| Chain sequence(s) |
A: MSPILGYWKIKGLVQPTRLLLEYLEEKYEEHLYERDEGDKWRNKKFELGLEFPNLPYYIDGDVKLTQSMAIIRYIADKHNMLGGCPKERAEISMLEGAVLDIRYGVSRIAYSKDFETLKVDFLSKLPEMLKMFEDRLCHKTYLNGDHVTHPDFMLYDALDVVLYMDPMCLDAFPKLVCFKKRIEAIPQIDKYLKSSKYIAWPLQGWQATFGGGDHPPKSDLVPRGSPMGGSGQVVQFKLSDIGEGIREVTVKEWYVKEGDTVSQFDSICEVQSDKASVTITSRYDGVIKKLYYNLDDIAYVGKPLVDIETEALKDSEEDVVETPAVSHDEHTHQEIKGRKTLATPAVRRGSGNYTLDSSAAPTPQAAPAPTPAATASPPTPSAQAPGSSYPPHMQVLLPALSPTMTMGTVQRWEKKVGEKLSEGDLLAEIETDKATIGFEVQEEGYLAKILVPEGTRDVPLGTPLCIIVEKEADISAFADYRPTEVTDLKGSGDDLVTVKTPAFAESVTEGDVRWEKAVGDTVAEDEVVCEIETDKTSVQVPSPANGVIEALLVPDGGKVEGGTPLFTLRKTGAGSGHHHHHH
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. (00:00:02)
[INFO] FoldX: Starting FoldX energy minimization (00:00:02)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:08:28)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/42c9883592e3c54/tmp/folded.pdb (00:08:28)
[INFO] Main: Simulation completed successfully. (00:11:16)
|
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 | M | A | 0.5319 | |
| 2 | S | A | -0.5676 | |
| 3 | P | A | 0.0000 | |
| 4 | I | A | -0.8134 | |
| 5 | L | A | 0.0000 | |
| 6 | G | A | 0.0000 | |
| 7 | Y | A | 0.0000 | |
| 8 | W | A | -0.7506 | |
| 9 | K | A | -1.2705 | |
| 10 | I | A | 0.0000 | |
| 11 | K | A | 0.0000 | |
| 12 | G | A | 0.0000 | |
| 13 | L | A | 0.3665 | |
| 14 | V | A | 0.0000 | |
| 15 | Q | A | 0.0000 | |
| 16 | P | A | 0.0289 | |
| 17 | T | A | 0.0000 | |
| 18 | R | A | 0.0000 | |
| 19 | L | A | 0.0000 | |
| 20 | L | A | 0.0000 | |
| 21 | L | A | 0.0000 | |
| 22 | E | A | -1.5047 | |
| 23 | Y | A | -0.8318 | |
| 24 | L | A | -1.0726 | |
| 25 | E | A | -2.4050 | |
| 26 | E | A | -2.2422 | |
| 27 | K | A | -2.5687 | |
| 28 | Y | A | 0.0000 | |
| 29 | E | A | -2.0298 | |
| 30 | E | A | -1.2138 | |
| 31 | H | A | -0.8017 | |
| 32 | L | A | -0.7819 | |
| 33 | Y | A | 0.0000 | |
| 34 | E | A | -3.0247 | |
| 35 | R | A | -3.8616 | |
| 36 | D | A | -3.7534 | |
| 37 | E | A | -3.4681 | |
| 38 | G | A | -3.3242 | |
| 39 | D | A | -4.0790 | |
| 40 | K | A | -3.9507 | |
| 41 | W | A | 0.0000 | |
| 42 | R | A | -4.0130 | |
| 43 | N | A | -3.5740 | |
| 44 | K | A | -2.9901 | |
| 45 | K | A | -1.9601 | |
| 46 | F | A | -0.2609 | |
| 47 | E | A | -1.8561 | |
| 48 | L | A | -1.1931 | |
| 49 | G | A | -1.1421 | |
| 50 | L | A | 0.0000 | |
| 51 | E | A | -0.9795 | |
| 52 | F | A | 0.6458 | |
| 53 | P | A | -0.6105 | |
| 54 | N | A | -1.1944 | |
| 55 | L | A | -0.4290 | |
| 56 | P | A | 0.0000 | |
| 57 | Y | A | 0.0000 | |
| 58 | Y | A | 0.0000 | |
| 59 | I | A | 0.0000 | |
| 60 | D | A | -0.7668 | |
| 61 | G | A | -1.2407 | |
| 62 | D | A | -2.1088 | |
| 63 | V | A | -0.9667 | |
| 64 | K | A | -1.1796 | |
