| Chain sequence(s) |
A: GSSHHHHHHGSSMKIEEGKLVIWINGDKGYNGLAEVGKKFEKDTGIKVTVEHPDKLEEKFPQVAATGDGPDIIFWAHDRFGGYAQSGLLAEITPDKAFQDKLYPFTWDAVRYNGKLIAYPIAVEALSLIYNKDLLPNPPKTWEEIPALDKELKAKGKSALMFNLQEPYFTWPLIAADGGYAFKYENGKYDIKDVGVDNAGAKAGLTFLVDLIKNKHMNADTDYSIAEAAFNKGETAMTINGPWAWSNIDTSKVNYGVTVLPTFKGQPSKPFVGVLSAGINAASPNKELAKEFLENYLLTDEGLEAVNKDKPLGAVALKSYEEELAKDPRIAATMENAQKGEIMPNIPQMSAFWYAVRTAVINAASGRQTVDEALKDAQTNSSSNNNNNNNNNNLGIEENLYFQSTALRQGVPQKPYTFLDEKARGRFGVIRLAKENATGKLFMAKIVPYEAERKQSVLQEYEILKALHHERIMALHEAYITPRYLVLICENCAGKEILYSIVDRERYSEDDVVSYVYQLLQGLEYLHGRRIVHLDIKPDNVVVSGTNALKIIDFGSAQTYNPSDLRQLGRRVGTLEYMSPEVVKGDPVGSAADVWGVGVLTYIMLSGRSPFFEKDPAETENRILAGRFDFDKLYPNVSQSAADFIRKVLTVHPESRPTVKDCFANTWLQDADEEKERRQTLTFTTNRLKEFLVEHQRRRGEAVTKHKVLLRSYQGGQ
input PDB |
| Selected Chain(s) | A |
| 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] (00:00:01)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:01)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with A chain(s) selected (00:00:01)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:01)
[INFO] PDB-Info: The input structure is globular. Max score is recommended for pH analysis. (00:00:05)
[INFO] FoldX: Starting FoldX energy minimization (00:00:05)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:21:06)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/ad8e803df2ef1cb/tmp/folded.pdb (00:21:06)
[INFO] Main: Simulation completed successfully. (00:27:23)
|
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 | G | A | -0.7571 | |
| 2 | S | A | -0.9679 | |
| 3 | S | A | -1.3477 | |
| 4 | H | A | -2.1408 | |
| 5 | H | A | -2.4806 | |
| 6 | H | A | -2.7348 | |
| 7 | H | A | -2.7756 | |
| 8 | H | A | -2.5747 | |
| 9 | H | A | -2.2666 | |
| 10 | G | A | -1.4533 | |
| 11 | S | A | -1.0931 | |
| 12 | S | A | -0.8131 | |
| 13 | M | A | -0.6561 | |
| 14 | K | A | -2.0626 | |
| 15 | I | A | 0.0000 | |
| 16 | E | A | -2.3870 | |
| 17 | E | A | -2.7973 | |
| 18 | G | A | -1.8084 | |
| 19 | K | A | -1.8175 | |
| 20 | L | A | 0.0000 | |
| 21 | V | A | 0.0000 | |
| 22 | I | A | 0.0000 | |
| 23 | W | A | 0.0000 | |
| 24 | I | A | 0.0000 | |
| 25 | N | A | -1.7199 | |
| 26 | G | A | -2.0204 | |
| 27 | D | A | -2.1165 | |
| 28 | K | A | -1.8346 | |
| 29 | G | A | 0.0000 | |
| 30 | Y | A | -1.4500 | |
| 31 | N | A | -2.0671 | |
| 32 | G | A | 0.0000 | |
| 33 | L | A | 0.0000 | |
| 34 | A | A | -1.7408 | |
| 35 | E | A | -2.9020 | |
| 36 | V | A | 0.0000 | |
| 37 | G | A | 0.0000 | |
| 38 | K | A | -3.7952 | |
| 39 | K | A | -3.2900 | |
| 40 | F | A | 0.0000 | |
| 41 | E | A | -3.6878 | |
| 42 | K | A | -3.8661 | |
| 43 | D | A | -3.3372 | |
| 44 | T | A | -2.1627 | |
| 45 | G | A | -2.2908 | |
| 46 | I | A | -2.0513 | |
| 47 | K | A | -2.2484 | |
