| Chain sequence(s) |
A: MKVTSSSAIVSALVGGLFASISGLAMADADLDKAVNTAGAWPIATGGYYSQHNSPLAQINKSNVKNVKAAWSFSTGVLNGHEGAPLVIGDMMYVHSAFPNNTYALNLNDPGKIVWQHKPKQDASTKAVMCCDVVDRGLAYGAGQIVKKQANGHLLALDAKTGKINWEVEVCDPKVGQTLTQAPFVAKDTVLMGCSGAELGVRGAVNAYDLKTGELKWRAFATGSDESIRLSKDFNKDNPHYGQFGLGLKTWEGDAWKIGGGTNWGWYAYDPKLNLFYYGSGNPAPWNETMRPGDNKWTMTIWGRDLDTGMAKWGYQKTPHDEWDFAGVNQMVLTDQPVNGKMTPLLSHIDRNGILYTLNRENGNLIVAEKVDPAVNVFKKVDLKTGTPVRDPEFATRMDHKGTNICPSAMGFHNQGVDSYDPESRTLYAGLNHICMDWEPFMLPYRAGQFFVGATLAMYPGPNGPTKKEMGQIRAFDLTTGKAKWTKWEKFAAWGGTLYTKGGLVWYATLDGYLKALDNKDGKELWNFKMPSGGIGSPMTYSFKGKQYIGSMYGVGGWPGVGLVFDLTDPSAGLGAVGAFKELQNHTQMGGGLMVFSL
input PDB |
| Selected Chain(s) | A |
| Distance of aggregation | 10 Å |
| FoldX usage | Yes |
| pH calculations | Yes |
| alphaCutter usage |
A: MKVTSSSAIVSALVGGLFASISGL AMADADLDKAVNTAGAWPIATGGYYSQHNSPLAQINKSNVKNVKAAWSFSTGVLNGHEGAPLVIGDMMYVHSAFPNNTYALNLNDPGKIVWQHKPKQDASTKAVMCCDVVDRGLAYGAGQIVKKQANGHLLALDAKTGKINWEVEVCDPKVGQTLTQAPFVAKDTVLMGCSGAELGVRGAVNAYDLKTGELKWRAFATGSDESIRLSKDFNKDNPHYGQFGLGLKTWEGDAWKIGGGTNWGWYAYDPKLNLFYYGSGNPAPWNETMRPGDNKWTMTIWGRDLDTGMAKWGYQKTPHDEWDFAGVNQMVLTDQPVNGKMTPLLSHIDRNGILYTLNRENGNLIVAEKVDPAVNVFKKVDLKTGTPVRDPEFATRMDHKGTNICPSAMGFHNQGVDSYDPESRTLYAGLNHICMDWEPFMLPYRAGQFFVGATLAMYPGPNGPTKKEMGQIRAFDLTTGKAKWTKWEKFAAWGGTLYTKGGLVWYATLDGYLKALDNKDGKELWNFKMPSGGIGSPMTYSFKGKQYIGSMYGVGGWPGVGLVFDLTDPSAGLGAVGAFKELQNHTQMGGGLMVFSL(Red indicates removed residues) |
| Dynamic mode | No |
| Automated mutations | No |
| Downloads | Download all the data |
| Simulation log |
[INFO] Logger: Verbosity set to: 2 - [INFO] (00:00:05)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:05)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with A chain(s) selected (00:00:05)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:05)
[INFO] PDB: Running AlphaCutter (00:00:06)
[INFO] PDB-Info: The input structure is globular. Max score is recommended for pH analysis. (00:00:43)
[INFO] FoldX: Starting FoldX energy minimization (00:00:43)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:10:44)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/deb571fb504298f/tmp/folded.pdb (00:10:44)
[INFO] Main: Simulation completed successfully. (00:19:14)
|
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 |
|---|---|---|---|---|
| 25 | A | A | 0.2589 | |
| 26 | M | A | 0.9689 | |
| 27 | A | A | 0.1492 | |
| 28 | D | A | 0.0000 | |
| 29 | A | A | -0.7996 | |
| 30 | D | A | -1.5978 | |
| 31 | L | A | 0.0000 | |
| 32 | D | A | -1.6355 | |
| 33 | K | A | -2.4226 | |
| 34 | A | A | 0.0000 | |
| 35 | V | A | -0.7728 | |
| 36 | N | A | -1.7636 | |
| 37 | T | A | -0.9826 | |
| 38 | A | A | -0.4162 | |
