| Chain sequence(s) |
A: KKPAKPKCPAVCTCTKDNALCENARSIPRTVPPDVISLSFVRSGFTEISEGSFLFTPSLQLLLFTSNSFDVISDDAFIGLPHLEYLFIENNNIKSISRHTFRGLKSLIHLSLANNNLQTLPKDIFKGLDSLTNVDLRGNSFNCDCKLKWLVEWLGHTNATVEDIYCEGPPEYKKRKINSLSSKDFDCIITEFAKSQDLPYQSLSIDTFSYLNDEYVVIAQPFTGKCIFLEWDHVEKTFRNYDNITGTSTVVCKPIVIETQLYVIVAQLFGGSHIYKRDSFANKFIKIQDIEILKIRKPNDIETFKIENNWYFVVADSSKAGFTTIYKWNGNGFYSHQSLHAWYRDTDVEYLEIVRTPQTLRTPHLILSSSSQRPVIYQWNKATQLFTNQTDIPNMEDVYAVKHFSVKGDVYICLTRFIGDSKVMKWGGSSFQDIQRMPSRGSMVFQPLQINNYQYAILGSDYSFTQVYNWDAEKAKFVKFQELNVQAPRSFTHVSINKRNFLFASSFKGNTQIYKHVIVDLSA
C: DIVMTQSPLSLPVTPGEPASISCRSSQSLVHGNGYNYLNWYLQKPGQSPQLLIHLGFNRASGVPDRFSGSGSGTEFTLKISRVEAEDVGVYYCMQALQTPYTFGPGTKVDIK B: QVQLVQSGAEVKKPGASVKVSCKASGYIFNTYGIHWVRLAPGQGLEWMGSINTATGEIRYSQTFQGRVTITRDTSATTAFLELTSLRSEDTALYYCARDRHPLMSGLTVLDYWGQGVQVTVSS 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 (00:16:38)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/4dd7fc6743e74a9/tmp/folded.pdb (00:16:38)
[INFO] Main: Simulation completed successfully. (00:26:33)
|
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 | -2.5762 | |
| 2 | K | A | -2.8861 | |
| 3 | P | A | -1.9646 | |
| 4 | A | A | -1.9482 | |
| 5 | K | A | -2.4812 | |
| 6 | P | A | -1.9691 | |
| 7 | K | A | -2.0582 | |
| 8 | C | A | -0.6275 | |
| 9 | P | A | -0.2816 | |
| 10 | A | A | 0.1290 | |
| 11 | V | A | -0.0203 | |
| 12 | C | A | -0.1049 | |
| 13 | T | A | 0.1084 | |
| 14 | C | A | -0.3439 | |
| 15 | T | A | -1.0132 | |
| 16 | K | A | -2.3251 | |
| 17 | D | A | -1.6556 | |
| 18 | N | A | 0.0000 | |
| 19 | A | A | 0.0000 | |
| 20 | L | A | 0.0031 | |
| 21 | C | A | 0.0000 | |
| 22 | E | A | -2.6274 | |
| 23 | N | A | -2.9882 | |
| 24 | A | A | 0.0000 | |
| 25 | R | A | -2.5831 | |
| 26 | S | A | -1.5632 | |
| 27 | I | A | -0.8456 | |
| 28 | P | A | -0.9034 | |
| 29 | R | A | -1.5362 | |
| 30 | T | A | -1.1621 | |
| 31 | V | A | 0.0000 | |
| 32 | P | A | 0.0000 | |
| 33 | P | A | -0.9460 | |
| 34 | D | A | -2.0980 | |
| 35 | V | A | 0.0000 | |
| 36 | I | A | -0.7271 | |
| 37 | S | A | 0.0000 | |
| 38 | L | A | 0.0000 | |
| 39 | S | A | 0.0000 | |
| 40 | F | A | 0.0000 | |
| 41 | V | A | -1.6552 | |
| 42 | R | A | -2.9992 | |
| 43 | S | A | -2.3703 | |
| 44 | G | A | -2.1773 | |
| 45 | F | A | 0.0000 | |
| 46 | T | A | -1.6632 | |
| 47 | E | A | -1.8712 | |
| 48 | I | A | 0.0000 | |
| 49 | S | A | -1.5970 | |
| 50 | E | A | -2.1337 | |
| 51 | G | A | 0.0000 | |
| 52 | S | A | -0.5139 | |
| 53 | F | A | 0.0000 | |
| 54 | L | A | 1.1026 | |
| 55 | F | A | 0.4143 | |
| 56 | T | A | 0.0000 | |
| 57 | P | A | -0.1742 | |
| 58 | S | A | -0.7947 | |
