |
A: KKPAKPKCPAVCTCTKDNALCENARSIPRTVPPDVISLSFVRSGFTEISEGSFLFTPSLQLLLFTSNSFDVISDDAFIGLPHLEYLFIENNNIKSISRHTFRGLKSLIHLSLANNNLQTLPKDIFKGLDSLTNVDLRGNSFNCDCKLKWLVEWLGHTNATVEDIYCEGPPEYKKRKINSLSSKDFDCIITEFAKSQDLPYQSLSIDTFSYLNDEYVVIAQPFTGKCIFLEWDHVEKTFRNYDNITGTSTVVCKPIVIETQLYVIVAQLFGGSHIYKRDSFANKFIKIQDIEILKIRKPNDIETFKIENNWYFVVADSSKAGFTTIYKWNGNGFYSHQSLHAWYRDTDVEYLEIVRTPQTLRTPHLILSSSSQRPVIYQWNKATQLFTNQTDIPNMEDVYAVKHFSVKGDVYICLTRFIGDSKVMKWGGSSFQDIQRMPSRGSMVFQPLQINNYQYAILGSDYSFTQVYNWDAEKAKFVKFQELNVQAPRSFTHVSINKRNFLFASSFKGNTQIYKHVIVDLSA
C: DIQMTQSPSSVSASVGDRVTITCRASRRISNWVAWYQQQPGKAPKLLIYAASSLQRGVPSRFTGSGYGTDFTLTISSLQPEDSATYYCQQTNSLLALTFGGGTKVEIK B: QVQLVQSGAEVKKPGASVKVSCKTSGFSFTSYDVNWVRQATGQGLEWMGWMNVNSGKTAYAEKFQGRVTVTRNTSINTAYMELSSLRSEDTAVYYCARVGYSHGDSDYWGQGTLVTVSSA 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 (00:10:12)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/d6af93deeae5046/tmp/folded.pdb (00:10:12)
[INFO] Main: Simulation completed successfully. (00:21:13)
|
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 | -2.5797 | |
| 2 | K | A | -2.8962 | |
| 3 | P | A | -1.9767 | |
| 4 | A | A | -1.9667 | |
| 5 | K | A | -2.5119 | |
| 6 | P | A | -1.9544 | |
| 7 | K | A | -2.0639 | |
| 8 | C | A | -0.6337 | |
| 9 | P | A | -0.2870 | |
| 10 | A | A | 0.2957 | |
| 11 | V | A | 0.4152 | |
| 12 | C | A | 0.1502 | |
| 13 | T | A | -0.1329 | |
| 14 | C | A | -0.5233 | |
| 15 | T | A | -1.4805 | |
| 16 | K | A | -2.7734 | |
| 17 | D | A | -2.3996 | |
| 18 | N | A | 0.0000 | |
| 19 | A | A | 0.0000 | |
| 20 | L | A | 0.0000 | |
| 21 | C | A | 0.0000 | |
| 22 | E | A | 0.0000 | |
| 23 | N | A | -2.0642 | |
| 24 | A | A | 0.0000 | |
| 25 | R | A | -2.3293 | |
| 26 | S | A | -1.5346 | |
| 27 | I | A | -0.8269 | |
| 28 | P | A | -0.9098 | |
| 29 | R | A | -1.5210 | |
| 30 | T | A | -1.1853 | |
| 31 | V | A | 0.0000 | |
| 32 | P | A | 0.0000 | |
| 33 | P | A | -1.2006 | |
| 34 | D | A | -2.3168 | |
| 35 | V | A | 0.0000 | |
| 36 | I | A | -0.8980 | |
| 37 | S | A | -0.5411 | |
| 38 | L | A | 0.0000 | |
| 39 | S | A | 0.0000 | |
| 40 | F | A | 0.0000 | |
| 41 | V | A | 0.0000 | |
| 42 | R | A | -2.2841 | |
| 43 | S | A | -1.9400 | |
| 44 | G | A | -1.8740 | |
| 45 | F | A | 0.0000 | |
| 46 | T | A | -1.5599 | |
| 47 | E | A | -1.7325 | |
| 48 | I | A | 0.0000 | |
| 49 | S | A | -1.5669 | |
| 50 | E | A | -2.1237 | |
| 51 | G | A | -0.4586 | |
| 52 | S | A | -0.4923 | |
| 53 | F | A | 0.0000 | |
| 54 | L | A | 1.1909 | |
| 55 | F | A | 0.4433 | |
| 56 | T | A | 0.0000 | |
| 57 | P | A | -0.1030 | |