| 39 | G | A | -0.4187 | |
| 40 | A | A | -0.4467 | |
| 41 | W | A | 0.0000 | |
| 42 | P | A | 0.0000 | |
| 43 | I | A | 0.0000 | |
| 44 | A | A | -0.0393 | |
| 45 | T | A | 0.0000 | |
| 46 | G | A | -0.1492 | |
| 47 | G | A | -0.1146 | |
| 48 | Y | A | 0.1730 | |
| 49 | Y | A | 0.1669 | |
| 50 | S | A | 0.0000 | |
| 51 | Q | A | -0.2230 | |
| 52 | H | A | 0.0000 | |
| 53 | N | A | -0.6205 | |
| 54 | S | A | 0.0000 | |
| 55 | P | A | -0.7391 | |
| 56 | L | A | -0.6070 | |
| 57 | A | A | -0.9229 | |
| 58 | Q | A | -1.0717 | |
| 59 | I | A | 0.0000 | |
| 60 | N | A | -1.4167 | |
| 61 | K | A | -1.2883 | |
| 62 | S | A | -1.1898 | |
| 63 | N | A | -1.5191 | |
| 64 | V | A | 0.0000 | |
| 65 | K | A | -2.7667 | |
| 66 | N | A | -2.3940 | |
| 67 | V | A | 0.0000 | |
| 68 | K | A | -1.9993 | |
| 69 | A | A | -0.5599 | |
| 70 | A | A | -0.2156 | |
| 71 | W | A | -0.1211 | |
| 72 | S | A | -0.1191 | |
| 73 | F | A | -0.1096 | |
| 74 | S | A | -0.1733 | |
| 75 | T | A | 0.0000 | |
| 76 | G | A | -0.1864 | |
| 77 | V | A | 0.4788 | |
| 78 | L | A | 0.9397 | |
| 79 | N | A | 0.5424 | |
| 80 | G | A | 0.0000 | |
| 81 | H | A | 0.0000 | |
| 82 | E | A | 0.0000 | |
| 83 | G | A | 0.0000 | |
| 84 | A | A | 0.0000 | |
| 85 | P | A | 0.0000 | |
| 86 | L | A | 0.0000 | |
| 87 | V | A | 0.0000 | |
| 88 | I | A | -0.2761 | |
| 89 | G | A | -0.9399 | |
| 90 | D | A | -2.0460 | |
| 91 | M | A | 0.0000 | |
| 92 | M | A | 0.0000 | |
| 93 | Y | A | 0.0000 | |
| 94 | V | A | 0.0000 | |
| 95 | H | A | 0.0000 | |
| 96 | S | A | 0.0000 | |
| 97 | A | A | 0.0000 | |
| 98 | F | A | -0.0160 | |
| 99 | P | A | -0.9875 | |
| 100 | N | A | 0.0000 | |
| 101 | N | A | 0.0000 | |
| 102 | T | A | 0.0000 | |
| 103 | Y | A | 0.0000 | |
| 104 | A | A | 0.0000 | |
| 105 | L | A | 0.0000 | |
| 106 | N | A | -1.8455 | |
| 107 | L | A | 0.0000 | |
| 108 | N | A | -2.8196 | |
| 109 | D | A | -2.9696 | |
| 110 | P | A | -1.7427 | |
| 111 | G | A | -1.7462 | |
| 112 | K | A | -1.9852 | |
| 113 | I | A | -0.2010 | |
| 114 | V | A | 0.0908 | |
| 115 | W | A | 0.0000 | |
| 116 | Q | A | -1.1387 | |
| 117 | H | A | -1.6207 | |
| 118 | K | A | -2.3721 | |
| 119 | P | A | -2.0437 | |
| 120 | K | A | -2.5985 | |
| 121 | Q | A | -2.1918 | |
| 122 | D | A | -2.4347 | |
| 123 | A | A | -1.3707 | |
| 124 | S | A | -1.2264 | |
| 125 | T | A | 0.0000 | |
| 126 | K | A | -1.0014 | |
| 127 | A | A | -0.3272 | |
| 128 | V | A | -0.3239 | |
| 129 | M | A | 0.0000 | |
| 130 | C | A | 0.4164 | |
| 131 | C | A | 0.2156 | |
| 132 | D | A | 0.0000 | |
| 133 | V | A | 0.0000 | |
| 134 | V | A | 0.0000 | |
| 135 | D | A | 0.0000 | |
| 136 | R | A | 0.0000 | |
| 137 | G | A | 0.0000 | |
