| Chain sequence(s) |
A: KKPAKPKCPAVCTCTKDNALCENARSIPRTVPPDVISLSFVRSGFTEISEGSFLFTPSLQLLLFTSNSFDVISDDAFIGLPHLEYLFIENNNIKSISRHTFRGLKSLIHLSLANNNLQTLPKDIFKGLDSLTNVDLRGNSFNCDCKLKWLVEWLGHTNATVEDIYCEGPPEYKKRKINSLSSKDFDCIITEFAKSQDLPYQSLSIDTFSYLNDEYVVIAQPFTGKCIFLEWDHVEKTFRNYDNITGTSTVVCKPIVIETQLYVIVAQLFGGSHIYKRDSFANKFIKIQDIEILKIRKPNDIETFKIENNWYFVVADSSKAGFTTIYKWNGNGFYSHQSLHAWYRDTDVEYLEIVRTPQTLRTPHLILSSSSQRPVIYQWNKATQLFTNQTDIPNMEDVYAVKHFSVKGDVYICLTRFIGDSKVMKWGGSSFQDIQRMPSRGSMVFQPLQINNYQYAILGSDYSFTQVYNWDAEKAKFVKFQELNVQAPRSFTHVSINKRNFLFASSFKGNTQIYKHVIVDLSA
C: DIQMTQSPSSLSASVGDRLTITCRASQNIVIYLNWYQHKPGKAPELLIYAASSLHSGVPSRFSGSGSGTDFTLTISSLQPEDFATYYCQQTYTTPQTFGPGTKVDIR B: QVQLVQSGAEVKKPGASVKVSCKASGYTFSGYYLHWVRQAPGQGLEWMGWINPDSGDTNYAQKFQGWVTMTRDTSISTALMELRRLRTDDAAVYYCARSRTGKIAHYGMDVWGQGTTVTVSS 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 (00:10:59)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/77ab5cf79a0b4ec/tmp/folded.pdb (00:10:59)
[INFO] Main: Simulation completed successfully. (00:22:11)
|
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 | -2.5798 | |
| 2 | K | A | -2.8970 | |
| 3 | P | A | -1.9900 | |
| 4 | A | A | -1.9519 | |
| 5 | K | A | -2.5092 | |
| 6 | P | A | -1.9996 | |
| 7 | K | A | -2.1254 | |
| 8 | C | A | -0.7740 | |
| 9 | P | A | -0.3824 | |
| 10 | A | A | 0.0888 | |
| 11 | V | A | -0.0115 | |
| 12 | C | A | 0.0437 | |
| 13 | T | A | 0.1049 | |
| 14 | C | A | -0.5142 | |
| 15 | T | A | -1.0236 | |
| 16 | K | A | -2.3870 | |
| 17 | D | A | -2.1177 | |
| 18 | N | A | 0.0000 | |
| 19 | A | A | 0.0000 | |
| 20 | L | A | 0.0000 | |
| 21 | C | A | 0.0000 | |
| 22 | E | A | -2.1106 | |
| 23 | N | A | -2.4261 | |
| 24 | A | A | 0.0000 | |
| 25 | R | A | -2.4911 | |
| 26 | S | A | -1.5366 | |
| 27 | I | A | -0.8833 | |
| 28 | P | A | -0.8942 | |
| 29 | R | A | -1.4226 | |
| 30 | T | A | -1.1314 | |
| 31 | V | A | 0.0000 | |
| 32 | P | A | 0.0000 | |
| 33 | P | A | -0.8025 | |
| 34 | D | A | -2.1452 | |
| 35 | V | A | 0.0000 | |
| 36 | I | A | -0.8350 | |
| 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 | -2.0925 | |
| 43 | S | A | -1.9468 | |
| 44 | G | A | -2.1385 | |
| 45 | F | A | 0.0000 | |
| 46 | T | A | -1.6703 | |
| 47 | E | A | -1.8466 | |
| 48 | I | A | 0.0000 | |
| 49 | S | A | -1.5914 | |
| 50 | E | A | -2.1290 | |
| 51 | G | A | -0.4090 | |
| 52 | S | A | -0.4231 | |
| 53 | F | A | 0.0000 | |
| 54 | L | A | 1.4524 | |
| 55 | F | A | 0.8179 | |
| 56 | T | A | 0.0000 | |
| 57 | P | A | 0.0065 | |
| 58 | S | A | -0.6084 | |
| 59 | L | A | 0.0000 | |
| 60 | Q | A | -0.5213 | |