| 58 | S | A | -0.8047 | |
| 59 | L | A | 0.0000 | |
| 60 | Q | A | -0.3613 | |
| 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 | -1.0615 | |
| 67 | N | A | 0.0000 | |
| 68 | S | A | -1.6380 | |
| 69 | F | A | 0.0000 | |
| 70 | D | A | -1.8990 | |
| 71 | V | A | -1.0955 | |
| 72 | I | A | 0.0000 | |
| 73 | S | A | -1.7549 | |
| 74 | D | A | -2.3765 | |
| 75 | D | A | -1.9661 | |
| 76 | A | A | 0.0000 | |
| 77 | F | A | 0.0000 | |
| 78 | I | A | -0.1465 | |
| 79 | G | A | -0.1185 | |
| 80 | L | A | 0.0000 | |
| 81 | P | A | -1.1515 | |
| 82 | H | A | -1.4422 | |
| 83 | L | A | 0.0000 | |
| 84 | E | A | 0.0000 | |
| 85 | Y | A | 0.0000 | |
| 86 | L | A | 0.0000 | |
| 87 | F | A | 0.0000 | |
| 88 | I | A | 0.0000 | |
| 89 | E | A | 0.0000 | |
| 90 | N | A | -1.3947 | |
| 91 | N | A | 0.0000 | |
| 92 | N | A | -2.4436 | |
| 93 | I | A | 0.0000 | |
| 94 | K | A | -2.5982 | |
| 95 | S | A | -1.6215 | |
| 96 | I | A | 0.0000 | |
| 97 | S | A | -1.5094 | |
| 98 | R | A | -3.3331 | |
| 99 | H | A | -2.9249 | |
| 100 | T | A | 0.0000 | |
| 101 | F | A | 0.0000 | |
| 102 | R | A | -2.5009 | |
| 103 | G | A | -1.4752 | |
| 104 | L | A | 0.0000 | |
| 105 | K | A | -2.7428 | |
| 106 | S | A | -1.5842 | |
| 107 | L | A | 0.0000 | |
| 108 | I | A | 0.0000 | |
| 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 | -2.0681 | |
| 115 | N | A | 0.0000 | |
| 116 | N | A | -2.6702 | |
| 117 | L | A | 0.0000 | |
| 118 | Q | A | -2.1056 | |
| 119 | T | A | -1.4978 | |
| 120 | L | A | 0.0000 | |
| 121 | P | A | -1.8045 | |
| 122 | K | A | -2.5372 | |
| 123 | D | A | -2.8958 | |
| 124 | I | A | 0.0000 | |
| 125 | F | A | 0.0000 | |
| 126 | K | A | -3.3193 | |
| 127 | G | A | -2.7819 | |
| 128 | L | A | 0.0000 | |
| 129 | D | A | -2.8714 | |
| 130 | S | A | -1.6859 | |
| 131 | L | A | 0.0000 | |
| 132 | T | A | 0.0000 | |
| 133 | N | A | 0.0000 | |
| 134 | V | A | 0.0000 | |
| 135 | D | A | 0.0000 | |
| 136 | L | A | 0.0000 | |
| 137 | R | A | -1.2565 | |
| 138 | G | A | -1.4030 | |
| 139 | N | A | -1.8057 | |
| 140 | S | A | -1.6539 | |
| 141 | F | A | 0.0000 | |
| 142 | N | A | -1.6027 | |
| 143 | C | A | 0.0000 | |
| 144 | D | A | -1.4214 | |
| 145 | C | A | -1.2149 | |
| 146 | K | A | -1.9944 | |
| 147 | L | A | 0.0000 | |
| 148 | K | A | -1.8182 | |
| 149 | W | A | 0.0000 | |
| 150 | L | A | 0.0000 | |
| 151 | V | A | 0.0000 | |
| 152 | E | A | -2.2024 | |
| 153 | W | A | -1.6832 | |
| 154 | L | A | -1.0376 | |
| 155 | G | A | -1.6304 | |
| 156 | H | A | -1.7758 | |
| 157 | T | A | -1.5077 | |
| 158 | N | A | -1.7369 | |