| 65 | L | A | -0.5813 | |
| 66 | T | A | -0.7149 | |
| 67 | Q | A | -0.9987 | |
| 68 | S | A | -0.6000 | |
| 69 | M | A | -0.3275 | |
| 70 | A | A | -0.4531 | |
| 71 | I | A | 0.0000 | |
| 72 | I | A | 0.0000 | |
| 73 | R | A | -1.4299 | |
| 74 | Y | A | -1.2159 | |
| 75 | I | A | 0.0000 | |
| 76 | A | A | 0.0000 | |
| 77 | D | A | -2.9579 | |
| 78 | K | A | -2.9091 | |
| 79 | H | A | -2.0701 | |
| 80 | N | A | -2.0065 | |
| 81 | M | A | 0.0000 | |
| 82 | L | A | -1.3566 | |
| 83 | G | A | -1.3695 | |
| 84 | G | A | -1.3207 | |
| 85 | C | A | -1.4882 | |
| 86 | P | A | -1.8560 | |
| 87 | K | A | -2.6323 | |
| 88 | E | A | -2.2253 | |
| 89 | R | A | -1.8919 | |
| 90 | A | A | -1.5024 | |
| 91 | E | A | -1.7535 | |
| 92 | I | A | 0.0000 | |
| 93 | S | A | -0.6715 | |
| 94 | M | A | 0.0227 | |
| 95 | L | A | 0.0000 | |
| 96 | E | A | 0.0000 | |
| 97 | G | A | -0.4217 | |
| 98 | A | A | -0.3916 | |
| 99 | V | A | 0.0000 | |
| 100 | L | A | -0.4308 | |
| 101 | D | A | -1.4992 | |
| 102 | I | A | 0.0000 | |
| 103 | R | A | 0.0000 | |
| 104 | Y | A | -0.2717 | |
| 105 | G | A | -0.9994 | |
| 106 | V | A | 0.0000 | |
| 107 | S | A | -0.5858 | |
| 108 | R | A | -1.4350 | |
| 109 | I | A | 0.0000 | |
| 110 | A | A | 0.0000 | |
| 111 | Y | A | -0.4797 | |
| 112 | S | A | -1.6083 | |
| 113 | K | A | -2.6510 | |
| 114 | D | A | -3.0464 | |
| 115 | F | A | 0.0000 | |
| 116 | E | A | -2.5176 | |
| 117 | T | A | -1.4750 | |
| 118 | L | A | -1.2258 | |
| 119 | K | A | -0.7852 | |
| 120 | V | A | 0.2761 | |
| 121 | D | A | -1.4572 | |
| 122 | F | A | -0.7044 | |
| 123 | L | A | -0.5843 | |
| 124 | S | A | -1.3547 | |
| 125 | K | A | -2.3885 | |
| 126 | L | A | 0.0000 | |
| 127 | P | A | -1.7311 | |
| 128 | E | A | -2.6316 | |
| 129 | M | A | -1.6333 | |
| 130 | L | A | 0.0000 | |
| 131 | K | A | -2.2132 | |
| 132 | M | A | -1.2193 | |
| 133 | F | A | 0.0000 | |
| 134 | E | A | 0.0000 | |
| 135 | D | A | -2.3211 | |
| 136 | R | A | -1.5400 | |
| 137 | L | A | 0.0000 | |
| 138 | C | A | -1.1108 | |
| 139 | H | A | -1.7035 | |
| 140 | K | A | -1.9232 | |
| 141 | T | A | -1.4129 | |
| 142 | Y | A | -1.1335 | |
| 143 | L | A | 0.0000 | |
| 144 | N | A | -1.3386 | |
| 145 | G | A | -1.7584 | |
| 146 | D | A | -2.5938 | |
| 147 | H | A | -2.0171 | |
| 148 | V | A | 0.0000 | |
| 149 | T | A | 0.0000 | |
| 150 | H | A | 0.0000 | |
| 151 | P | A | 0.0000 | |
| 152 | D | A | 0.0000 | |
| 153 | F | A | 0.0000 | |
| 154 | M | A | 0.0000 | |
| 155 | L | A | 0.0000 | |
| 156 | Y | A | 0.0000 | |
| 157 | D | A | 0.0000 | |
| 158 | A | A | 0.0000 | |
| 159 | L | A | 0.0000 | |
| 160 | D | A | -0.2497 | |
| 161 | V | A | 0.0000 | |
| 162 | V | A | 0.0000 | |
| 163 | L | A | 0.0000 | |