| 59 | L | A | 0.0000 | |
| 60 | Q | A | -0.9966 | |
| 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 | -1.3385 | |
| 67 | N | A | 0.0000 | |
| 68 | S | A | -1.7335 | |
| 69 | F | A | 0.0000 | |
| 70 | D | A | -2.0430 | |
| 71 | V | A | -1.1930 | |
| 72 | I | A | 0.0000 | |
| 73 | S | A | -1.6996 | |
| 74 | D | A | -2.2305 | |
| 75 | D | A | -1.8859 | |
| 76 | A | A | 0.0000 | |
| 77 | F | A | 0.0000 | |
| 78 | I | A | -0.1333 | |
| 79 | G | A | -0.1130 | |
| 80 | L | A | 0.0000 | |
| 81 | P | A | -1.2241 | |
| 82 | H | A | -1.6745 | |
| 83 | L | A | 0.0000 | |
| 84 | E | A | -1.1996 | |
| 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 | -1.2702 | |
| 91 | N | A | 0.0000 | |
| 92 | N | A | -2.5136 | |
| 93 | I | A | 0.0000 | |
| 94 | K | A | -2.6766 | |
| 95 | S | A | -1.6406 | |
| 96 | I | A | 0.0000 | |
| 97 | S | A | -1.2545 | |
| 98 | R | A | -2.6182 | |
| 99 | H | A | -2.4193 | |
| 100 | T | A | 0.0000 | |
| 101 | F | A | 0.0000 | |
| 102 | R | A | -2.4637 | |
| 103 | G | A | -1.5244 | |
| 104 | L | A | 0.0000 | |
| 105 | K | A | -2.8215 | |
| 106 | S | A | -1.7573 | |
| 107 | L | A | 0.0000 | |
| 108 | I | A | -0.4938 | |
| 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 | -2.1284 | |
| 115 | N | A | 0.0000 | |
| 116 | N | A | -2.7509 | |
| 117 | L | A | 0.0000 | |
| 118 | Q | A | -2.0909 | |
| 119 | T | A | -1.5841 | |
| 120 | L | A | 0.0000 | |
| 121 | P | A | -1.4207 | |
| 122 | K | A | -1.9419 | |
| 123 | D | A | -1.8628 | |
| 124 | I | A | 0.0000 | |
| 125 | F | A | 0.0000 | |
| 126 | K | A | -2.9541 | |
| 127 | G | A | -2.6846 | |
| 128 | L | A | 0.0000 | |
| 129 | D | A | -2.8718 | |
| 130 | S | A | -1.6295 | |
| 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 | -1.3336 | |
| 138 | G | A | -1.5238 | |
| 139 | N | A | -1.8734 | |
| 140 | S | A | -1.7136 | |
| 141 | F | A | 0.0000 | |
| 142 | N | A | -1.7849 | |
| 143 | C | A | 0.0000 | |
| 144 | D | A | -1.5050 | |
| 145 | C | A | -1.3679 | |
| 146 | K | A | -2.0259 | |
| 147 | L | A | 0.0000 | |
| 148 | K | A | -1.9446 | |
| 149 | W | A | 0.0000 | |
| 150 | L | A | 0.0000 | |
| 151 | V | A | 0.0000 | |
| 152 | E | A | -2.4181 | |
| 153 | W | A | -1.6879 | |
| 154 | L | A | -1.2599 | |
| 155 | G | A | -1.7487 | |
| 156 | H | A | -1.8788 | |
| 157 | T | A | -1.6375 | |
| 158 | N | A | -1.8476 | |
| 159 | A | A | 0.0000 | |
| 160 | T | A | 0.0000 | |
| 161 | V | A | 0.0000 | |
| 162 | E | A | 0.0000 | |
| 163 | D | A | -1.3613 | |
| 164 | I | A | 0.0000 | |
| 165 | Y | A | -1.8299 | |
| 166 | C | A | 0.0000 | |
| 167 | E | A | -2.9497 | |
| 168 | G | A | -2.4182 | |
| 169 | P | A | -1.8002 | |