| 159 | A | A | 0.0000 | |
| 160 | T | A | -0.4629 | |
| 161 | V | A | -0.6470 | |
| 162 | E | A | -1.2045 | |
| 163 | D | A | -1.4475 | |
| 164 | I | A | 0.0000 | |
| 165 | Y | A | -1.4640 | |
| 166 | C | A | 0.0000 | |
| 167 | E | A | -2.7350 | |
| 168 | G | A | -2.3273 | |
| 169 | P | A | -1.7827 | |
| 170 | P | A | -2.1613 | |
| 171 | E | A | -2.9059 | |
| 172 | Y | A | -2.8674 | |
| 173 | K | A | -3.8817 | |
| 174 | K | A | -3.5935 | |
| 175 | R | A | -3.2561 | |
| 176 | K | A | -2.0407 | |
| 177 | I | A | 0.0000 | |
| 178 | N | A | -1.3100 | |
| 179 | S | A | -0.8652 | |
| 180 | L | A | -1.2099 | |
| 181 | S | A | -1.5271 | |
| 182 | S | A | -2.0238 | |
| 183 | K | A | -2.8497 | |
| 184 | D | A | -2.4315 | |
| 185 | F | A | 0.0000 | |
| 186 | D | A | -1.9461 | |
| 187 | C | A | 0.0000 | |
| 188 | I | A | 1.7475 | |
| 189 | I | A | 1.7325 | |
| 190 | T | A | 0.0000 | |
| 191 | E | A | -0.5036 | |
| 192 | F | A | 0.0000 | |
| 193 | A | A | -1.0820 | |
| 194 | K | A | -2.3800 | |
| 195 | S | A | -1.6397 | |
| 196 | Q | A | -1.4893 | |
| 197 | D | A | -1.8180 | |
| 198 | L | A | 0.0000 | |
| 199 | P | A | -0.8888 | |
| 200 | Y | A | -0.5819 | |
| 201 | Q | A | -0.7621 | |
| 202 | S | A | 0.0000 | |
| 203 | L | A | 0.2162 | |
| 204 | S | A | -0.1610 | |
| 205 | I | A | 0.0000 | |
| 206 | D | A | -0.4215 | |
| 207 | T | A | -0.3955 | |
| 208 | F | A | 0.0000 | |
| 209 | S | A | -0.6461 | |
| 210 | Y | A | 0.0000 | |
| 211 | L | A | 0.4102 | |
| 212 | N | A | -1.2290 | |
| 213 | D | A | -1.7522 | |
| 214 | E | A | -1.4822 | |
| 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 | 0.8773 | |
| 222 | F | A | 1.8011 | |
| 223 | T | A | 0.5780 | |
| 224 | G | A | 0.0000 | |
| 225 | K | A | -0.5674 | |
| 226 | C | A | 0.0000 | |
| 227 | I | A | -0.7476 | |
| 228 | F | A | 0.0000 | |
| 229 | L | A | 0.0000 | |
| 230 | E | A | -1.9147 | |
| 231 | W | A | 0.0000 | |
| 232 | D | A | -1.9893 | |
| 233 | H | A | -1.5981 | |
| 234 | V | A | -0.1966 | |
| 235 | E | A | -2.3489 | |
| 236 | K | A | -2.6747 | |
| 237 | T | A | -2.0192 | |
| 238 | F | A | 0.0000 | |
| 239 | R | A | -3.0595 | |
| 240 | N | A | -2.3467 | |
| 241 | Y | A | -1.2000 | |
| 242 | D | A | -1.4308 | |
| 243 | N | A | -1.1842 | |
| 244 | I | A | 0.0000 | |
| 245 | T | A | -0.5271 | |
| 246 | G | A | -0.1337 | |
| 247 | T | A | 0.4888 | |
| 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 | -0.4042 | |
| 254 | P | A | 0.0000 | |
| 255 | I | A | 0.0000 | |
| 256 | V | A | -0.0260 | |
| 257 | I | A | 0.0000 | |
| 258 | E | A | -1.9811 | |