| 48 | V | A | 0.0000 | |
| 49 | T | A | -0.7117 | |
| 50 | V | A | -0.7510 | |
| 51 | E | A | -1.3975 | |
| 52 | H | A | -2.0909 | |
| 53 | P | A | -1.8561 | |
| 54 | D | A | -2.7107 | |
| 55 | K | A | -2.1393 | |
| 56 | L | A | 0.0000 | |
| 57 | E | A | 0.0000 | |
| 58 | E | A | -1.7500 | |
| 59 | K | A | -1.9280 | |
| 60 | F | A | 0.0000 | |
| 61 | P | A | -1.0931 | |
| 62 | Q | A | -1.5499 | |
| 63 | V | A | -0.9429 | |
| 64 | A | A | 0.0000 | |
| 65 | A | A | -0.4808 | |
| 66 | T | A | -0.6378 | |
| 67 | G | A | -0.7277 | |
| 68 | D | A | -1.0348 | |
| 69 | G | A | 0.0000 | |
| 70 | P | A | 0.0000 | |
| 71 | D | A | 0.0000 | |
| 72 | I | A | 0.0000 | |
| 73 | I | A | 0.0000 | |
| 74 | F | A | 0.0000 | |
| 75 | W | A | 0.0000 | |
| 76 | A | A | 0.0000 | |
| 77 | H | A | 0.0000 | |
| 78 | D | A | 0.0000 | |
| 79 | R | A | 0.0000 | |
| 80 | F | A | 0.0000 | |
| 81 | G | A | 0.0000 | |
| 82 | G | A | 0.0000 | |
| 83 | Y | A | 0.0000 | |
| 84 | A | A | -1.3787 | |
| 85 | Q | A | -1.7611 | |
| 86 | S | A | -1.1912 | |
| 87 | G | A | -1.1297 | |
| 88 | L | A | 0.0000 | |
| 89 | L | A | 0.0000 | |
| 90 | A | A | 0.0000 | |
| 91 | E | A | -2.2856 | |
| 92 | I | A | 0.0000 | |
| 93 | T | A | -1.6387 | |
| 94 | P | A | 0.0000 | |
| 95 | D | A | -2.9110 | |
| 96 | K | A | -3.2353 | |
| 97 | A | A | -2.2091 | |
| 98 | F | A | 0.0000 | |
| 99 | Q | A | -2.4872 | |
| 100 | D | A | -3.1537 | |
| 101 | K | A | -2.3556 | |
| 102 | L | A | 0.0000 | |
| 103 | Y | A | -0.9050 | |
| 104 | P | A | -0.8895 | |
| 105 | F | A | -0.3624 | |
| 106 | T | A | 0.0000 | |
| 107 | W | A | 0.0000 | |
| 108 | D | A | -1.0133 | |
| 109 | A | A | 0.0000 | |
| 110 | V | A | 0.0000 | |
| 111 | R | A | -1.9721 | |
| 112 | Y | A | -2.0396 | |
| 113 | N | A | -2.7012 | |
| 114 | G | A | -2.7174 | |
| 115 | K | A | -2.7479 | |
| 116 | L | A | -1.5628 | |
| 117 | I | A | 0.0000 | |
| 118 | A | A | 0.0000 | |
| 119 | Y | A | 0.0000 | |
| 120 | P | A | 0.0000 | |
| 121 | I | A | 0.0000 | |
| 122 | A | A | 0.0000 | |
| 123 | V | A | 0.0000 | |
| 124 | E | A | -0.1986 | |
| 125 | A | A | 0.0000 | |
| 126 | L | A | 0.0000 | |
| 127 | S | A | 0.0000 | |
| 128 | L | A | 0.0000 | |
| 129 | I | A | 0.0000 | |
| 130 | Y | A | -0.5065 | |
| 131 | N | A | 0.0000 | |
| 132 | K | A | -1.9978 | |
| 133 | D | A | -2.2880 | |
| 134 | L | A | -1.4209 | |
| 135 | L | A | 0.0000 | |
| 136 | P | A | -1.6506 | |
| 137 | N | A | -1.9218 | |
| 138 | P | A | -1.2502 | |
| 139 | P | A | 0.0000 | |
| 140 | K | A | -2.2725 | |
| 141 | T | A | -2.0448 | |
| 142 | W | A | 0.0000 | |
| 143 | E | A | -2.2213 | |
| 144 | E | A | -1.9594 | |
| 145 | I | A | 0.0000 | |
| 146 | P | A | -1.7386 | |
| 147 | A | A | -1.5445 | |