| 170 | P | A | -2.1139 | |
| 171 | E | A | -2.8481 | |
| 172 | Y | A | -2.8539 | |
| 173 | K | A | -3.7925 | |
| 174 | K | A | -3.6698 | |
| 175 | R | A | -3.3573 | |
| 176 | K | A | -2.2841 | |
| 177 | I | A | 0.0000 | |
| 178 | N | A | -1.3558 | |
| 179 | S | A | -0.9755 | |
| 180 | L | A | -1.2980 | |
| 181 | S | A | -1.5931 | |
| 182 | S | A | -2.1834 | |
| 183 | K | A | -2.8964 | |
| 184 | D | A | -2.3634 | |
| 185 | F | A | 0.0000 | |
| 186 | D | A | -2.0208 | |
| 187 | C | A | 0.0000 | |
| 188 | I | A | 1.6510 | |
| 189 | I | A | 1.5558 | |
| 190 | T | A | 0.0000 | |
| 191 | E | A | -0.1179 | |
| 192 | F | A | 0.0000 | |
| 193 | A | A | -0.9167 | |
| 194 | K | A | -2.3316 | |
| 195 | S | A | -1.6287 | |
| 196 | Q | A | -1.8747 | |
| 197 | D | A | -2.6023 | |
| 198 | L | A | 0.0000 | |
| 199 | P | A | -1.1467 | |
| 200 | Y | A | -0.7481 | |
| 201 | Q | A | -0.8053 | |
| 202 | S | A | 0.0000 | |
| 203 | L | A | 0.2187 | |
| 204 | S | A | -0.1146 | |
| 205 | I | A | 0.0000 | |
| 206 | D | A | -0.4189 | |
| 207 | T | A | -0.4185 | |
| 208 | F | A | 0.0000 | |
| 209 | S | A | -0.8406 | |
| 210 | Y | A | 0.0000 | |
| 211 | L | A | 0.1957 | |
| 212 | N | A | -1.5145 | |
| 213 | D | A | -2.2520 | |
| 214 | E | A | -1.7360 | |
| 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 | 0.8633 | |
| 222 | F | A | 1.8128 | |
| 223 | T | A | 0.6048 | |
| 224 | G | A | 0.0000 | |
| 225 | K | A | -0.4594 | |
| 226 | C | A | 0.0000 | |
| 227 | I | A | 0.0000 | |
| 228 | F | A | 0.0000 | |
| 229 | L | A | 0.0000 | |
| 230 | E | A | -1.5268 | |
| 231 | W | A | 0.0000 | |
| 232 | D | A | -1.7847 | |
| 233 | H | A | -1.5131 | |
| 234 | V | A | -0.1917 | |
| 235 | E | A | -2.2968 | |
| 236 | K | A | -2.6092 | |
| 237 | T | A | -1.8708 | |
| 238 | F | A | 0.0000 | |
| 239 | R | A | -2.5354 | |
| 240 | N | A | -2.0023 | |
| 241 | Y | A | -0.9552 | |
| 242 | D | A | -1.3547 | |
| 243 | N | A | -1.1157 | |
| 244 | I | A | 0.0000 | |
| 245 | T | A | -0.5162 | |
| 246 | G | A | -0.1011 | |
| 247 | T | A | 0.5194 | |
| 248 | S | A | 0.9373 | |
| 249 | T | A | 0.0000 | |
| 250 | V | A | 0.0000 | |
| 251 | V | A | 0.0000 | |
| 252 | C | A | 0.0000 | |
| 253 | K | A | -0.4059 | |
| 254 | P | A | 0.0000 | |
| 255 | I | A | 0.0000 | |
| 256 | V | A | -0.1534 | |
| 257 | I | A | 0.0000 | |
| 258 | E | A | -2.0788 | |
| 259 | T | A | -1.0882 | |
| 260 | Q | A | -1.3792 | |
| 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 | 0.9825 | |
| 269 | F | A | 1.8458 | |
| 270 | G | A | 0.6696 | |
| 271 | G | A | 0.0000 | |
| 272 | S | A | 0.0000 | |
| 273 | H | A | -1.2117 | |