| 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 | -0.9094 | |
| 67 | N | A | 0.0000 | |
| 68 | S | A | -1.6017 | |
| 69 | F | A | 0.0000 | |
| 70 | D | A | -1.9364 | |
| 71 | V | A | -1.1192 | |
| 72 | I | A | 0.0000 | |
| 73 | S | A | -1.7309 | |
| 74 | D | A | -2.3074 | |
| 75 | D | A | -1.9818 | |
| 76 | A | A | 0.0000 | |
| 77 | F | A | 0.0000 | |
| 78 | I | A | -0.1937 | |
| 79 | G | A | -0.0826 | |
| 80 | L | A | 0.0000 | |
| 81 | P | A | -1.1855 | |
| 82 | H | A | -1.4871 | |
| 83 | L | A | 0.0000 | |
| 84 | E | A | -0.8153 | |
| 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 | -0.9358 | |
| 91 | N | A | 0.0000 | |
| 92 | N | A | -2.3422 | |
| 93 | I | A | 0.0000 | |
| 94 | K | A | -2.6323 | |
| 95 | S | A | -1.6724 | |
| 96 | I | A | 0.0000 | |
| 97 | S | A | -1.4756 | |
| 98 | R | A | -3.3446 | |
| 99 | H | A | -2.8690 | |
| 100 | T | A | 0.0000 | |
| 101 | F | A | 0.0000 | |
| 102 | R | A | -2.5284 | |
| 103 | G | A | -1.5413 | |
| 104 | L | A | 0.0000 | |
| 105 | K | A | -2.9607 | |
| 106 | S | A | -1.6154 | |
| 107 | L | A | 0.0000 | |
| 108 | I | A | -0.3764 | |
| 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 | -1.4494 | |
| 115 | N | A | 0.0000 | |
| 116 | N | A | -2.4914 | |
| 117 | L | A | 0.0000 | |
| 118 | Q | A | -2.3363 | |
| 119 | T | A | -1.6213 | |
| 120 | L | A | 0.0000 | |
| 121 | P | A | -1.9042 | |
| 122 | K | A | -2.7459 | |
| 123 | D | A | -3.1437 | |
| 124 | I | A | 0.0000 | |
| 125 | F | A | 0.0000 | |
| 126 | K | A | -3.5552 | |
| 127 | G | A | -2.7966 | |
| 128 | L | A | 0.0000 | |
| 129 | D | A | -2.8639 | |
| 130 | S | A | -1.5801 | |
| 131 | L | A | 0.0000 | |
| 132 | T | A | -0.4815 | |
| 133 | N | A | 0.0000 | |
| 134 | V | A | 0.0000 | |
| 135 | D | A | 0.0000 | |
| 136 | L | A | 0.0000 | |
| 137 | R | A | -1.2097 | |
| 138 | G | A | -1.2241 | |
| 139 | N | A | -1.6059 | |
| 140 | S | A | -1.8338 | |
| 141 | F | A | 0.0000 | |
| 142 | N | A | -1.8455 | |
| 143 | C | A | 0.0000 | |
| 144 | D | A | -1.5019 | |
| 145 | C | A | -1.3543 | |
| 146 | K | A | -2.1459 | |
| 147 | L | A | 0.0000 | |
| 148 | K | A | -1.7092 | |
| 149 | W | A | 0.0000 | |
| 150 | L | A | 0.0000 | |
| 151 | V | A | 0.0000 | |
| 152 | E | A | -1.6023 | |
| 153 | W | A | -1.4690 | |
| 154 | L | A | -0.8609 | |
| 155 | G | A | -1.4369 | |
| 156 | H | A | -1.6450 | |
| 157 | T | A | -1.4263 | |
| 158 | N | A | -1.7189 | |
| 159 | A | A | 0.0000 | |
| 160 | T | A | -0.7604 | |
| 161 | V | A | -0.8903 | |
| 162 | E | A | -1.7194 | |
| 163 | D | A | -1.7115 | |
| 164 | I | A | 0.0000 | |