| 259 | T | A | -0.9296 | |
| 260 | Q | A | -1.0308 | |
| 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 | 1.0094 | |
| 269 | F | A | 1.8952 | |
| 270 | G | A | 0.7475 | |
| 271 | G | A | 0.0000 | |
| 272 | S | A | 0.0000 | |
| 273 | H | A | -1.1385 | |
| 274 | I | A | 0.0000 | |
| 275 | Y | A | -0.5719 | |
| 276 | K | A | -0.5256 | |
| 277 | R | A | 0.0000 | |
| 278 | D | A | -0.5356 | |
| 279 | S | A | -0.0753 | |
| 280 | F | A | 1.1621 | |
| 281 | A | A | -0.0289 | |
| 282 | N | A | -1.2678 | |
| 283 | K | A | -1.5918 | |
| 284 | F | A | -0.8155 | |
| 285 | I | A | -0.2287 | |
| 286 | K | A | -1.2019 | |
| 287 | I | A | -0.2989 | |
| 288 | Q | A | -1.2665 | |
| 289 | D | A | -2.1521 | |
| 290 | I | A | 0.0000 | |
| 291 | E | A | -1.0320 | |
| 292 | I | A | 1.3223 | |
| 293 | L | A | 1.5699 | |
| 294 | K | A | 0.2463 | |
| 295 | I | A | 0.0000 | |
| 296 | R | A | -0.5634 | |
| 297 | K | A | -0.9891 | |
| 298 | P | A | 0.0000 | |
| 299 | N | A | -0.8918 | |
| 300 | D | A | -0.5885 | |
| 301 | I | A | 0.0000 | |
| 302 | E | A | -0.3277 | |
| 303 | T | A | -0.3253 | |
| 304 | F | A | 0.0000 | |
| 305 | K | A | -2.0009 | |
| 306 | I | A | 0.0000 | |
| 307 | E | A | -3.0571 | |
| 308 | N | A | -2.6972 | |
| 309 | N | A | -2.4202 | |
| 310 | W | A | -1.4105 | |
| 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 | -1.3726 | |
| 318 | S | A | -1.5341 | |
| 319 | K | A | -1.6771 | |
| 320 | A | A | -0.6066 | |
| 321 | G | A | 0.0000 | |
| 322 | F | A | 0.0889 | |
| 323 | T | A | 0.0000 | |
| 324 | T | A | 0.0000 | |
| 325 | I | A | 0.0000 | |
| 326 | Y | A | 0.0000 | |
| 327 | K | A | -0.9946 | |
| 328 | W | A | -1.2033 | |
| 329 | N | A | -1.8804 | |
| 330 | G | A | -1.9563 | |
| 331 | N | A | -1.6634 | |
| 332 | G | A | 0.0000 | |
| 333 | F | A | 0.0000 | |
| 334 | Y | A | -0.0606 | |
| 335 | S | A | -0.2706 | |
| 336 | H | A | -0.2814 | |
| 337 | Q | A | -0.2224 | |
| 338 | S | A | -0.1303 | |
| 339 | L | A | 0.0000 | |
| 340 | H | A | -0.0779 | |
| 341 | A | A | 0.3485 | |
| 342 | W | A | 0.5431 | |
| 343 | Y | A | -0.2085 | |
| 344 | R | A | -1.7895 | |
| 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 | -0.3322 | |
| 351 | L | A | 0.0000 | |
| 352 | E | A | -1.1763 | |
| 353 | I | A | 0.0000 | |
| 354 | V | A | -0.6275 | |
| 355 | R | A | -0.9528 | |
| 356 | T | A | -0.7409 | |
| 357 | P | A | -0.7795 | |
| 358 | Q | A | -1.1663 | |
| 359 | T | A | -0.2461 | |
| 360 | L | A | 0.4047 | |
| 361 | R | A | -1.0345 | |
| 362 | T | A | -1.0059 | |
| 363 | P | A | -0.8923 | |