| 148 | L | A | -1.5550 | |
| 149 | D | A | 0.0000 | |
| 150 | K | A | -3.4640 | |
| 151 | E | A | -3.4484 | |
| 152 | L | A | 0.0000 | |
| 153 | K | A | -3.4104 | |
| 154 | A | A | -2.6610 | |
| 155 | K | A | -3.0697 | |
| 156 | G | A | -2.7347 | |
| 157 | K | A | -2.7845 | |
| 158 | S | A | -2.0904 | |
| 159 | A | A | 0.0000 | |
| 160 | L | A | 0.0000 | |
| 161 | M | A | -0.0776 | |
| 162 | F | A | 0.0000 | |
| 163 | N | A | 0.0000 | |
| 164 | L | A | 0.0000 | |
| 165 | Q | A | -0.5609 | |
| 166 | E | A | 0.0000 | |
| 167 | P | A | 0.0000 | |
| 168 | Y | A | 0.0000 | |
| 169 | F | A | 0.0000 | |
| 170 | T | A | 0.0000 | |
| 171 | W | A | 0.0000 | |
| 172 | P | A | 0.0000 | |
| 173 | L | A | 0.0000 | |
| 174 | I | A | 0.0000 | |
| 175 | A | A | 0.0000 | |
| 176 | A | A | 0.0000 | |
| 177 | D | A | -1.0611 | |
| 178 | G | A | -0.4935 | |
| 179 | G | A | 0.0000 | |
| 180 | Y | A | -0.2081 | |
| 181 | A | A | 0.0000 | |
| 182 | F | A | 0.0000 | |
| 183 | K | A | -1.8653 | |
| 184 | Y | A | -1.9092 | |
| 185 | E | A | -3.1019 | |
| 186 | N | A | -2.8806 | |
| 187 | G | A | 0.0000 | |
| 188 | K | A | -3.2435 | |
| 189 | Y | A | -2.0923 | |
| 190 | D | A | -2.1368 | |
| 191 | I | A | -1.4722 | |
| 192 | K | A | -2.3646 | |
| 193 | D | A | -1.6596 | |
| 194 | V | A | 0.0000 | |
| 195 | G | A | 0.0000 | |
| 196 | V | A | 0.0000 | |
| 197 | D | A | -1.7303 | |
| 198 | N | A | -1.0256 | |
| 199 | A | A | -0.5760 | |
| 200 | G | A | 0.0000 | |
| 201 | A | A | 0.0000 | |
| 202 | K | A | -1.0672 | |
| 203 | A | A | -0.6132 | |
| 204 | G | A | 0.0000 | |
| 205 | L | A | 0.0000 | |
| 206 | T | A | -0.4870 | |
| 207 | F | A | -0.4884 | |
| 208 | L | A | 0.0000 | |
| 209 | V | A | 0.0000 | |
| 210 | D | A | -2.1840 | |
| 211 | L | A | 0.0000 | |
| 212 | I | A | 0.0000 | |
| 213 | K | A | -3.4675 | |
| 214 | N | A | -3.3233 | |
| 215 | K | A | -3.5019 | |
| 216 | H | A | 0.0000 | |
| 217 | M | A | 0.0000 | |
| 218 | N | A | -2.6292 | |
| 219 | A | A | -1.9717 | |
| 220 | D | A | -2.0367 | |
| 221 | T | A | 0.0000 | |
| 222 | D | A | 0.0000 | |
| 223 | Y | A | 0.0000 | |
| 224 | S | A | 0.4569 | |
| 225 | I | A | 1.0368 | |
| 226 | A | A | 0.0000 | |
| 227 | E | A | -0.2045 | |
| 228 | A | A | -0.5239 | |
| 229 | A | A | 0.0000 | |
| 230 | F | A | 0.0000 | |
| 231 | N | A | -1.8897 | |
| 232 | K | A | -2.6054 | |
| 233 | G | A | -2.2655 | |
| 234 | E | A | -2.5922 | |
| 235 | T | A | 0.0000 | |
| 236 | A | A | 0.0000 | |
| 237 | M | A | 0.0000 | |
| 238 | T | A | 0.0000 | |
| 239 | I | A | 0.0000 | |
| 240 | N | A | 0.0000 | |
| 241 | G | A | 0.0000 | |
| 242 | P | A | -0.0998 | |
| 243 | W | A | -0.1038 | |
| 244 | A | A | 0.0000 | |
| 245 | W | A | 0.0000 | |
| 246 | S | A | -0.9779 | |