| 165 | Y | A | -1.5833 | |
| 166 | C | A | 0.0000 | |
| 167 | E | A | -3.2480 | |
| 168 | G | A | -2.5912 | |
| 169 | P | A | -1.9501 | |
| 170 | P | A | -2.2759 | |
| 171 | E | A | -2.9238 | |
| 172 | Y | A | -2.8082 | |
| 173 | K | A | -3.9881 | |
| 174 | K | A | -3.5724 | |
| 175 | R | A | -2.8909 | |
| 176 | K | A | -1.9842 | |
| 177 | I | A | 0.0000 | |
| 178 | N | A | -1.2547 | |
| 179 | S | A | -0.8239 | |
| 180 | L | A | -1.0726 | |
| 181 | S | A | -1.4063 | |
| 182 | S | A | -1.8618 | |
| 183 | K | A | -2.7815 | |
| 184 | D | A | -2.4681 | |
| 185 | F | A | -1.9475 | |
| 186 | D | A | -1.9586 | |
| 187 | C | A | 0.0000 | |
| 188 | I | A | 1.6618 | |
| 189 | I | A | 1.7714 | |
| 190 | T | A | 1.3241 | |
| 191 | E | A | -0.1311 | |
| 192 | F | A | 0.0000 | |
| 193 | A | A | -1.1188 | |
| 194 | K | A | -2.4541 | |
| 195 | S | A | -1.6158 | |
| 196 | Q | A | -1.8591 | |
| 197 | D | A | -2.5706 | |
| 198 | L | A | 0.0000 | |
| 199 | P | A | -1.1126 | |
| 200 | Y | A | -0.7177 | |
| 201 | Q | A | -0.7920 | |
| 202 | S | A | 0.0000 | |
| 203 | L | A | 0.1992 | |
| 204 | S | A | -0.1222 | |
| 205 | I | A | 0.0000 | |
| 206 | D | A | -0.4169 | |
| 207 | T | A | -0.4089 | |
| 208 | F | A | 0.0000 | |
| 209 | S | A | -0.7153 | |
| 210 | Y | A | 0.0000 | |
| 211 | L | A | 0.3568 | |
| 212 | N | A | -1.3172 | |
| 213 | D | A | -1.8775 | |
| 214 | E | A | -1.5250 | |
| 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 | 0.8853 | |
| 222 | F | A | 1.8097 | |
| 223 | T | A | 0.6065 | |
| 224 | G | A | 0.0000 | |
| 225 | K | A | -0.4626 | |
| 226 | C | A | 0.0000 | |
| 227 | I | A | 0.0000 | |
| 228 | F | A | 0.0000 | |
| 229 | L | A | 0.0000 | |
| 230 | E | A | -1.4976 | |
| 231 | W | A | 0.0000 | |
| 232 | D | A | -1.8012 | |
| 233 | H | A | -1.5365 | |
| 234 | V | A | -0.1954 | |
| 235 | E | A | -2.2985 | |
| 236 | K | A | -2.6069 | |
| 237 | T | A | -1.8622 | |
| 238 | F | A | 0.0000 | |
| 239 | R | A | -2.5843 | |
| 240 | N | A | -2.1217 | |
| 241 | Y | A | -1.0865 | |
| 242 | D | A | -1.4359 | |
| 243 | N | A | -1.1738 | |
| 244 | I | A | 0.0000 | |
| 245 | T | A | -0.5200 | |
| 246 | G | A | -0.1024 | |
| 247 | T | A | 0.5161 | |
| 248 | S | A | 0.9269 | |
| 249 | T | A | 0.0000 | |
| 250 | V | A | 0.0000 | |
| 251 | V | A | 0.0000 | |
| 252 | C | A | 0.0000 | |
| 253 | K | A | -0.3947 | |
| 254 | P | A | 0.0000 | |
| 255 | I | A | 0.0000 | |
| 256 | V | A | -0.1111 | |
| 257 | I | A | 0.0000 | |
| 258 | E | A | -2.0218 | |
| 259 | T | A | -0.9941 | |
| 260 | Q | A | -1.1462 | |
| 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 | 0.9893 | |