| 274 | I | A | 0.0000 | |
| 275 | Y | A | -0.7057 | |
| 276 | K | A | -0.8108 | |
| 277 | R | A | 0.0000 | |
| 278 | D | A | -0.6971 | |
| 279 | S | A | -0.3515 | |
| 280 | F | A | 1.1214 | |
| 281 | A | A | -0.1116 | |
| 282 | N | A | -1.4046 | |
| 283 | K | A | -1.9006 | |
| 284 | F | A | -1.0187 | |
| 285 | I | A | -0.4264 | |
| 286 | K | A | -1.2847 | |
| 287 | I | A | -0.4776 | |
| 288 | Q | A | -1.3352 | |
| 289 | D | A | -2.2398 | |
| 290 | I | A | 0.0000 | |
| 291 | E | A | -1.2387 | |
| 292 | I | A | 0.8176 | |
| 293 | L | A | 1.3164 | |
| 294 | K | A | -0.0038 | |
| 295 | I | A | 0.0000 | |
| 296 | R | A | -0.5207 | |
| 297 | K | A | -0.9980 | |
| 298 | P | A | 0.0000 | |
| 299 | N | A | -0.8843 | |
| 300 | D | A | -0.5976 | |
| 301 | I | A | 0.0000 | |
| 302 | E | A | -0.3183 | |
| 303 | T | A | -0.3473 | |
| 304 | F | A | 0.0000 | |
| 305 | K | A | -2.0471 | |
| 306 | I | A | 0.0000 | |
| 307 | E | A | -3.0232 | |
| 308 | N | A | -2.6356 | |
| 309 | N | A | -2.2333 | |
| 310 | W | A | -1.3406 | |
| 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 | -1.4035 | |
| 318 | S | A | -1.5587 | |
| 319 | K | A | -1.6882 | |
| 320 | A | A | -0.6093 | |
| 321 | G | A | 0.0000 | |
| 322 | F | A | 0.0521 | |
| 323 | T | A | 0.0000 | |
| 324 | T | A | 0.0000 | |
| 325 | I | A | 0.0000 | |
| 326 | Y | A | 0.0000 | |
| 327 | K | A | -0.7357 | |
| 328 | W | A | -1.0554 | |
| 329 | N | A | -1.7642 | |
| 330 | G | A | -1.9199 | |
| 331 | N | A | -1.6629 | |
| 332 | G | A | 0.0000 | |
| 333 | F | A | 0.0000 | |
| 334 | Y | A | 0.2058 | |
| 335 | S | A | -0.1882 | |
| 336 | H | A | -0.2116 | |
| 337 | Q | A | -0.1854 | |
| 338 | S | A | -0.1189 | |
| 339 | L | A | 0.0000 | |
| 340 | H | A | 0.0000 | |
| 341 | A | A | 0.3600 | |
| 342 | W | A | 0.5250 | |
| 343 | Y | A | -0.2718 | |
| 344 | R | A | -1.9115 | |
| 345 | D | A | 0.0000 | |
| 346 | T | A | -0.5824 | |
| 347 | D | A | 0.0000 | |
| 348 | V | A | 0.0000 | |
| 349 | E | A | 0.0000 | |
| 350 | Y | A | -0.2759 | |
| 351 | L | A | 0.0000 | |
| 352 | E | A | -0.9798 | |
| 353 | I | A | 0.0000 | |
| 354 | V | A | -0.5694 | |
| 355 | R | A | -0.9323 | |
| 356 | T | A | -0.7150 | |
| 357 | P | A | -0.7659 | |
| 358 | Q | A | -1.1821 | |
| 359 | T | A | -0.2681 | |
| 360 | L | A | 0.3546 | |
| 361 | R | A | -1.1386 | |
| 362 | T | A | -1.0078 | |
| 363 | P | A | -0.8450 | |
| 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 | -1.6885 | |
| 371 | S | A | -2.0306 | |
| 372 | Q | A | -2.4865 | |
| 373 | R | A | -2.9407 | |
| 374 | P | A | 0.0000 | |
| 375 | V | A | 0.0000 | |
| 376 | I | A | 0.0000 | |