| 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 | -1.6451 | |
| 371 | S | A | -1.9943 | |
| 372 | Q | A | -2.5550 | |
| 373 | R | A | -3.1728 | |
| 374 | P | A | 0.0000 | |
| 375 | V | A | 0.0000 | |
| 376 | I | A | 0.0000 | |
| 377 | Y | A | 0.0000 | |
| 378 | Q | A | -1.2365 | |
| 379 | W | A | 0.0000 | |
| 380 | N | A | -1.4616 | |
| 381 | K | A | -2.2339 | |
| 382 | A | A | -1.0147 | |
| 383 | T | A | -0.7963 | |
| 384 | Q | A | -1.1749 | |
| 385 | L | A | -0.4741 | |
| 386 | F | A | 0.0000 | |
| 387 | T | A | -1.0999 | |
| 388 | N | A | -1.9460 | |
| 389 | Q | A | -2.3108 | |
| 390 | T | A | -2.0221 | |
| 391 | D | A | -2.6862 | |
| 392 | I | A | 0.0000 | |
| 393 | P | A | -1.9753 | |
| 394 | N | A | -2.5651 | |
| 395 | M | A | 0.0000 | |
| 396 | E | A | -3.4402 | |
| 397 | D | A | -2.8192 | |
| 398 | V | A | 0.0000 | |
| 399 | Y | A | -0.4601 | |
| 400 | A | A | 0.0000 | |
| 401 | V | A | 0.0000 | |
| 402 | K | A | -0.5028 | |
| 403 | H | A | -0.6874 | |
| 404 | F | A | 0.0000 | |
| 405 | S | A | -1.0382 | |
| 406 | V | A | -1.1656 | |
| 407 | K | A | -2.0550 | |
| 408 | G | A | -1.5762 | |
| 409 | D | A | -1.4852 | |
| 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 | -0.3321 | |
| 417 | F | A | 0.7933 | |
| 418 | I | A | 1.2309 | |
| 419 | G | A | -0.3863 | |
| 420 | D | A | -1.4026 | |
| 421 | S | A | 0.0000 | |
| 422 | K | A | 0.0000 | |
| 423 | V | A | 0.0000 | |
| 424 | M | A | 0.0000 | |
| 425 | K | A | -1.3928 | |
| 426 | W | A | 0.0000 | |
| 427 | G | A | -1.0438 | |
| 428 | G | A | -0.9075 | |
| 429 | S | A | -0.6793 | |
| 430 | S | A | -1.0619 | |
| 431 | F | A | 0.0000 | |
| 432 | Q | A | -2.0693 | |
| 433 | D | A | -2.6370 | |
| 434 | I | A | -1.4820 | |
| 435 | Q | A | -1.8283 | |
| 436 | R | A | -2.5932 | |
| 437 | M | A | 0.0000 | |
| 438 | P | A | -1.0681 | |
| 439 | S | A | 0.0000 | |
| 440 | R | A | -0.5168 | |
| 441 | G | A | 0.0000 | |
| 442 | S | A | 0.0000 | |
| 443 | M | A | 0.2527 | |
| 444 | V | A | 0.0000 | |
| 445 | F | A | 0.0000 | |
| 446 | Q | A | -0.3761 | |
| 447 | P | A | 0.0000 | |
| 448 | L | A | 0.0000 | |
| 449 | Q | A | -1.6953 | |
| 450 | I | A | 0.0000 | |
| 451 | N | A | -2.1250 | |
| 452 | N | A | -1.8805 | |
| 453 | Y | A | -0.9934 | |
| 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 | -0.1934 | |
| 462 | Y | A | 0.7305 | |
| 463 | S | A | 0.1233 | |
| 464 | F | A | 0.2258 | |
| 465 | T | A | 0.0000 | |
| 466 | Q | A | -0.9439 | |
| 467 | V | A | 0.0000 | |
| 468 | Y | A | 0.0000 | |
| 469 | N | A | -0.5374 | |
| 470 | W | A | 0.0000 | |