| 269 | F | A | 1.8602 | |
| 270 | G | A | 0.6842 | |
| 271 | G | A | 0.0000 | |
| 272 | S | A | 0.0000 | |
| 273 | H | A | -1.2339 | |
| 274 | I | A | 0.0000 | |
| 275 | Y | A | -0.6713 | |
| 276 | K | A | -0.6495 | |
| 277 | R | A | 0.0000 | |
| 278 | D | A | -0.7373 | |
| 279 | S | A | -0.3412 | |
| 280 | F | A | 1.0931 | |
| 281 | A | A | -0.1539 | |
| 282 | N | A | -1.4546 | |
| 283 | K | A | -1.9463 | |
| 284 | F | A | -1.0372 | |
| 285 | I | A | -0.4551 | |
| 286 | K | A | -1.3188 | |
| 287 | I | A | -0.4539 | |
| 288 | Q | A | -1.3384 | |
| 289 | D | A | -2.2604 | |
| 290 | I | A | 0.0000 | |
| 291 | E | A | -1.3227 | |
| 292 | I | A | 0.8419 | |
| 293 | L | A | 1.2799 | |
| 294 | K | A | 0.0639 | |
| 295 | I | A | 0.0000 | |
| 296 | R | A | -0.3798 | |
| 297 | K | A | -0.7973 | |
| 298 | P | A | 0.0000 | |
| 299 | N | A | -0.8747 | |
| 300 | D | A | -0.5991 | |
| 301 | I | A | 0.0000 | |
| 302 | E | A | -0.3231 | |
| 303 | T | A | -0.3032 | |
| 304 | F | A | 0.0000 | |
| 305 | K | A | -1.9431 | |
| 306 | I | A | 0.0000 | |
| 307 | E | A | -3.0561 | |
| 308 | N | A | -2.7059 | |
| 309 | N | A | -2.4460 | |
| 310 | W | A | -1.4052 | |
| 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 | -1.3800 | |
| 318 | S | A | -1.5096 | |
| 319 | K | A | -1.6612 | |
| 320 | A | A | -0.5609 | |
| 321 | G | A | 0.0000 | |
| 322 | F | A | 0.1058 | |
| 323 | T | A | 0.0000 | |
| 324 | T | A | 0.0000 | |
| 325 | I | A | 0.0000 | |
| 326 | Y | A | 0.0000 | |
| 327 | K | A | -0.9686 | |
| 328 | W | A | -1.1962 | |
| 329 | N | A | -1.8825 | |
| 330 | G | A | -1.9619 | |
| 331 | N | A | -1.6842 | |
| 332 | G | A | 0.0000 | |
| 333 | F | A | 0.0000 | |
| 334 | Y | A | 0.1597 | |
| 335 | S | A | -0.2507 | |
| 336 | H | A | -0.2831 | |
| 337 | Q | A | -0.2335 | |
| 338 | S | A | -0.1320 | |
| 339 | L | A | 0.0000 | |
| 340 | H | A | 0.0000 | |
| 341 | A | A | 0.3612 | |
| 342 | W | A | 0.5233 | |
| 343 | Y | A | -0.2801 | |
| 344 | R | A | -1.9108 | |
| 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 | -0.2299 | |
| 351 | L | A | 0.0000 | |
| 352 | E | A | -0.8704 | |
| 353 | I | A | 0.0000 | |
| 354 | V | A | -0.5190 | |
| 355 | R | A | -0.8691 | |
| 356 | T | A | -0.6746 | |
| 357 | P | A | -0.7255 | |
| 358 | Q | A | -1.1189 | |
| 359 | T | A | -0.2434 | |
| 360 | L | A | 0.3625 | |
| 361 | R | A | -1.1470 | |
| 362 | T | A | -0.9780 | |
| 363 | P | A | -0.7826 | |
| 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 | -1.6665 | |
| 371 | S | A | -2.0046 | |
| 372 | Q | A | -2.5598 | |