| 377 | Y | A | 0.0000 | |
| 378 | Q | A | -1.1866 | |
| 379 | W | A | 0.0000 | |
| 380 | N | A | -1.4648 | |
| 381 | K | A | -2.2321 | |
| 382 | A | A | -1.0159 | |
| 383 | T | A | -0.7951 | |
| 384 | Q | A | -1.1696 | |
| 385 | L | A | -0.4668 | |
| 386 | F | A | 0.0000 | |
| 387 | T | A | -1.0925 | |
| 388 | N | A | -1.9396 | |
| 389 | Q | A | -2.2200 | |
| 390 | T | A | -1.8384 | |
| 391 | D | A | -2.3070 | |
| 392 | I | A | 0.0000 | |
| 393 | P | A | -1.8091 | |
| 394 | N | A | -2.4050 | |
| 395 | M | A | 0.0000 | |
| 396 | E | A | -3.6288 | |
| 397 | D | A | -2.8817 | |
| 398 | V | A | 0.0000 | |
| 399 | Y | A | -0.4553 | |
| 400 | A | A | 0.0000 | |
| 401 | V | A | 0.0000 | |
| 402 | K | A | -0.4805 | |
| 403 | H | A | -0.6176 | |
| 404 | F | A | 0.0000 | |
| 405 | S | A | -1.0195 | |
| 406 | V | A | -1.2433 | |
| 407 | K | A | -2.0453 | |
| 408 | G | A | -1.5628 | |
| 409 | D | A | -1.4668 | |
| 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 | -0.4053 | |
| 417 | F | A | 0.8163 | |
| 418 | I | A | 1.1673 | |
| 419 | G | A | -0.4559 | |
| 420 | D | A | -1.3841 | |
| 421 | S | A | 0.0000 | |
| 422 | K | A | -1.5537 | |
| 423 | V | A | 0.0000 | |
| 424 | M | A | 0.0000 | |
| 425 | K | A | -1.5241 | |
| 426 | W | A | 0.0000 | |
| 427 | G | A | -1.3036 | |
| 428 | G | A | -0.9218 | |
| 429 | S | A | -0.7027 | |
| 430 | S | A | -1.2827 | |
| 431 | F | A | 0.0000 | |
| 432 | Q | A | -2.3281 | |
| 433 | D | A | -2.6982 | |
| 434 | I | A | -1.4620 | |
| 435 | Q | A | -1.8210 | |
| 436 | R | A | -2.5913 | |
| 437 | M | A | 0.0000 | |
| 438 | P | A | -1.1327 | |
| 439 | S | A | 0.0000 | |
| 440 | R | A | -0.8199 | |
| 441 | G | A | 0.0000 | |
| 442 | S | A | 0.0000 | |
| 443 | M | A | 0.2842 | |
| 444 | V | A | 0.0000 | |
| 445 | F | A | 0.0000 | |
| 446 | Q | A | -0.3623 | |
| 447 | P | A | 0.0000 | |
| 448 | L | A | 0.0000 | |
| 449 | Q | A | -1.7489 | |
| 450 | I | A | 0.0000 | |
| 451 | N | A | -2.1241 | |
| 452 | N | A | -1.9580 | |
| 453 | Y | A | -1.0875 | |
| 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 | -0.1570 | |
| 462 | Y | A | 0.6983 | |
| 463 | S | A | 0.1135 | |
| 464 | F | A | 0.2847 | |
| 465 | T | A | 0.0000 | |
| 466 | Q | A | -0.9321 | |
| 467 | V | A | 0.0000 | |
| 468 | Y | A | 0.0000 | |
| 469 | N | A | -0.5558 | |
| 470 | W | A | 0.0000 | |
| 471 | D | A | -1.6145 | |
| 472 | A | A | -1.8279 | |
| 473 | E | A | -2.8120 | |
| 474 | K | A | -2.7818 | |
| 475 | A | A | -1.6158 | |
| 476 | K | A | -1.6111 | |
| 477 | F | A | 0.0000 | |
| 478 | V | A | -0.5666 | |
| 479 | K | A | -1.5421 | |
| 480 | F | A | -0.7638 | |