| 471 | D | A | -1.6305 | |
| 472 | A | A | -1.8164 | |
| 473 | E | A | -2.8315 | |
| 474 | K | A | -2.8219 | |
| 475 | A | A | -1.7211 | |
| 476 | K | A | -1.7522 | |
| 477 | F | A | 0.0000 | |
| 478 | V | A | -0.5184 | |
| 479 | K | A | -1.4992 | |
| 480 | F | A | -0.7745 | |
| 481 | Q | A | -1.2767 | |
| 482 | E | A | -2.0176 | |
| 483 | L | A | 0.0000 | |
| 484 | N | A | -1.6946 | |
| 485 | V | A | 0.0000 | |
| 486 | Q | A | -1.7587 | |
| 487 | A | A | 0.0000 | |
| 488 | P | A | 0.0000 | |
| 489 | R | A | -0.4242 | |
| 490 | S | A | -0.1277 | |
| 491 | F | A | 0.0000 | |
| 492 | T | A | -0.2424 | |
| 493 | H | A | -0.5779 | |
| 494 | V | A | 0.0000 | |
| 495 | S | A | -1.3753 | |
| 496 | I | A | 0.0000 | |
| 497 | N | A | -2.6757 | |
| 498 | K | A | -2.8411 | |
| 499 | R | A | -2.0729 | |
| 500 | N | A | -1.3842 | |
| 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 | -0.5718 | |
| 508 | K | A | -2.1003 | |
| 509 | G | A | -1.7960 | |
| 510 | N | A | -1.8170 | |
| 511 | T | A | 0.0000 | |
| 512 | Q | A | 0.0000 | |
| 513 | I | A | 0.0000 | |
| 514 | Y | A | 0.0000 | |
| 515 | K | A | -1.0099 | |
| 516 | H | A | 0.0000 | |
| 517 | V | A | 0.8160 | |
| 518 | I | A | 2.3285 | |
| 519 | V | A | 1.9008 | |
| 520 | D | A | 0.9292 | |
| 521 | L | A | 0.7801 | |
| 522 | S | A | 0.0000 | |
| 523 | A | A | -0.1031 | |
| 1 | Q | B | -1.5224 | |
| 2 | V | B | -1.0317 | |
| 3 | Q | B | -1.2731 | |
| 4 | L | B | 0.0000 | |
| 5 | V | B | 0.5217 | |
| 6 | Q | B | 0.0000 | |
| 7 | S | B | -0.4538 | |
| 8 | G | B | -0.4694 | |
| 9 | A | B | 0.1345 | |
| 10 | E | B | -0.1302 | |
| 11 | V | B | 0.9163 | |
| 12 | K | B | -0.9610 | |
| 13 | K | B | -2.1235 | |
| 14 | P | B | -2.2309 | |
| 15 | G | B | -1.5791 | |
| 16 | A | B | -1.2336 | |
| 17 | S | B | -1.2967 | |
| 18 | V | B | 0.0000 | |
| 19 | K | B | -1.7877 | |
| 20 | V | B | 0.0000 | |
| 21 | S | B | -0.5873 | |
| 22 | C | B | 0.0000 | |
| 23 | K | B | -0.8811 | |
| 24 | T | B | 0.0000 | |
| 25 | S | B | -0.7892 | |
| 26 | G | B | -1.0450 | |
| 27 | F | B | -0.4385 | |
| 28 | S | B | -0.3251 | |
| 29 | F | B | 0.0000 | |
| 30 | T | B | -0.5669 | |
| 31 | S | B | 0.0000 | |
| 32 | Y | B | 0.0000 | |
| 33 | D | B | 0.0000 | |
| 34 | V | B | 0.0000 | |
| 35 | N | B | 0.0000 | |
| 36 | W | B | 0.0000 | |
| 37 | V | B | 0.0000 | |
| 38 | R | B | -0.3453 | |
| 39 | Q | B | -0.5745 | |
| 40 | A | B | -0.9004 | |
| 41 | T | B | -0.7911 | |
| 42 | G | B | -1.1262 | |
| 43 | Q | B | -1.6917 | |
| 44 | G | B | -1.0948 | |
| 45 | L | B | 0.0000 | |
| 46 | E | B | -0.6313 | |