| 373 | R | A | -3.0890 | |
| 374 | P | A | 0.0000 | |
| 375 | V | A | 0.0000 | |
| 376 | I | A | 0.0000 | |
| 377 | Y | A | 0.0000 | |
| 378 | Q | A | -1.1732 | |
| 379 | W | A | 0.0000 | |
| 380 | N | A | -1.4728 | |
| 381 | K | A | -2.2448 | |
| 382 | A | A | -1.0333 | |
| 383 | T | A | -0.8253 | |
| 384 | Q | A | -1.2242 | |
| 385 | L | A | -0.5125 | |
| 386 | F | A | 0.0000 | |
| 387 | T | A | -1.0986 | |
| 388 | N | A | -1.9361 | |
| 389 | Q | A | -2.2834 | |
| 390 | T | A | -1.9941 | |
| 391 | D | A | -2.6479 | |
| 392 | I | A | 0.0000 | |
| 393 | P | A | -2.0065 | |
| 394 | N | A | -2.4044 | |
| 395 | M | A | 0.0000 | |
| 396 | E | A | -3.4914 | |
| 397 | D | A | -2.8440 | |
| 398 | V | A | 0.0000 | |
| 399 | Y | A | -0.4597 | |
| 400 | A | A | 0.0000 | |
| 401 | V | A | 0.0000 | |
| 402 | K | A | -0.4681 | |
| 403 | H | A | -0.5745 | |
| 404 | F | A | 0.0000 | |
| 405 | S | A | -1.0329 | |
| 406 | V | A | -1.2741 | |
| 407 | K | A | -2.0688 | |
| 408 | G | A | -1.5991 | |
| 409 | D | A | -1.5243 | |
| 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 | -0.4661 | |
| 417 | F | A | 0.6784 | |
| 418 | I | A | 1.0592 | |
| 419 | G | A | -0.5781 | |
| 420 | D | A | -1.5756 | |
| 421 | S | A | 0.0000 | |
| 422 | K | A | 0.0000 | |
| 423 | V | A | 0.0000 | |
| 424 | M | A | 0.0000 | |
| 425 | K | A | -1.5184 | |
| 426 | W | A | 0.0000 | |
| 427 | G | A | -1.1201 | |
| 428 | G | A | -0.8988 | |
| 429 | S | A | -0.6882 | |
| 430 | S | A | -1.3168 | |
| 431 | F | A | 0.0000 | |
| 432 | Q | A | -2.3497 | |
| 433 | D | A | -2.6271 | |
| 434 | I | A | -1.4354 | |
| 435 | Q | A | -1.8237 | |
| 436 | R | A | -2.6032 | |
| 437 | M | A | 0.0000 | |
| 438 | P | A | -1.2014 | |
| 439 | S | A | 0.0000 | |
| 440 | R | A | -0.8791 | |
| 441 | G | A | 0.0000 | |
| 442 | S | A | 0.0000 | |
| 443 | M | A | 0.2204 | |
| 444 | V | A | 0.0000 | |
| 445 | F | A | 0.0000 | |
| 446 | Q | A | -0.3654 | |
| 447 | P | A | 0.0000 | |
| 448 | L | A | 0.0000 | |
| 449 | Q | A | -1.6657 | |
| 450 | I | A | 0.0000 | |
| 451 | N | A | -2.2863 | |
| 452 | N | A | -1.9687 | |
| 453 | Y | A | -1.1155 | |
| 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 | -0.1730 | |
| 462 | Y | A | 0.6952 | |
| 463 | S | A | 0.0867 | |
| 464 | F | A | 0.0896 | |
| 465 | T | A | 0.0000 | |
| 466 | Q | A | -0.9829 | |
| 467 | V | A | 0.0000 | |
| 468 | Y | A | 0.0000 | |
| 469 | N | A | -0.5554 | |
| 470 | W | A | 0.0000 | |
| 471 | D | A | -1.6099 | |
| 472 | A | A | -1.7966 | |
| 473 | E | A | -2.8036 | |
| 474 | K | A | -2.7805 | |
| 475 | A | A | -1.6511 | |