| 481 | Q | A | -1.2520 | |
| 482 | E | A | -2.0186 | |
| 483 | L | A | 0.0000 | |
| 484 | N | A | -1.4792 | |
| 485 | V | A | 0.0000 | |
| 486 | Q | A | -1.6768 | |
| 487 | A | A | 0.0000 | |
| 488 | P | A | 0.0000 | |
| 489 | R | A | -0.3783 | |
| 490 | S | A | -0.1059 | |
| 491 | F | A | 0.0000 | |
| 492 | T | A | -0.2438 | |
| 493 | H | A | -0.5842 | |
| 494 | V | A | 0.0000 | |
| 495 | S | A | -1.3206 | |
| 496 | I | A | 0.0000 | |
| 497 | N | A | -2.4517 | |
| 498 | K | A | -2.5408 | |
| 499 | R | A | -1.8848 | |
| 500 | N | A | -1.3107 | |
| 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 | -0.6082 | |
| 508 | K | A | -2.1196 | |
| 509 | G | A | -1.9732 | |
| 510 | N | A | -2.2713 | |
| 511 | T | A | 0.0000 | |
| 512 | Q | A | -1.8487 | |
| 513 | I | A | 0.0000 | |
| 514 | Y | A | 0.0000 | |
| 515 | K | A | -0.8546 | |
| 516 | H | A | 0.0000 | |
| 517 | V | A | 1.0643 | |
| 518 | I | A | 2.6228 | |
| 519 | V | A | 1.8419 | |
| 520 | D | A | 0.7542 | |
| 521 | L | A | 0.4161 | |
| 522 | S | A | -0.6395 | |
| 523 | A | A | -0.1881 | |
| 1 | Q | B | -1.7355 | |
| 2 | V | B | -0.6983 | |
| 3 | Q | B | -1.0836 | |
| 4 | L | B | 0.0000 | |
| 5 | V | B | 0.0187 | |
| 6 | Q | B | 0.0000 | |
| 7 | S | B | -0.7854 | |
| 8 | G | B | -0.7535 | |
| 9 | A | B | -0.5132 | |
| 10 | E | B | -0.5546 | |
| 11 | V | B | 0.6575 | |
| 12 | K | B | -0.9819 | |
| 13 | K | B | -2.1529 | |
| 14 | P | B | -2.1691 | |
| 15 | G | B | -1.5146 | |
| 16 | A | B | -1.2097 | |
| 17 | S | B | -1.3432 | |
| 18 | V | B | 0.0000 | |
| 19 | K | B | -2.1299 | |
| 20 | V | B | 0.0000 | |
| 21 | S | B | -0.6808 | |
| 22 | C | B | 0.0000 | |
| 23 | K | B | -0.9393 | |
| 24 | A | B | 0.0000 | |
| 25 | S | B | -0.6828 | |
| 26 | G | B | -1.1312 | |
| 27 | Y | B | 0.0000 | |
| 28 | I | B | 0.0000 | |
| 29 | F | B | 0.0000 | |
| 30 | N | B | -0.4263 | |
| 31 | T | B | 0.0000 | |
| 32 | Y | B | 0.0000 | |
| 33 | G | B | 0.0000 | |
| 34 | I | B | 0.0000 | |
| 35 | H | B | 0.0000 | |
| 36 | W | B | 0.0000 | |
| 37 | V | B | 0.0000 | |
| 38 | R | B | -0.4893 | |
| 39 | L | B | -0.4392 | |
| 40 | A | B | 0.0000 | |
| 41 | P | B | -1.0019 | |
| 42 | G | B | -1.1774 | |
| 43 | Q | B | -1.6847 | |
| 44 | G | B | -1.0441 | |
| 45 | L | B | 0.0000 | |
| 46 | E | B | -1.0425 | |
| 47 | W | B | 0.0000 | |
| 48 | M | B | 0.0000 | |
| 49 | G | B | 0.0000 | |
| 50 | S | B | 0.0000 | |
| 51 | I | B | 0.0000 | |
| 52 | N | B | 0.0000 | |
| 53 | T | B | 0.0000 | |
| 54 | A | B | -0.4945 | |
| 55 | T | B | -0.5711 | |
| 56 | G | B | -0.9943 | |
| 57 | E | B | -1.5220 | |
| 58 | I | B | -0.1642 | |
| 59 | R | B | -0.6997 | |