| 164 | Y | A | 0.5065 | |
| 165 | M | A | 0.0000 | |
| 166 | D | A | 0.2096 | |
| 167 | P | A | 0.0805 | |
| 168 | M | A | 0.3161 | |
| 169 | C | A | -0.0095 | |
| 170 | L | A | 0.0000 | |
| 171 | D | A | -1.4213 | |
| 172 | A | A | -0.8773 | |
| 173 | F | A | 0.0000 | |
| 174 | P | A | -1.1254 | |
| 175 | K | A | -1.6212 | |
| 176 | L | A | 0.0000 | |
| 177 | V | A | -0.4358 | |
| 178 | C | A | -1.0512 | |
| 179 | F | A | 0.0000 | |
| 180 | K | A | 0.0000 | |
| 181 | K | A | -1.4244 | |
| 182 | R | A | -0.8981 | |
| 183 | I | A | 0.0000 | |
| 184 | E | A | -1.2787 | |
| 185 | A | A | -1.0471 | |
| 186 | I | A | 0.0000 | |
| 187 | P | A | -1.0506 | |
| 188 | Q | A | -1.4765 | |
| 189 | I | A | 0.0000 | |
| 190 | D | A | -2.0077 | |
| 191 | K | A | -2.6517 | |
| 192 | Y | A | 0.0000 | |
| 193 | L | A | -1.4535 | |
| 194 | K | A | -2.3987 | |
| 195 | S | A | -1.5732 | |
| 196 | S | A | -0.7885 | |
| 197 | K | A | -0.8694 | |
| 198 | Y | A | -0.4671 | |
| 199 | I | A | 0.0476 | |
| 200 | A | A | 0.0001 | |
| 201 | W | A | -0.5025 | |
| 202 | P | A | 0.0000 | |
| 203 | L | A | 0.0000 | |
| 204 | Q | A | 0.0000 | |
| 205 | G | A | 0.0000 | |
| 206 | W | A | -1.5662 | |
| 207 | Q | A | -1.4501 | |
| 208 | A | A | 0.0000 | |
| 209 | T | A | -0.9750 | |
| 210 | F | A | 0.0000 | |
| 211 | G | A | 0.0000 | |
| 212 | G | A | -0.9386 | |
| 213 | G | A | -1.8779 | |
| 214 | D | A | -2.7478 | |
| 215 | H | A | -2.2404 | |
| 216 | P | A | -1.3663 | |
| 217 | P | A | -1.6071 | |
| 218 | K | A | -2.2249 | |
| 219 | S | A | -1.3990 | |
| 220 | D | A | -1.8656 | |
| 221 | L | A | -0.2190 | |
| 222 | V | A | -0.2067 | |
| 223 | P | A | 0.0000 | |
| 224 | R | A | -1.7462 | |
| 225 | G | A | -1.3883 | |
| 226 | S | A | -0.7826 | |
| 227 | P | A | -0.7511 | |
| 228 | M | A | -0.3247 | |
| 229 | G | A | -0.7404 | |
| 230 | G | A | -1.1869 | |
| 231 | S | A | -0.9359 | |
| 232 | G | A | -1.0343 | |
| 233 | Q | A | -1.0803 | |
| 234 | V | A | 0.0103 | |
| 235 | V | A | -0.2541 | |
| 236 | Q | A | -1.6967 | |
| 237 | F | A | 0.0000 | |
| 238 | K | A | -2.2963 | |
| 239 | L | A | 0.0000 | |
| 240 | S | A | -1.3650 | |
| 241 | D | A | -2.5521 | |
| 242 | I | A | -1.2628 | |
| 243 | G | A | -1.8938 | |
| 244 | E | A | -2.5517 | |
| 245 | G | A | -2.1084 | |
| 246 | I | A | -2.4753 | |
| 247 | R | A | -2.7328 | |
| 248 | E | A | -2.0532 | |
| 249 | V | A | 0.0000 | |
| 250 | T | A | -1.3108 | |
| 251 | V | A | 0.0000 | |
| 252 | K | A | -2.0871 | |
| 253 | E | A | -1.9396 | |
| 254 | W | A | -0.7133 | |
| 255 | Y | A | -0.2706 | |
| 256 | V | A | -1.0463 | |
| 257 | K | A | -2.5423 | |
| 258 | E | A | -2.7468 | |
| 259 | G | A | -2.1891 | |
| 260 | D | A | -1.9709 | |