| 138 | L | A | 0.0000 | |
| 139 | A | A | 0.0000 | |
| 140 | Y | A | 0.0000 | |
| 141 | G | A | 0.0000 | |
| 142 | A | A | -0.7928 | |
| 143 | G | A | -0.8344 | |
| 144 | Q | A | 0.0000 | |
| 145 | I | A | 0.0000 | |
| 146 | V | A | 0.0000 | |
| 147 | K | A | 0.0000 | |
| 148 | K | A | 0.0000 | |
| 149 | Q | A | 0.0000 | |
| 150 | A | A | 0.0000 | |
| 151 | N | A | -1.5269 | |
| 152 | G | A | 0.0000 | |
| 153 | H | A | -1.3150 | |
| 154 | L | A | 0.0000 | |
| 155 | L | A | 0.0000 | |
| 156 | A | A | 0.0000 | |
| 157 | L | A | 0.0000 | |
| 158 | D | A | -1.4710 | |
| 159 | A | A | 0.0000 | |
| 160 | K | A | -2.0412 | |
| 161 | T | A | -1.3775 | |
| 162 | G | A | -1.3954 | |
| 163 | K | A | -1.8777 | |
| 164 | I | A | -0.4105 | |
| 165 | N | A | -1.2974 | |
| 166 | W | A | 0.0000 | |
| 167 | E | A | -1.7614 | |
| 168 | V | A | -1.4527 | |
| 169 | E | A | -2.0621 | |
| 170 | V | A | 0.0000 | |
| 171 | C | A | 0.0000 | |
| 172 | D | A | -1.5072 | |
| 173 | P | A | -1.3638 | |
| 174 | K | A | -1.8197 | |
| 175 | V | A | -0.8138 | |
| 176 | G | A | 0.0000 | |
| 177 | Q | A | -0.6587 | |
| 178 | T | A | 0.0000 | |
| 179 | L | A | 0.0000 | |
| 180 | T | A | 0.0000 | |
| 181 | Q | A | 0.0000 | |
| 182 | A | A | 0.0000 | |
| 183 | P | A | 0.0000 | |
| 184 | F | A | 0.0000 | |
| 185 | V | A | 0.0000 | |
| 186 | A | A | 0.0000 | |
| 187 | K | A | -0.4636 | |
| 188 | D | A | -0.7615 | |
| 189 | T | A | 0.0000 | |
| 190 | V | A | 0.0000 | |
| 191 | L | A | 0.0000 | |
| 192 | M | A | 0.0000 | |
| 193 | G | A | 0.0000 | |
| 194 | C | A | 0.0000 | |
| 195 | S | A | -0.0340 | |
| 196 | G | A | 0.0000 | |
| 197 | A | A | 0.0000 | |
| 198 | E | A | 0.0000 | |
| 199 | L | A | 0.0000 | |
| 200 | G | A | 0.0000 | |
| 201 | V | A | 0.0000 | |
| 202 | R | A | -0.4488 | |
| 203 | G | A | 0.0000 | |
| 204 | A | A | 0.0000 | |
| 205 | V | A | 0.0000 | |
| 206 | N | A | 0.0000 | |
| 207 | A | A | 0.0000 | |
| 208 | Y | A | 0.0000 | |
| 209 | D | A | -1.4239 | |
| 210 | L | A | 0.0000 | |
| 211 | K | A | -2.2757 | |
| 212 | T | A | -1.6877 | |
| 213 | G | A | 0.0000 | |
| 214 | E | A | -1.9063 | |
| 215 | L | A | -0.4125 | |
| 216 | K | A | -1.0978 | |
| 217 | W | A | 0.0000 | |
| 218 | R | A | -0.7174 | |
| 219 | A | A | 0.0000 | |
| 220 | F | A | -0.2526 | |
| 221 | A | A | 0.0000 | |
| 222 | T | A | 0.0000 | |
| 223 | G | A | 0.0000 | |
| 224 | S | A | -0.5626 | |
| 225 | D | A | -0.7913 | |
| 226 | E | A | -1.9173 | |
| 227 | S | A | -1.2169 | |
| 228 | I | A | 0.0000 | |
| 229 | R | A | -1.4525 | |
| 230 | L | A | 0.0000 | |
| 231 | S | A | -1.8077 | |
| 232 | K | A | -2.4896 | |
| 233 | D | A | -3.1326 | |