| 476 | K | A | -1.6081 | |
| 477 | F | A | 0.0000 | |
| 478 | V | A | -0.5909 | |
| 479 | K | A | -1.5390 | |
| 480 | F | A | -0.7314 | |
| 481 | Q | A | -1.2227 | |
| 482 | E | A | -1.9211 | |
| 483 | L | A | 0.0000 | |
| 484 | N | A | -1.7007 | |
| 485 | V | A | 0.0000 | |
| 486 | Q | A | -1.7298 | |
| 487 | A | A | 0.0000 | |
| 488 | P | A | 0.0000 | |
| 489 | R | A | -0.4234 | |
| 490 | S | A | -0.1363 | |
| 491 | F | A | 0.0000 | |
| 492 | T | A | -0.2460 | |
| 493 | H | A | -0.5348 | |
| 494 | V | A | 0.0000 | |
| 495 | S | A | -1.3533 | |
| 496 | I | A | 0.0000 | |
| 497 | N | A | -2.6559 | |
| 498 | K | A | -2.8205 | |
| 499 | R | A | -1.9611 | |
| 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 | -0.6278 | |
| 508 | K | A | -2.1227 | |
| 509 | G | A | -1.9530 | |
| 510 | N | A | -2.1889 | |
| 511 | T | A | 0.0000 | |
| 512 | Q | A | -1.8311 | |
| 513 | I | A | 0.0000 | |
| 514 | Y | A | 0.0000 | |
| 515 | K | A | -0.8509 | |
| 516 | H | A | 0.0000 | |
| 517 | V | A | 1.0371 | |
| 518 | I | A | 2.4542 | |
| 519 | V | A | 1.8867 | |
| 520 | D | A | 0.7700 | |
| 521 | L | A | 0.3857 | |
| 522 | S | A | 0.0000 | |
| 523 | A | A | -0.2609 | |
| 1 | Q | B | -1.5303 | |
| 2 | V | B | -0.9381 | |
| 3 | Q | B | -1.0314 | |
| 4 | L | B | 0.0000 | |
| 5 | V | B | 0.4639 | |
| 6 | Q | B | 0.0000 | |
| 7 | S | B | -0.5776 | |
| 8 | G | B | -0.6151 | |
| 9 | A | B | -0.0845 | |
| 10 | E | B | -0.2351 | |
| 11 | V | B | 0.8757 | |
| 12 | K | B | -0.8257 | |
| 13 | K | B | -2.1848 | |
| 14 | P | B | -2.3853 | |
| 15 | G | B | -2.3530 | |
| 16 | A | B | -1.9544 | |
| 17 | S | B | -2.0113 | |
| 18 | V | B | 0.0000 | |
| 19 | K | B | -1.8528 | |
| 20 | V | B | 0.0000 | |
| 21 | S | B | -0.4950 | |
| 22 | C | B | 0.0000 | |
| 23 | K | B | -0.5408 | |
| 24 | A | B | 0.0000 | |
| 25 | S | B | -0.4147 | |
| 26 | G | B | -0.7727 | |
| 27 | Y | B | -0.2684 | |
| 28 | T | B | 0.0165 | |
| 29 | F | B | 0.0000 | |
| 30 | S | B | -1.0280 | |
| 31 | G | B | 0.0000 | |
| 32 | Y | B | 0.0000 | |
| 33 | Y | B | -0.3476 | |
| 34 | L | B | 0.0000 | |
| 35 | H | B | 0.0000 | |
| 36 | W | B | 0.0000 | |
| 37 | V | B | 0.0000 | |
| 38 | R | B | 0.0000 | |
| 39 | Q | B | -0.6371 | |
| 40 | A | B | -1.0586 | |
| 41 | P | B | -1.0615 | |
| 42 | G | B | -1.2129 | |
| 43 | Q | B | -1.6986 | |
| 44 | G | B | -1.0574 | |
| 45 | L | B | 0.0000 | |
| 46 | E | B | -0.6554 | |
| 47 | W | B | 0.0000 | |
| 48 | M | B | 0.0000 | |
| 49 | G | B | 0.0000 | |
| 50 | W | B | -0.2130 | |
| 51 | I | B | 0.0000 | |
| 52 | N | B | -1.4954 | |