| 60 | Y | B | -0.4766 | |
| 61 | S | B | 0.0000 | |
| 62 | Q | B | -1.9535 | |
| 63 | T | B | -1.1156 | |
| 64 | F | B | 0.0000 | |
| 65 | Q | B | -1.9484 | |
| 66 | G | B | -1.3178 | |
| 67 | R | B | -1.1109 | |
| 68 | V | B | 0.0000 | |
| 69 | T | B | -0.7134 | |
| 70 | I | B | 0.0000 | |
| 71 | T | B | -0.6962 | |
| 72 | R | B | -1.2951 | |
| 73 | D | B | -1.3250 | |
| 74 | T | B | -0.8004 | |
| 75 | S | B | -0.5934 | |
| 76 | A | B | -0.6456 | |
| 77 | T | B | -0.7885 | |
| 78 | T | B | 0.0000 | |
| 79 | A | B | 0.0000 | |
| 80 | F | B | -0.8067 | |
| 81 | L | B | 0.0000 | |
| 82 | E | B | -1.5890 | |
| 83 | L | B | 0.0000 | |
| 84 | T | B | -1.0303 | |
| 85 | S | B | -1.0743 | |
| 86 | L | B | 0.0000 | |
| 87 | R | B | -2.8180 | |
| 88 | S | B | -2.2855 | |
| 89 | E | B | -2.4917 | |
| 90 | D | B | 0.0000 | |
| 91 | T | B | -1.0314 | |
| 92 | A | B | 0.0000 | |
| 93 | L | B | -0.1245 | |
| 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 | D | B | 0.0000 | |
| 100 | R | B | -0.2506 | |
| 101 | H | B | 0.0000 | |
| 102 | P | B | 0.0000 | |
| 103 | L | B | 0.0000 | |
| 104 | M | B | -0.3797 | |
| 105 | S | B | 0.0000 | |
| 106 | G | B | -0.1982 | |
| 107 | L | B | 0.0000 | |
| 108 | T | B | 0.0000 | |
| 109 | V | B | 0.0000 | |
| 110 | L | B | 0.0000 | |
| 111 | D | B | -0.0665 | |
| 112 | Y | B | 0.1819 | |
| 113 | W | B | 0.0000 | |
| 114 | G | B | 0.0000 | |
| 115 | Q | B | -1.4044 | |
| 116 | G | B | -0.8311 | |
| 117 | V | B | 0.0000 | |
| 118 | Q | B | -1.0804 | |
| 119 | V | B | 0.0000 | |
| 120 | T | B | -0.6250 | |
| 121 | V | B | 0.0000 | |
| 122 | S | B | -0.8846 | |
| 123 | S | B | -1.1544 | |
| 1 | D | C | -1.8366 | |
| 2 | I | C | 0.0000 | |
| 3 | V | C | 0.8046 | |
| 4 | M | C | 0.0000 | |
| 5 | T | C | -0.1917 | |
| 6 | Q | C | 0.0000 | |
| 7 | S | C | -0.0842 | |
| 8 | P | C | 0.1113 | |
| 9 | L | C | 0.6952 | |
| 10 | S | C | -0.1836 | |
| 11 | L | C | -0.3065 | |
| 12 | P | C | -0.9277 | |
| 13 | V | C | 0.0000 | |
| 14 | T | C | -1.2091 | |
| 15 | P | C | -1.5583 | |
| 16 | G | C | -1.6188 | |
| 17 | E | C | -1.8180 | |
| 18 | P | C | -1.9428 | |
| 19 | A | C | 0.0000 | |
| 20 | S | C | -0.8406 | |
| 21 | I | C | 0.0000 | |
| 22 | S | C | -0.8678 | |
| 23 | C | C | 0.0000 | |
| 24 | R | C | -1.7981 | |
| 25 | S | C | 0.0000 | |
| 26 | S | C | -0.8642 | |
| 27 | Q | C | -1.4717 | |
| 28 | S | C | -0.9360 | |
| 29 | L | C | 0.0000 | |
| 30 | V | C | 0.1688 | |
| 31 | H | C | -0.3508 | |
| 32 | G | C | -0.7085 | |
| 33 | N | C | 0.0000 | |
| 34 | G | C | -0.8552 | |
| 35 | Y | C | 0.0000 | |
| 36 | N | C | 0.0000 | |