| 234 | F | A | 0.0000 | |
| 235 | N | A | 0.0000 | |
| 236 | K | A | -3.6688 | |
| 237 | D | A | -3.3466 | |
| 238 | N | A | -2.1740 | |
| 239 | P | A | -1.8395 | |
| 240 | H | A | -1.8604 | |
| 241 | Y | A | -0.9973 | |
| 242 | G | A | -0.4195 | |
| 243 | Q | A | -0.4535 | |
| 244 | F | A | 1.0483 | |
| 245 | G | A | 0.1859 | |
| 246 | L | A | 0.0296 | |
| 247 | G | A | 0.0000 | |
| 248 | L | A | -0.6998 | |
| 249 | K | A | -1.6181 | |
| 250 | T | A | 0.0000 | |
| 251 | W | A | 0.0000 | |
| 252 | E | A | -2.7067 | |
| 253 | G | A | -2.4602 | |
| 254 | D | A | -2.6298 | |
| 255 | A | A | -1.6111 | |
| 256 | W | A | -1.4106 | |
| 257 | K | A | -1.6690 | |
| 258 | I | A | -0.5160 | |
| 259 | G | A | 0.0000 | |
| 260 | G | A | 0.0000 | |
| 261 | G | A | 0.0000 | |
| 262 | T | A | 0.0000 | |
| 263 | N | A | 0.0000 | |
| 264 | W | A | 0.1362 | |
| 265 | G | A | 0.0000 | |
| 266 | W | A | 0.0000 | |
| 267 | Y | A | 0.0000 | |
| 268 | A | A | 0.0000 | |
| 269 | Y | A | 0.0000 | |
| 270 | D | A | 0.0000 | |
| 271 | P | A | -0.9189 | |
| 272 | K | A | -1.6185 | |
| 273 | L | A | -0.6849 | |
| 274 | N | A | -0.8901 | |
| 275 | L | A | 0.0000 | |
| 276 | F | A | 0.0000 | |
| 277 | Y | A | 0.0000 | |
| 278 | Y | A | 0.0000 | |
| 279 | G | A | 0.0000 | |
| 280 | S | A | 0.0000 | |
| 281 | G | A | 0.0000 | |
| 282 | N | A | 0.0000 | |
| 283 | P | A | 0.0000 | |
| 284 | A | A | 0.0000 | |
| 285 | P | A | 0.0000 | |
| 286 | W | A | 0.0000 | |
| 287 | N | A | 0.0000 | |
| 288 | E | A | 0.0000 | |
| 289 | T | A | -0.1059 | |
| 290 | M | A | 0.1878 | |
| 291 | R | A | 0.0000 | |
| 292 | P | A | -0.8193 | |
| 293 | G | A | -1.2463 | |
| 294 | D | A | -1.2038 | |
| 295 | N | A | 0.0000 | |
| 296 | K | A | 0.0000 | |
| 297 | W | A | 0.0000 | |
| 298 | T | A | 0.0000 | |
| 299 | M | A | 0.0000 | |
| 300 | T | A | 0.0000 | |
| 301 | I | A | 0.0000 | |
| 302 | W | A | 0.0000 | |
| 303 | G | A | 0.0000 | |
| 304 | R | A | 0.0000 | |
| 305 | D | A | -0.7478 | |
| 306 | L | A | 0.0000 | |
| 307 | D | A | -1.3852 | |
| 308 | T | A | -0.8671 | |
| 309 | G | A | 0.0000 | |
| 310 | M | A | -1.0106 | |
| 311 | A | A | 0.0000 | |
| 312 | K | A | -1.8678 | |
| 313 | W | A | 0.0000 | |
| 314 | G | A | 0.0000 | |
| 315 | Y | A | 0.0000 | |
| 316 | Q | A | 0.0000 | |
| 317 | K | A | 0.0000 | |
| 318 | T | A | 0.0000 | |
| 319 | P | A | -0.4716 | |
| 320 | H | A | -0.6174 | |
| 321 | D | A | 0.0000 | |
| 322 | E | A | 0.0000 | |
| 323 | W | A | 0.0000 | |
| 324 | D | A | 0.0000 | |
| 325 | F | A | 0.0000 | |
| 326 | A | A | 0.0000 | |
| 327 | G | A | 0.0000 | |
| 328 | V | A | 0.0000 | |
| 329 | N | A | 0.0000 | |
| 330 | Q | A | 0.0000 | |