| 247 | N | A | -1.4979 | |
| 248 | I | A | 0.0000 | |
| 249 | D | A | -2.1708 | |
| 250 | T | A | -1.5258 | |
| 251 | S | A | -1.9469 | |
| 252 | K | A | -2.5565 | |
| 253 | V | A | -2.0412 | |
| 254 | N | A | -1.8315 | |
| 255 | Y | A | -1.1447 | |
| 256 | G | A | -0.7426 | |
| 257 | V | A | 0.0000 | |
| 258 | T | A | -0.3857 | |
| 259 | V | A | -0.4995 | |
| 260 | L | A | 0.0000 | |
| 261 | P | A | 0.0000 | |
| 262 | T | A | -1.5868 | |
| 263 | F | A | 0.0000 | |
| 264 | K | A | -2.3819 | |
| 265 | G | A | -1.9660 | |
| 266 | Q | A | -1.6345 | |
| 267 | P | A | -1.2197 | |
| 268 | S | A | 0.0000 | |
| 269 | K | A | -0.9452 | |
| 270 | P | A | 0.0000 | |
| 271 | F | A | 0.0000 | |
| 272 | V | A | 0.0000 | |
| 273 | G | A | 0.0000 | |
| 274 | V | A | 0.0000 | |
| 275 | L | A | 0.0766 | |
| 276 | S | A | 0.0000 | |
| 277 | A | A | 0.0000 | |
| 278 | G | A | 0.0000 | |
| 279 | I | A | 0.0000 | |
| 280 | N | A | 0.0000 | |
| 281 | A | A | -0.5354 | |
| 282 | A | A | -0.4139 | |
| 283 | S | A | 0.0000 | |
| 284 | P | A | -1.3404 | |
| 285 | N | A | 0.0000 | |
| 286 | K | A | -2.2150 | |
| 287 | E | A | -2.5700 | |
| 288 | L | A | -1.6659 | |
| 289 | A | A | 0.0000 | |
| 290 | K | A | -2.2116 | |
| 291 | E | A | -2.1209 | |
| 292 | F | A | 0.0000 | |
| 293 | L | A | 0.0000 | |
| 294 | E | A | 0.0000 | |
| 295 | N | A | -1.6076 | |
| 296 | Y | A | -1.2921 | |
| 297 | L | A | 0.0000 | |
| 298 | L | A | 0.0000 | |
| 299 | T | A | -1.8055 | |
| 300 | D | A | -2.6944 | |
| 301 | E | A | -2.7429 | |
| 302 | G | A | 0.0000 | |
| 303 | L | A | 0.0000 | |
| 304 | E | A | -2.6678 | |
| 305 | A | A | -2.5028 | |
| 306 | V | A | 0.0000 | |
| 307 | N | A | -2.0881 | |
| 308 | K | A | -2.7374 | |
| 309 | D | A | -2.4812 | |
| 310 | K | A | -2.1596 | |
| 311 | P | A | -1.3613 | |
| 312 | L | A | 0.0000 | |
| 313 | G | A | 0.0000 | |
| 314 | A | A | 0.0000 | |
| 315 | V | A | 0.0000 | |
| 316 | A | A | 0.0000 | |
| 317 | L | A | 0.0000 | |
| 318 | K | A | -2.0825 | |
| 319 | S | A | -1.9160 | |
| 320 | Y | A | 0.0000 | |
| 321 | E | A | 0.0000 | |
| 322 | E | A | -3.2561 | |
| 323 | E | A | -3.4368 | |
| 324 | L | A | -2.2443 | |
| 325 | A | A | -2.3516 | |
| 326 | K | A | -2.8840 | |
| 327 | D | A | -1.9623 | |
| 328 | P | A | -1.1507 | |
| 329 | R | A | -1.0420 | |
| 330 | I | A | 0.0000 | |
| 331 | A | A | -1.4052 | |
| 332 | A | A | 0.0000 | |
| 333 | T | A | 0.0000 | |
| 334 | M | A | 0.0000 | |
| 335 | E | A | -1.8637 | |
| 336 | N | A | 0.0000 | |
| 337 | A | A | 0.0000 | |
| 338 | Q | A | -2.1147 | |
| 339 | K | A | -2.0061 | |
| 340 | G | A | -1.3430 | |
| 341 | E | A | -0.7074 | |
| 342 | I | A | -0.3240 | |
| 343 | M | A | 0.0000 | |
| 344 | P | A | 0.0000 | |
| 345 | N | A | 0.0000 | |