| 53 | P | B | 0.0000 | |
| 54 | D | B | -2.4864 | |
| 55 | S | B | -1.8513 | |
| 56 | G | B | -1.9731 | |
| 57 | D | B | -2.3987 | |
| 58 | T | B | -1.0889 | |
| 59 | N | B | -0.9505 | |
| 60 | Y | B | -0.9095 | |
| 61 | A | B | 0.0000 | |
| 62 | Q | B | -2.6697 | |
| 63 | K | B | -2.6051 | |
| 64 | F | B | 0.0000 | |
| 65 | Q | B | -2.2323 | |
| 66 | G | B | -1.4582 | |
| 67 | W | B | -1.4758 | |
| 68 | V | B | 0.0000 | |
| 69 | T | B | -0.5542 | |
| 70 | M | B | 0.0000 | |
| 71 | T | B | -0.7493 | |
| 72 | R | B | -1.4846 | |
| 73 | D | B | -1.2861 | |
| 74 | T | B | -0.5918 | |
| 75 | S | B | 0.2803 | |
| 76 | I | B | 1.2504 | |
| 77 | S | B | 0.0768 | |
| 78 | T | B | -0.2333 | |
| 79 | A | B | 0.0000 | |
| 80 | L | B | -0.5861 | |
| 81 | M | B | 0.0000 | |
| 82 | E | B | 0.0000 | |
| 83 | L | B | 0.0000 | |
| 84 | R | B | -2.6174 | |
| 85 | R | B | -3.0395 | |
| 86 | L | B | 0.0000 | |
| 87 | R | B | -2.7109 | |
| 88 | T | B | -1.8409 | |
| 89 | D | B | -2.1944 | |
| 90 | D | B | 0.0000 | |
| 91 | A | B | -0.7160 | |
| 92 | A | B | 0.0000 | |
| 93 | V | B | 0.0870 | |
| 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 | S | B | 0.0000 | |
| 100 | R | B | 0.0000 | |
| 101 | T | B | 0.0000 | |
| 102 | G | B | 0.0000 | |
| 103 | K | B | 0.0000 | |
| 104 | I | B | 0.0000 | |
| 105 | A | B | 0.0315 | |
| 106 | H | B | -0.0477 | |
| 107 | Y | B | 0.0000 | |
| 108 | G | B | 0.0000 | |
| 109 | M | B | 0.0000 | |
| 110 | D | B | -0.3920 | |
| 111 | V | B | -0.4021 | |
| 112 | W | B | 0.0000 | |
| 113 | G | B | 0.0000 | |
| 114 | Q | B | -1.4440 | |
| 115 | G | B | -0.7586 | |
| 116 | T | B | 0.0000 | |
| 117 | T | B | -0.0068 | |
| 118 | V | B | 0.0000 | |
| 119 | T | B | -0.1105 | |
| 120 | V | B | 0.0000 | |
| 121 | S | B | -0.7069 | |
| 122 | S | B | -1.0424 | |
| 1 | D | C | -2.3773 | |
| 2 | I | C | 0.0000 | |
| 3 | Q | C | -2.1959 | |
| 4 | M | C | 0.0000 | |
| 5 | T | C | -1.2241 | |
| 6 | Q | C | 0.0000 | |
| 7 | S | C | -0.6780 | |
| 8 | P | C | -0.5422 | |
| 9 | S | C | -0.7251 | |
| 10 | S | C | -0.9301 | |
| 11 | L | C | -0.5568 | |
| 12 | S | C | -0.6995 | |
| 13 | A | C | 0.0000 | |
| 14 | S | C | -0.1518 | |
| 15 | V | C | 0.6172 | |
| 16 | G | C | -0.6792 | |
| 17 | D | C | -1.5111 | |
| 18 | R | C | -2.2142 | |
| 19 | L | C | 0.0000 | |
| 20 | T | C | -0.6357 | |
| 21 | I | C | 0.0000 | |
| 22 | T | C | -0.7954 | |
| 23 | C | C | 0.0000 | |
| 24 | R | C | -2.7456 | |
| 25 | A | C | 0.0000 | |
| 26 | S | C | -2.0324 | |
| 27 | Q | C | -2.2415 | |
| 28 | N | C | -2.0500 | |
| 29 | I | C | 0.0000 | |