| 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 | V | B | 0.0000 | |
| 54 | N | B | -1.0623 | |
| 55 | S | B | -1.0103 | |
| 56 | G | B | -1.2536 | |
| 57 | K | B | -1.6211 | |
| 58 | T | B | -0.6679 | |
| 59 | A | B | -0.4469 | |
| 60 | Y | B | -0.8526 | |
| 61 | A | B | -1.8026 | |
| 62 | E | B | -3.2300 | |
| 63 | K | B | -2.9842 | |
| 64 | F | B | 0.0000 | |
| 65 | Q | B | -2.5916 | |
| 66 | G | B | -1.6851 | |
| 67 | R | B | -1.3613 | |
| 68 | V | B | 0.0000 | |
| 69 | T | B | -0.7652 | |
| 70 | V | B | 0.0000 | |
| 71 | T | B | -0.8087 | |
| 72 | R | B | -0.9482 | |
| 73 | N | B | -0.8102 | |
| 74 | T | B | -0.4532 | |
| 75 | S | B | 0.0424 | |
| 76 | I | B | 0.5868 | |
| 77 | N | B | -0.6241 | |
| 78 | T | B | 0.0000 | |
| 79 | A | B | 0.0000 | |
| 80 | Y | B | -0.7768 | |
| 81 | M | B | 0.0000 | |
| 82 | E | B | -1.3851 | |
| 83 | L | B | 0.0000 | |
| 84 | S | B | -1.0880 | |
| 85 | S | B | -1.1884 | |
| 86 | L | B | 0.0000 | |
| 87 | R | B | -3.1021 | |
| 88 | S | B | -2.3977 | |
| 89 | E | B | -2.5612 | |
| 90 | D | B | 0.0000 | |
| 91 | T | B | -0.6910 | |
| 92 | A | B | 0.0000 | |
| 93 | V | B | 0.3615 | |
| 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 | V | B | 0.0000 | |
| 100 | G | B | 0.0000 | |
| 101 | Y | B | 0.0000 | |
| 102 | S | B | 0.0000 | |
| 103 | H | B | 0.0000 | |
| 104 | G | B | 0.0000 | |
| 105 | D | B | 0.0000 | |
| 106 | S | B | 0.0000 | |
| 107 | D | B | -0.5042 | |
| 108 | Y | B | -0.3500 | |
| 109 | W | B | -0.4762 | |
| 110 | G | B | 0.0000 | |
| 111 | Q | B | -1.2719 | |
| 112 | G | B | -0.5167 | |
| 113 | T | B | 0.0000 | |
| 114 | L | B | 0.7248 | |
| 115 | V | B | 0.0000 | |
| 116 | T | B | -0.1711 | |
| 117 | V | B | 0.0000 | |
| 118 | S | B | -1.0026 | |
| 119 | S | B | -0.9660 | |
| 120 | A | B | -0.2426 | |
| 1 | D | C | -2.6658 | |
| 2 | I | C | 0.0000 | |
| 3 | Q | C | -2.3270 | |
| 4 | M | C | 0.0000 | |
| 5 | T | C | -1.3849 | |
| 6 | Q | C | -1.1436 | |
| 7 | S | C | -0.8128 | |
| 8 | P | C | -0.5419 | |
| 9 | S | C | -0.7227 | |
| 10 | S | C | -0.9321 | |
| 11 | V | C | -0.7138 | |
| 12 | S | C | -1.2630 | |
| 13 | A | C | 0.0000 | |
| 14 | S | C | -0.6866 | |
| 15 | V | C | 0.2290 | |
| 16 | G | C | -0.7098 | |
| 17 | D | C | -1.5834 | |
| 18 | R | C | -2.2588 | |
| 19 | V | C | 0.0000 | |
| 20 | T | C | -0.6024 | |
| 21 | I | C | 0.0000 | |
| 22 | T | C | -0.9082 | |
| 23 | C | C | 0.0000 | |
| 24 | R | C | -3.0307 | |
| 25 | A | C | 0.0000 | |
| 26 | S | C | -2.4574 | |
| 27 | R | C | -3.1987 | |
| 28 | R | C | -2.2646 | |