| 346 | I | A | 0.0000 | |
| 347 | P | A | -0.8816 | |
| 348 | Q | A | -0.6984 | |
| 349 | M | A | 0.0000 | |
| 350 | S | A | -0.2645 | |
| 351 | A | A | 0.0000 | |
| 352 | F | A | 0.0000 | |
| 353 | W | A | 0.0000 | |
| 354 | Y | A | -0.0844 | |
| 355 | A | A | 0.0000 | |
| 356 | V | A | 0.0000 | |
| 357 | R | A | -0.1625 | |
| 358 | T | A | -0.1770 | |
| 359 | A | A | 0.0000 | |
| 360 | V | A | 0.0000 | |
| 361 | I | A | -0.4791 | |
| 362 | N | A | 0.0000 | |
| 363 | A | A | 0.0000 | |
| 364 | A | A | 0.0000 | |
| 365 | S | A | -1.5116 | |
| 366 | G | A | -1.6309 | |
| 367 | R | A | -2.5655 | |
| 368 | Q | A | -2.1113 | |
| 369 | T | A | -1.9290 | |
| 370 | V | A | -2.0079 | |
| 371 | D | A | -3.3557 | |
| 372 | E | A | -3.6917 | |
| 373 | A | A | 0.0000 | |
| 374 | L | A | 0.0000 | |
| 375 | K | A | -3.6755 | |
| 376 | D | A | -2.9961 | |
| 377 | A | A | 0.0000 | |
| 378 | Q | A | -2.1047 | |
| 379 | T | A | -1.7462 | |
| 380 | N | A | -2.1377 | |
| 381 | S | A | 0.0000 | |
| 382 | S | A | -1.7041 | |
| 383 | S | A | -1.8718 | |
| 384 | N | A | -2.4366 | |
| 385 | N | A | -2.6929 | |
| 386 | N | A | -2.9177 | |
| 387 | N | A | -3.5381 | |
| 388 | N | A | -3.2371 | |
| 389 | N | A | -2.8735 | |
| 390 | N | A | -2.7084 | |
| 391 | N | A | -1.9912 | |
| 392 | N | A | -1.4041 | |
| 393 | N | A | -0.8524 | |
| 394 | L | A | 0.0000 | |
| 395 | G | A | 0.0000 | |
| 396 | I | A | 0.0000 | |
| 397 | E | A | 0.0000 | |
| 398 | E | A | 0.0000 | |
| 399 | N | A | -0.0885 | |
| 400 | L | A | -0.0295 | |
| 401 | Y | A | 0.0000 | |
| 402 | F | A | -0.0385 | |
| 403 | Q | A | -0.7203 | |
| 404 | S | A | -0.3274 | |
| 405 | T | A | 0.0000 | |
| 406 | A | A | -0.6381 | |
| 407 | L | A | -0.6410 | |
| 408 | R | A | -1.5472 | |
| 409 | Q | A | -1.5795 | |
| 410 | G | A | -0.7576 | |
| 411 | V | A | 0.2880 | |
| 412 | P | A | 0.0000 | |
| 413 | Q | A | -1.0810 | |
| 414 | K | A | -1.6546 | |
| 415 | P | A | -1.1855 | |
| 416 | Y | A | 0.0000 | |
| 417 | T | A | -1.1977 | |
| 418 | F | A | 0.0000 | |
| 419 | L | A | -0.9310 | |
| 420 | D | A | -2.2482 | |
| 421 | E | A | -2.3018 | |
| 422 | K | A | -2.3882 | |
| 423 | A | A | -1.3529 | |
| 424 | R | A | -1.3172 | |
| 425 | G | A | -0.9815 | |
| 426 | R | A | -1.8027 | |
| 427 | F | A | 0.1022 | |
| 428 | G | A | 0.0000 | |
| 429 | V | A | 0.0000 | |
| 430 | I | A | -0.6832 | |
| 431 | R | A | 0.0000 | |
| 432 | L | A | -0.4499 | |
| 433 | A | A | 0.0000 | |
| 434 | K | A | -1.0730 | |
| 435 | E | A | -1.6326 | |
| 436 | N | A | -2.0833 | |
| 437 | A | A | -0.9888 | |
| 438 | T | A | -0.9453 | |
| 439 | G | A | -1.2385 | |
| 440 | K | A | -1.3427 | |
| 441 | L | A | -0.3066 | |
| 442 | F | A | -0.2094 | |
| 443 | M | A | -0.0187 | |