| 37 | Y | C | 0.0000 | |
| 38 | L | C | 0.0000 | |
| 39 | N | C | 0.0000 | |
| 40 | W | C | 0.0000 | |
| 41 | Y | C | 0.0000 | |
| 42 | L | C | 0.0000 | |
| 43 | Q | C | -0.9310 | |
| 44 | K | C | -1.5403 | |
| 45 | P | C | -1.1902 | |
| 46 | G | C | -1.4625 | |
| 47 | Q | C | -2.0525 | |
| 48 | S | C | -1.2643 | |
| 49 | P | C | 0.0000 | |
| 50 | Q | C | -0.6854 | |
| 51 | L | C | 0.0000 | |
| 52 | L | C | 0.0000 | |
| 53 | I | C | 0.0000 | |
| 54 | H | C | 0.0000 | |
| 55 | L | C | 0.0000 | |
| 56 | G | C | 0.0000 | |
| 57 | F | C | 1.0078 | |
| 58 | N | C | -0.0658 | |
| 59 | R | C | -1.2338 | |
| 60 | A | C | -0.6838 | |
| 61 | S | C | -0.7104 | |
| 62 | G | C | -0.9001 | |
| 63 | V | C | -0.9813 | |
| 64 | P | C | -1.2936 | |
| 65 | D | C | -2.4160 | |
| 66 | R | C | -2.1624 | |
| 67 | F | C | 0.0000 | |
| 68 | S | C | -1.0675 | |
| 69 | G | C | -0.2362 | |
| 70 | S | C | -0.4692 | |
| 71 | G | C | -0.9298 | |
| 72 | S | C | -0.7309 | |
| 73 | G | C | -0.9087 | |
| 74 | T | C | -1.5029 | |
| 75 | E | C | -2.1981 | |
| 76 | F | C | 0.0000 | |
| 77 | T | C | -0.9696 | |
| 78 | L | C | 0.0000 | |
| 79 | K | C | -2.0296 | |
| 80 | I | C | 0.0000 | |
| 81 | S | C | -2.2954 | |
| 82 | R | C | -3.1140 | |
| 83 | V | C | 0.0000 | |
| 84 | E | C | -2.2645 | |
| 85 | A | C | -1.2599 | |
| 86 | E | C | -2.1106 | |
| 87 | D | C | 0.0000 | |
| 88 | V | C | -0.8222 | |
| 89 | G | C | 0.0000 | |
| 90 | V | C | -0.2419 | |
| 91 | Y | C | 0.0000 | |
| 92 | Y | C | 0.0000 | |
| 93 | C | C | 0.0000 | |
| 94 | M | C | 0.0000 | |
| 95 | Q | C | 0.0000 | |
| 96 | A | C | 0.0000 | |
| 97 | L | C | -0.5098 | |
| 98 | Q | C | -1.4653 | |
| 99 | T | C | -1.1489 | |
| 100 | P | C | -1.1570 | |
| 101 | Y | C | 0.0000 | |
| 102 | T | C | -0.3232 | |
| 103 | F | C | 0.0000 | |
| 104 | G | C | 0.0000 | |
| 105 | P | C | -0.3341 | |
| 106 | G | C | 0.0000 | |
| 107 | T | C | 0.0000 | |
| 108 | K | C | -1.0145 | |
| 109 | V | C | 0.0000 | |
| 110 | D | C | -0.9004 | |
| 111 | I | C | -0.6739 | |
| 112 | K | C | -1.5587 |
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 | -0.6682 | 4.3137 | View | CSV | PDB |
| 4.5 | -0.7122 | 4.314 | View | CSV | PDB |
| 5.0 | -0.7639 | 4.3147 | View | CSV | PDB |
| 5.5 | -0.812 | 4.3169 | View | CSV | PDB |
| 6.0 | -0.8444 | 4.3227 | View | CSV | PDB |
| 6.5 | -0.8529 | 4.3349 | View | CSV | PDB |
| 7.0 | -0.8388 | 4.3538 | View | CSV | PDB |
| 7.5 | -0.8099 | 4.3769 | View | CSV | PDB |
| 8.0 | -0.7727 | 4.4018 | View | CSV | PDB |
| 8.5 | -0.7293 | 4.4273 | View | CSV | PDB |
| 9.0 | -0.6792 | 4.4528 | 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