| 331 | M | A | 0.0000 | |
| 332 | V | A | 0.0000 | |
| 333 | L | A | 0.0000 | |
| 334 | T | A | 0.0000 | |
| 335 | D | A | -0.6033 | |
| 336 | Q | A | 0.0000 | |
| 337 | P | A | -1.0246 | |
| 338 | V | A | -1.1013 | |
| 339 | N | A | -1.8633 | |
| 340 | G | A | -1.7236 | |
| 341 | K | A | -1.9432 | |
| 342 | M | A | -0.5320 | |
| 343 | T | A | -0.6592 | |
| 344 | P | A | -0.5290 | |
| 345 | L | A | 0.0000 | |
| 346 | L | A | 0.0000 | |
| 347 | S | A | 0.0000 | |
| 348 | H | A | 0.0000 | |
| 349 | I | A | 0.0000 | |
| 350 | D | A | 0.0000 | |
| 351 | R | A | 0.0000 | |
| 352 | N | A | 0.0000 | |
| 353 | G | A | 0.0000 | |
| 354 | I | A | 0.0000 | |
| 355 | L | A | 0.0000 | |
| 356 | Y | A | 0.0000 | |
| 357 | T | A | 0.0000 | |
| 358 | L | A | 0.0000 | |
| 359 | N | A | -0.5483 | |
| 360 | R | A | 0.0000 | |
| 361 | E | A | -1.1154 | |
| 362 | N | A | -1.6321 | |
| 363 | G | A | 0.0000 | |
| 364 | N | A | -0.8116 | |
| 365 | L | A | 0.0188 | |
| 366 | I | A | 0.4507 | |
| 367 | V | A | 0.0000 | |
| 368 | A | A | -0.6539 | |
| 369 | E | A | -1.9537 | |
| 370 | K | A | -1.7233 | |
| 371 | V | A | 0.0000 | |
| 372 | D | A | 0.0000 | |
| 373 | P | A | -0.6293 | |
| 374 | A | A | -0.5468 | |
| 375 | V | A | 0.0000 | |
| 376 | N | A | -1.4792 | |
| 377 | V | A | 0.0000 | |
| 378 | F | A | 0.0000 | |
| 379 | K | A | -2.6481 | |
| 380 | K | A | -2.6887 | |
| 381 | V | A | 0.0000 | |
| 382 | D | A | -0.9451 | |
| 383 | L | A | 0.0137 | |
| 384 | K | A | -1.3850 | |
| 385 | T | A | -0.7581 | |
| 386 | G | A | 0.0000 | |
| 387 | T | A | -0.4308 | |
| 388 | P | A | 0.0000 | |
| 389 | V | A | -0.7258 | |
| 390 | R | A | -1.2759 | |
| 391 | D | A | -1.6258 | |
| 392 | P | A | -1.3870 | |
| 393 | E | A | -2.1334 | |
| 394 | F | A | -1.4851 | |
| 395 | A | A | -1.3029 | |
| 396 | T | A | 0.0000 | |
| 397 | R | A | -2.5352 | |
| 398 | M | A | -1.7641 | |
| 399 | D | A | -2.8467 | |
| 400 | H | A | -3.0751 | |
| 401 | K | A | -2.8918 | |
| 402 | G | A | 0.0000 | |
| 403 | T | A | -1.5277 | |
| 404 | N | A | -1.5248 | |
| 405 | I | A | 0.0000 | |
| 406 | C | A | 0.0000 | |
| 407 | P | A | 0.0000 | |
| 408 | S | A | 0.0000 | |
| 409 | A | A | 0.0000 | |
| 410 | M | A | 0.0000 | |
| 411 | G | A | 0.0000 | |
| 412 | F | A | 0.0000 | |
| 413 | H | A | 0.0000 | |
| 414 | N | A | 0.0000 | |
| 415 | Q | A | 0.0000 | |
| 416 | G | A | 0.0000 | |
| 417 | V | A | 0.0000 | |
| 418 | D | A | 0.0000 | |
| 419 | S | A | 0.0000 | |
| 420 | Y | A | 0.0000 | |
| 421 | D | A | 0.0000 | |
| 422 | P | A | -1.5125 | |
| 423 | E | A | -2.2379 | |
| 424 | S | A | -1.4916 | |
| 425 | R | A | -1.2989 | |
| 426 | T | A | 0.0000 | |