| 444 | A | A | 0.0000 | |
| 445 | K | A | 0.0000 | |
| 446 | I | A | 0.0000 | |
| 447 | V | A | 0.0000 | |
| 448 | P | A | -0.8077 | |
| 449 | Y | A | 0.0000 | |
| 450 | E | A | -2.3428 | |
| 451 | A | A | -2.3912 | |
| 452 | E | A | -3.2954 | |
| 453 | R | A | -3.5727 | |
| 454 | K | A | -2.9707 | |
| 455 | Q | A | -2.5903 | |
| 456 | S | A | -1.8435 | |
| 457 | V | A | -1.1711 | |
| 458 | L | A | -0.9387 | |
| 459 | Q | A | -0.9530 | |
| 460 | E | A | 0.0000 | |
| 461 | Y | A | 0.0000 | |
| 462 | E | A | -1.1385 | |
| 463 | I | A | 0.0000 | |
| 464 | L | A | 0.0000 | |
| 465 | K | A | -0.6150 | |
| 466 | A | A | -0.3714 | |
| 467 | L | A | 0.0000 | |
| 468 | H | A | 0.0000 | |
| 469 | H | A | 0.0000 | |
| 470 | E | A | -0.6175 | |
| 471 | R | A | -0.5692 | |
| 472 | I | A | 0.0000 | |
| 473 | M | A | 0.0000 | |
| 474 | A | A | -0.3586 | |
| 475 | L | A | 0.0000 | |
| 476 | H | A | -0.7553 | |
| 477 | E | A | -0.6570 | |
| 478 | A | A | 0.0000 | |
| 479 | Y | A | 0.0000 | |
| 480 | I | A | 0.0000 | |
| 481 | T | A | -0.8028 | |
| 482 | P | A | -1.2420 | |
| 483 | R | A | -1.7344 | |
| 484 | Y | A | -0.7744 | |
| 485 | L | A | 0.0000 | |
| 486 | V | A | 0.0000 | |
| 487 | L | A | 0.0000 | |
| 488 | I | A | 0.0000 | |
| 489 | C | A | 0.0000 | |
| 490 | E | A | -0.6774 | |
| 491 | N | A | -0.4494 | |
| 492 | C | A | -0.4167 | |
| 493 | A | A | -0.4310 | |
| 494 | G | A | -1.1097 | |
| 495 | K | A | -1.6281 | |
| 496 | E | A | -0.9400 | |
| 497 | I | A | 0.0000 | |
| 498 | L | A | 0.0000 | |
| 499 | Y | A | -0.7326 | |
| 500 | S | A | -1.1367 | |
| 501 | I | A | 0.0000 | |
| 502 | V | A | 0.0000 | |
| 503 | D | A | -2.8042 | |
| 504 | R | A | -2.7165 | |
| 505 | E | A | -3.4341 | |
| 506 | R | A | -2.9833 | |
| 507 | Y | A | 0.0000 | |
| 508 | S | A | 0.0000 | |
| 509 | E | A | 0.0000 | |
| 510 | D | A | 0.0000 | |
| 511 | D | A | -0.6228 | |
| 512 | V | A | 0.0000 | |
| 513 | V | A | 0.0000 | |
| 514 | S | A | -0.4705 | |
| 515 | Y | A | 0.0000 | |
| 516 | V | A | 0.0000 | |
| 517 | Y | A | -0.0453 | |
| 518 | Q | A | -0.3648 | |
| 519 | L | A | 0.0000 | |
| 520 | L | A | 0.0000 | |
| 521 | Q | A | -0.6823 | |
| 522 | G | A | 0.0000 | |
| 523 | L | A | 0.0000 | |
| 524 | E | A | -0.9714 | |
| 525 | Y | A | 0.0000 | |
| 526 | L | A | 0.0000 | |
| 527 | H | A | -0.4522 | |
| 528 | G | A | -0.3408 | |
| 529 | R | A | 0.0000 | |
| 530 | R | A | -0.4772 | |
| 531 | I | A | 0.0000 | |
| 532 | V | A | 0.0000 | |
| 533 | H | A | 0.0000 | |
| 534 | L | A | 0.0000 | |
| 535 | D | A | 0.0000 | |
| 536 | I | A | 0.0000 | |
| 537 | K | A | -0.2862 | |
| 538 | P | A | 0.0000 | |
| 539 | D | A | -0.5678 | |
| 540 | N | A | 0.0000 | |
| 541 | V | A | 0.0000 | |
| 542 | V | A | 0.0000 | |