| 30 | V | C | 0.0000 | |
| 31 | I | C | 0.0000 | |
| 32 | Y | C | 0.0000 | |
| 33 | L | C | 0.0000 | |
| 34 | N | C | 0.0000 | |
| 35 | W | C | 0.0000 | |
| 36 | Y | C | 0.0000 | |
| 37 | Q | C | 0.0000 | |
| 38 | H | C | 0.0000 | |
| 39 | K | C | -1.7765 | |
| 40 | P | C | -1.2129 | |
| 41 | G | C | -1.6519 | |
| 42 | K | C | -2.6149 | |
| 43 | A | C | -1.6783 | |
| 44 | P | C | 0.0000 | |
| 45 | E | C | -1.5306 | |
| 46 | L | C | 0.0000 | |
| 47 | L | C | 0.0000 | |
| 48 | I | C | 0.0000 | |
| 49 | Y | C | 0.0000 | |
| 50 | A | C | 0.0000 | |
| 51 | A | C | 0.0000 | |
| 52 | S | C | -0.2304 | |
| 53 | S | C | 0.0000 | |
| 54 | L | C | -0.1709 | |
| 55 | H | C | -0.4425 | |
| 56 | S | C | 0.0000 | |
| 57 | G | C | -0.8889 | |
| 58 | V | C | -0.4382 | |
| 59 | P | C | -0.4628 | |
| 60 | S | C | -0.5800 | |
| 61 | R | C | -0.8030 | |
| 62 | F | C | 0.0000 | |
| 63 | S | C | -0.3661 | |
| 64 | G | C | -0.2647 | |
| 65 | S | C | -0.5064 | |
| 66 | G | C | -0.8174 | |
| 67 | S | C | -0.9655 | |
| 68 | G | C | -1.3607 | |
| 69 | T | C | -1.8475 | |
| 70 | D | C | -1.9567 | |
| 71 | F | C | 0.0000 | |
| 72 | T | C | -0.6654 | |
| 73 | L | C | 0.0000 | |
| 74 | T | C | -0.5985 | |
| 75 | I | C | 0.0000 | |
| 76 | S | C | -1.2861 | |
| 77 | S | C | -1.1008 | |
| 78 | L | C | 0.0000 | |
| 79 | Q | C | -0.9476 | |
| 80 | P | C | -0.6147 | |
| 81 | E | C | -1.8040 | |
| 82 | D | C | 0.0000 | |
| 83 | F | C | -0.4081 | |
| 84 | A | C | 0.0000 | |
| 85 | T | C | -0.8718 | |
| 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 | Y | C | 0.0083 | |
| 93 | T | C | -0.2183 | |
| 94 | T | C | -0.5116 | |
| 95 | P | C | 0.0000 | |
| 96 | Q | C | 0.0000 | |
| 97 | T | C | -0.6786 | |
| 98 | F | C | 0.0000 | |
| 99 | G | C | 0.0000 | |
| 100 | P | C | -0.8923 | |
| 101 | G | C | 0.0000 | |
| 102 | T | C | 0.0000 | |
| 103 | K | C | -1.5721 | |
| 104 | V | C | 0.0000 | |
| 105 | D | C | -0.6840 | |
| 106 | I | C | 0.9262 | |
| 107 | R | C | -0.9357 |
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 | -0.6614 | 4.309 | View | CSV | PDB |
| 4.5 | -0.7068 | 4.3092 | View | CSV | PDB |
| 5.0 | -0.7593 | 4.3098 | View | CSV | PDB |
| 5.5 | -0.8078 | 4.3116 | View | CSV | PDB |
| 6.0 | -0.8409 | 4.3165 | View | CSV | PDB |
| 6.5 | -0.8519 | 4.3274 | View | CSV | PDB |
| 7.0 | -0.8425 | 4.3452 | View | CSV | PDB |
| 7.5 | -0.82 | 4.3676 | View | CSV | PDB |
| 8.0 | -0.7899 | 4.3985 | View | CSV | PDB |
| 8.5 | -0.7531 | 4.4297 | View | CSV | PDB |
| 9.0 | -0.7085 | 4.4601 | 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