| 427 | L | A | 0.0000 | |
| 428 | Y | A | 0.0000 | |
| 429 | A | A | 0.0000 | |
| 430 | G | A | 0.0000 | |
| 431 | L | A | 0.0000 | |
| 432 | N | A | 0.0000 | |
| 433 | H | A | 0.0000 | |
| 434 | I | A | 0.0000 | |
| 435 | C | A | 0.0000 | |
| 436 | M | A | 0.0000 | |
| 437 | D | A | -1.0130 | |
| 438 | W | A | 0.0000 | |
| 439 | E | A | -2.1368 | |
| 440 | P | A | 0.0000 | |
| 441 | F | A | 0.9704 | |
| 442 | M | A | 1.7419 | |
| 443 | L | A | 0.8965 | |
| 444 | P | A | -0.2500 | |
| 445 | Y | A | -0.6450 | |
| 446 | R | A | -1.8404 | |
| 447 | A | A | -1.0814 | |
| 448 | G | A | -1.2276 | |
| 449 | Q | A | -1.3969 | |
| 450 | F | A | 0.1039 | |
| 451 | F | A | 0.0000 | |
| 452 | V | A | 0.0000 | |
| 453 | G | A | 0.0000 | |
| 454 | A | A | 0.0000 | |
| 455 | T | A | -0.2858 | |
| 456 | L | A | 0.0000 | |
| 457 | A | A | -0.2825 | |
| 458 | M | A | 0.0000 | |
| 459 | Y | A | -0.3045 | |
| 460 | P | A | -1.0151 | |
| 461 | G | A | 0.0000 | |
| 462 | P | A | -1.5190 | |
| 463 | N | A | -1.5039 | |
| 464 | G | A | 0.0000 | |
| 465 | P | A | -1.2463 | |
| 466 | T | A | -1.7208 | |
| 467 | K | A | -2.8178 | |
| 468 | K | A | -2.7489 | |
| 469 | E | A | -1.8848 | |
| 470 | M | A | 0.0000 | |
| 471 | G | A | 0.0000 | |
| 472 | Q | A | 0.0000 | |
| 473 | I | A | 0.0000 | |
| 474 | R | A | -0.6775 | |
| 475 | A | A | 0.0000 | |
| 476 | F | A | 0.0000 | |
| 477 | D | A | -1.3113 | |
| 478 | L | A | 0.0000 | |
| 479 | T | A | -0.5587 | |
| 480 | T | A | -0.8490 | |
| 481 | G | A | 0.0000 | |
| 482 | K | A | -2.3868 | |
| 483 | A | A | -1.6154 | |
| 484 | K | A | -2.3290 | |
| 485 | W | A | -1.7800 | |
| 486 | T | A | -0.8921 | |
| 487 | K | A | -0.8299 | |
| 488 | W | A | -0.3105 | |
| 489 | E | A | -0.7794 | |
| 490 | K | A | -1.4428 | |
| 491 | F | A | 0.0000 | |
| 492 | A | A | 0.0000 | |
| 493 | A | A | 0.0000 | |
| 494 | W | A | 0.0000 | |
| 495 | G | A | 0.0000 | |
| 496 | G | A | 0.0000 | |
| 497 | T | A | 0.0000 | |
| 498 | L | A | 0.0000 | |
| 499 | Y | A | 0.0000 | |
| 500 | T | A | 0.0000 | |
| 501 | K | A | -1.7755 | |
| 502 | G | A | -1.2115 | |
| 503 | G | A | 0.0000 | |
| 504 | L | A | 0.0000 | |
| 505 | V | A | 0.0000 | |
| 506 | W | A | 0.0000 | |
| 507 | Y | A | 0.0000 | |
| 508 | A | A | 0.0000 | |
| 509 | T | A | 0.0000 | |
| 510 | L | A | 0.0000 | |
| 511 | D | A | -1.2974 | |
| 512 | G | A | 0.0000 | |
| 513 | Y | A | -0.1060 | |
| 514 | L | A | 0.0000 | |
| 515 | K | A | -0.4399 | |
| 516 | A | A | 0.0000 | |
| 517 | L | A | 0.0000 | |
| 518 | D | A | -2.0896 | |
| 519 | N | A | 0.0000 | |
| 520 | K | A | -3.0899 | |
| 521 | D | A | -3.5116 | |
| 522 | G | A | 0.0000 | |
| 523 | K | A | -2.8113 | |