| 543 | V | A | 0.0000 | |
| 544 | S | A | -0.9386 | |
| 545 | G | A | -0.9321 | |
| 546 | T | A | -0.6400 | |
| 547 | N | A | -1.0621 | |
| 548 | A | A | -0.5990 | |
| 549 | L | A | 0.0000 | |
| 550 | K | A | -0.5416 | |
| 551 | I | A | 0.0000 | |
| 552 | I | A | 0.0000 | |
| 553 | D | A | -0.5368 | |
| 554 | F | A | 0.0000 | |
| 555 | G | A | -0.4481 | |
| 556 | S | A | 0.0000 | |
| 557 | A | A | 0.0000 | |
| 558 | Q | A | -0.5098 | |
| 559 | T | A | -0.3398 | |
| 560 | Y | A | 0.0000 | |
| 561 | N | A | 0.0000 | |
| 562 | P | A | -0.9188 | |
| 563 | S | A | -1.4314 | |
| 564 | D | A | -2.3270 | |
| 565 | L | A | -1.3620 | |
| 566 | R | A | -2.1799 | |
| 567 | Q | A | -2.8995 | |
| 568 | L | A | -1.9390 | |
| 569 | G | A | -1.8823 | |
| 570 | R | A | -2.5671 | |
| 571 | R | A | -2.0418 | |
| 572 | V | A | -0.7568 | |
| 573 | G | A | -0.5617 | |
| 574 | T | A | -0.2138 | |
| 575 | L | A | 0.1935 | |
| 576 | E | A | 0.0000 | |
| 577 | Y | A | 0.0000 | |
| 578 | M | A | 0.0000 | |
| 579 | S | A | 0.0000 | |
| 580 | P | A | 0.0000 | |
| 581 | E | A | 0.0000 | |
| 582 | V | A | 0.0000 | |
| 583 | V | A | 0.0000 | |
| 584 | K | A | -2.4302 | |
| 585 | G | A | -2.6404 | |
| 586 | D | A | -2.5084 | |
| 587 | P | A | -2.0163 | |
| 588 | V | A | 0.0000 | |
| 589 | G | A | 0.0000 | |
| 590 | S | A | -0.1747 | |
| 591 | A | A | -0.5486 | |
| 592 | A | A | 0.0000 | |
| 593 | D | A | 0.0000 | |
| 594 | V | A | 0.0000 | |
| 595 | W | A | 0.0000 | |
| 596 | G | A | 0.0000 | |
| 597 | V | A | 0.0000 | |
| 598 | G | A | 0.0000 | |
| 599 | V | A | 0.0000 | |
| 600 | L | A | 0.0000 | |
| 601 | T | A | 0.0000 | |
| 602 | Y | A | 0.0000 | |
| 603 | I | A | 0.0000 | |
| 604 | M | A | 0.0000 | |
| 605 | L | A | 0.0000 | |
| 606 | S | A | 0.0000 | |
| 607 | G | A | 0.0000 | |
| 608 | R | A | -1.1838 | |
| 609 | S | A | -0.2622 | |
| 610 | P | A | 0.0000 | |
| 611 | F | A | 0.0000 | |
| 612 | F | A | -0.4737 | |
| 613 | E | A | -2.0693 | |
| 614 | K | A | -2.6336 | |
| 615 | D | A | -2.5308 | |
| 616 | P | A | -1.8365 | |
| 617 | A | A | -1.7992 | |
| 618 | E | A | -2.5328 | |
| 619 | T | A | 0.0000 | |
| 620 | E | A | -1.6579 | |
| 621 | N | A | -2.2460 | |
| 622 | R | A | -1.8579 | |
| 623 | I | A | 0.0000 | |
| 624 | L | A | -0.9386 | |
| 625 | A | A | -0.8037 | |
| 626 | G | A | -1.4021 | |
| 627 | R | A | -2.1535 | |
| 628 | F | A | -1.6773 | |
| 629 | D | A | -2.1761 | |
| 630 | F | A | -1.6895 | |
| 631 | D | A | -2.4508 | |
| 632 | K | A | -2.1787 | |
| 633 | L | A | 0.0000 | |
| 634 | Y | A | 0.0000 | |
| 635 | P | A | -0.8571 | |
| 636 | N | A | -0.6729 | |
| 637 | V | A | -0.3269 | |
| 638 | S | A | -1.0630 | |
| 639 | Q | A | -1.6106 | |
| 640 | S | A | -1.3606 | |