| 29 | I | C | 0.0000 | |
| 30 | S | C | 0.0000 | |
| 31 | N | C | 0.0000 | |
| 32 | W | C | 0.0000 | |
| 33 | V | 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 | Q | C | -1.5573 | |
| 40 | P | C | -1.1496 | |
| 41 | G | C | -1.5836 | |
| 42 | K | C | -2.5065 | |
| 43 | A | C | -1.5997 | |
| 44 | P | C | 0.0000 | |
| 45 | K | C | -1.4652 | |
| 46 | L | C | 0.0000 | |
| 47 | L | C | 0.0000 | |
| 48 | I | C | 0.0000 | |
| 49 | Y | C | 0.1924 | |
| 50 | A | C | -0.0030 | |
| 51 | A | C | 0.0000 | |
| 52 | S | C | -0.1442 | |
| 53 | S | C | -0.2986 | |
| 54 | L | C | -0.1287 | |
| 55 | Q | C | -1.0835 | |
| 56 | R | C | -2.0426 | |
| 57 | G | C | -1.3649 | |
| 58 | V | C | 0.0000 | |
| 59 | P | C | -0.6030 | |
| 60 | S | C | -0.3785 | |
| 61 | R | C | -0.6877 | |
| 62 | F | C | 0.0000 | |
| 63 | T | C | -0.1884 | |
| 64 | G | C | 0.0000 | |
| 65 | S | C | -0.4969 | |
| 66 | G | C | -0.7723 | |
| 67 | Y | C | -0.3988 | |
| 68 | G | C | 0.0000 | |
| 69 | T | C | -2.0760 | |
| 70 | D | C | -2.3363 | |
| 71 | F | C | 0.0000 | |
| 72 | T | C | -0.7085 | |
| 73 | L | C | 0.0000 | |
| 74 | T | C | -0.5587 | |
| 75 | I | C | 0.0000 | |
| 76 | S | C | -1.3098 | |
| 77 | S | C | -1.1148 | |
| 78 | L | C | 0.0000 | |
| 79 | Q | C | -0.8445 | |
| 80 | P | C | -0.9550 | |
| 81 | E | C | -1.5427 | |
| 82 | D | C | 0.0000 | |
| 83 | S | C | -1.1874 | |
| 84 | A | C | 0.0000 | |
| 85 | T | C | -0.8942 | |
| 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 | T | C | 0.0000 | |
| 92 | N | C | 0.0000 | |
| 93 | S | C | 0.0000 | |
| 94 | L | C | 0.0000 | |
| 95 | L | C | 0.0348 | |
| 96 | A | C | -0.6295 | |
| 97 | L | C | 0.0000 | |
| 98 | T | C | -0.5884 | |
| 99 | F | C | -0.2664 | |
| 100 | G | C | 0.0000 | |
| 101 | G | C | -1.0706 | |
| 102 | G | C | -0.8452 | |
| 103 | T | C | 0.0000 | |
| 104 | K | C | -1.5714 | |
| 105 | V | C | 0.0000 | |
| 106 | E | C | -1.9469 | |
| 107 | I | C | -1.2131 | |
| 108 | K | C | -1.5860 |
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 | -0.7308 | 4.2705 | View | CSV | PDB |
| 4.5 | -0.772 | 4.2708 | View | CSV | PDB |
| 5.0 | -0.8204 | 4.2717 | View | CSV | PDB |
| 5.5 | -0.8651 | 4.2744 | View | CSV | PDB |
| 6.0 | -0.8941 | 4.2925 | View | CSV | PDB |
| 6.5 | -0.8995 | 4.3181 | View | CSV | PDB |
| 7.0 | -0.8824 | 4.3464 | View | CSV | PDB |
| 7.5 | -0.8505 | 4.3758 | View | CSV | PDB |
| 8.0 | -0.8105 | 4.4053 | View | CSV | PDB |
| 8.5 | -0.7646 | 4.4347 | View | CSV | PDB |
| 9.0 | -0.7124 | 4.4631 | 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