| 524 | E | A | -1.6876 | |
| 525 | L | A | -1.2683 | |
| 526 | W | A | 0.0000 | |
| 527 | N | A | -1.1527 | |
| 528 | F | A | -0.4438 | |
| 529 | K | A | -0.8250 | |
| 530 | M | A | 0.0000 | |
| 531 | P | A | -0.5536 | |
| 532 | S | A | 0.0000 | |
| 533 | G | A | 0.0000 | |
| 534 | G | A | 0.0000 | |
| 535 | I | A | 0.0000 | |
| 536 | G | A | 0.0000 | |
| 537 | S | A | 0.0000 | |
| 538 | P | A | 0.0000 | |
| 539 | M | A | 0.0000 | |
| 540 | T | A | 0.0000 | |
| 541 | Y | A | 0.0000 | |
| 542 | S | A | -0.8702 | |
| 543 | F | A | -1.4316 | |
| 544 | K | A | -2.3271 | |
| 545 | G | A | -1.6086 | |
| 546 | K | A | -1.2683 | |
| 547 | Q | A | 0.0000 | |
| 548 | Y | A | 0.0674 | |
| 549 | I | A | 0.0000 | |
| 550 | G | A | 0.0000 | |
| 551 | S | A | 0.0000 | |
| 552 | M | A | 0.0000 | |
| 553 | Y | A | 0.0000 | |
| 554 | G | A | 0.0000 | |
| 555 | V | A | 0.0000 | |
| 556 | G | A | 0.0000 | |
| 557 | G | A | 0.0000 | |
| 558 | W | A | 0.0000 | |
| 559 | P | A | 0.0000 | |
| 560 | G | A | 0.0000 | |
| 561 | V | A | 0.0000 | |
| 562 | G | A | -0.8834 | |
| 563 | L | A | -0.9487 | |
| 564 | V | A | 0.2539 | |
| 565 | F | A | 0.5719 | |
| 566 | D | A | -1.1801 | |
| 567 | L | A | -0.6941 | |
| 568 | T | A | -1.3162 | |
| 569 | D | A | -2.2409 | |
| 570 | P | A | -1.4000 | |
| 571 | S | A | -0.7222 | |
| 572 | A | A | -0.6032 | |
| 573 | G | A | -0.0233 | |
| 574 | L | A | 0.1944 | |
| 575 | G | A | 0.0000 | |
| 576 | A | A | 0.0000 | |
| 577 | V | A | 0.0000 | |
| 578 | G | A | -1.1571 | |
| 579 | A | A | -0.7936 | |
| 580 | F | A | 0.0000 | |
| 581 | K | A | -2.9146 | |
| 582 | E | A | -2.9506 | |
| 583 | L | A | 0.0000 | |
| 584 | Q | A | -3.2338 | |
| 585 | N | A | -3.0512 | |
| 586 | H | A | -2.3058 | |
| 587 | T | A | 0.0000 | |
| 588 | Q | A | -1.6584 | |
| 589 | M | A | -0.1510 | |
| 590 | G | A | -0.0012 | |
| 591 | G | A | 0.2176 | |
| 592 | G | A | 0.0000 | |
| 593 | L | A | 0.0000 | |
| 594 | M | A | 0.0000 | |
| 595 | V | A | 0.0000 | |
| 596 | F | A | 0.0000 | |
| 597 | S | A | 0.0000 | |
| 598 | L | A | -0.4099 |
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 | -0.4616 | 3.389 | View | CSV | PDB |
| 4.5 | -0.4979 | 3.3418 | View | CSV | PDB |
| 5.0 | -0.5389 | 3.2878 | View | CSV | PDB |
| 5.5 | -0.5749 | 3.2432 | View | CSV | PDB |
| 6.0 | -0.5937 | 3.2286 | View | CSV | PDB |
| 6.5 | -0.5866 | 3.2589 | View | CSV | PDB |
| 7.0 | -0.5568 | 3.3286 | View | CSV | PDB |
| 7.5 | -0.5135 | 3.4197 | View | CSV | PDB |
| 8.0 | -0.4631 | 3.5199 | View | CSV | PDB |
| 8.5 | -0.4067 | 3.6242 | View | CSV | PDB |
| 9.0 | -0.3436 | 3.7319 | 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