| 641 | A | A | 0.0000 | |
| 642 | A | A | -1.5751 | |
| 643 | D | A | -2.6192 | |
| 644 | F | A | 0.0000 | |
| 645 | I | A | 0.0000 | |
| 646 | R | A | -2.7240 | |
| 647 | K | A | -2.3953 | |
| 648 | V | A | 0.0000 | |
| 649 | L | A | 0.0000 | |
| 650 | T | A | -1.2491 | |
| 651 | V | A | -0.8509 | |
| 652 | H | A | -1.4425 | |
| 653 | P | A | -1.5593 | |
| 654 | E | A | -2.2262 | |
| 655 | S | A | -1.5505 | |
| 656 | R | A | 0.0000 | |
| 657 | P | A | 0.0000 | |
| 658 | T | A | -1.3816 | |
| 659 | V | A | 0.0000 | |
| 660 | K | A | -2.5084 | |
| 661 | D | A | -2.0055 | |
| 662 | C | A | 0.0000 | |
| 663 | F | A | 0.0000 | |
| 664 | A | A | -1.0995 | |
| 665 | N | A | -1.0802 | |
| 666 | T | A | -0.7841 | |
| 667 | W | A | 0.0000 | |
| 668 | L | A | 0.0000 | |
| 669 | Q | A | -1.8888 | |
| 670 | D | A | -3.3804 | |
| 671 | A | A | -3.2744 | |
| 672 | D | A | -4.4357 | |
| 673 | E | A | -4.6885 | |
| 674 | E | A | -4.2768 | |
| 675 | K | A | -4.6430 | |
| 676 | E | A | -4.8986 | |
| 677 | R | A | -4.2075 | |
| 678 | R | A | 0.0000 | |
| 679 | Q | A | -2.5788 | |
| 680 | T | A | -1.5849 | |
| 681 | L | A | -0.8943 | |
| 682 | T | A | -0.5985 | |
| 683 | F | A | 0.0000 | |
| 684 | T | A | -1.9377 | |
| 685 | T | A | 0.0000 | |
| 686 | N | A | -3.0470 | |
| 687 | R | A | -2.4891 | |
| 688 | L | A | 0.0000 | |
| 689 | K | A | -2.6512 | |
| 690 | E | A | -2.7023 | |
| 691 | F | A | 0.0000 | |
| 692 | L | A | 0.0000 | |
| 693 | V | A | -0.4259 | |
| 694 | E | A | -1.6805 | |
| 695 | H | A | -1.7228 | |
| 696 | Q | A | -2.2748 | |
| 697 | R | A | -3.0216 | |
| 698 | R | A | -2.3901 | |
| 699 | R | A | -2.7002 | |
| 700 | G | A | -2.7324 | |
| 701 | E | A | -3.0723 | |
| 702 | A | A | -2.0378 | |
| 703 | V | A | -1.6125 | |
| 704 | T | A | -1.7854 | |
| 705 | K | A | -2.6045 | |
| 706 | H | A | -1.6332 | |
| 707 | K | A | -1.8581 | |
| 708 | V | A | 0.0000 | |
| 709 | L | A | 0.4762 | |
| 710 | L | A | 0.0000 | |
| 711 | R | A | -1.3113 | |
| 712 | S | A | -0.9485 | |
| 713 | Y | A | -0.4510 | |
| 714 | Q | A | -1.6290 | |
| 715 | G | A | -1.3803 | |
| 716 | G | A | -1.3929 | |
| 717 | Q | A | -1.6877 |
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 | -0.9636 | 1.9078 | View | CSV | PDB |
| 4.5 | -1.0276 | 1.8463 | View | CSV | PDB |
| 5.0 | -1.1036 | 1.7752 | View | CSV | PDB |
| 5.5 | -1.1756 | 1.7011 | View | CSV | PDB |
| 6.0 | -1.2264 | 1.6284 | View | CSV | PDB |
| 6.5 | -1.2448 | 1.5603 | View | CSV | PDB |
| 7.0 | -1.2328 | 1.4973 | View | CSV | PDB |
| 7.5 | -1.2021 | 1.4382 | View | CSV | PDB |
| 8.0 | -1.1615 | 1.3829 | View | CSV | PDB |
| 8.5 | -1.1128 | 1.3347 | View | CSV | PDB |
| 9.0 | -1.055 | 1.2996 | 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