| 261 | T | A | -1.2359 | |
| 262 | V | A | 0.0000 | |
| 263 | S | A | -1.0648 | |
| 264 | Q | A | -1.4639 | |
| 265 | F | A | 0.3204 | |
| 266 | D | A | -0.6525 | |
| 267 | S | A | -0.2857 | |
| 268 | I | A | 0.0000 | |
| 269 | C | A | 0.0000 | |
| 270 | E | A | -1.0823 | |
| 271 | V | A | 0.0000 | |
| 272 | Q | A | -2.0455 | |
| 273 | S | A | -2.0552 | |
| 274 | D | A | -2.9248 | |
| 275 | K | A | -2.6355 | |
| 276 | A | A | -1.3897 | |
| 277 | S | A | -1.0025 | |
| 278 | V | A | -0.1074 | |
| 279 | T | A | -0.3923 | |
| 280 | I | A | 0.0000 | |
| 281 | T | A | -0.2535 | |
| 282 | S | A | 0.0000 | |
| 283 | R | A | -1.9426 | |
| 284 | Y | A | -1.2711 | |
| 285 | D | A | -1.7669 | |
| 286 | G | A | -1.4258 | |
| 287 | V | A | -1.0976 | |
| 288 | I | A | 0.0000 | |
| 289 | K | A | -2.2496 | |
| 290 | K | A | -2.0272 | |
| 291 | L | A | -1.0325 | |
| 292 | Y | A | -0.3785 | |
| 293 | Y | A | -0.3333 | |
| 294 | N | A | -1.3140 | |
| 295 | L | A | -0.9629 | |
| 296 | D | A | -2.1800 | |
| 297 | D | A | -1.1193 | |
| 298 | I | A | 0.3139 | |
| 299 | A | A | 0.0000 | |
| 300 | Y | A | -0.6379 | |
| 301 | V | A | -1.5056 | |
| 302 | G | A | -1.9533 | |
| 303 | K | A | -1.9882 | |
| 304 | P | A | -1.5537 | |
| 305 | L | A | 0.0000 | |
| 306 | V | A | 0.0000 | |
| 307 | D | A | -1.2229 | |
| 308 | I | A | 0.0000 | |
| 309 | E | A | -1.1093 | |
| 310 | T | A | 0.0000 | |
| 311 | E | A | -2.1156 | |
| 312 | A | A | -1.2841 | |
| 313 | L | A | -0.7994 | |
| 314 | K | A | -2.6015 | |
| 315 | D | A | -3.2304 | |
| 316 | S | A | -2.9319 | |
| 317 | E | A | -3.7599 | |
| 318 | E | A | -3.1124 | |
| 319 | D | A | -2.0714 | |
| 320 | V | A | 0.4174 | |
| 321 | V | A | 0.9308 | |
| 322 | E | A | -0.7802 | |
| 323 | T | A | -0.0668 | |
| 324 | P | A | -0.0934 | |
| 325 | A | A | 0.3278 | |
| 326 | V | A | 1.1403 | |
| 327 | S | A | -0.2882 | |
| 328 | H | A | -1.9545 | |
| 329 | D | A | -3.2911 | |
| 330 | E | A | -3.4659 | |
| 331 | H | A | -2.7696 | |
| 332 | T | A | -1.9572 | |
| 333 | H | A | -2.0567 | |
| 334 | Q | A | -2.3681 | |
| 335 | E | A | -2.1690 | |
| 336 | I | A | -0.3957 | |
| 337 | K | A | -2.1571 | |
| 338 | G | A | -2.4083 | |
| 339 | R | A | -2.9329 | |
| 340 | K | A | -2.5439 | |
| 341 | T | A | -0.6719 | |
| 342 | L | A | 0.8780 | |
| 343 | A | A | 0.5073 | |
| 344 | T | A | 0.4493 | |
| 345 | P | A | 0.1352 | |
| 346 | A | A | 0.1834 | |
| 347 | V | A | 0.2912 | |
| 348 | R | A | -2.0313 | |
| 349 | R | A | -2.5729 | |
| 350 | G | A | -2.0324 | |
| 351 | S | A | -1.4914 | |
| 352 | G | A | -1.1678 | |
| 353 | N | A | -0.7843 | |
| 354 | Y | A | 0.7311 | |
| 355 | T | A | 0.3477 | |
| 356 | L | A | 0.7803 | |
| 357 | D | A | -1.0531 | |
| 358 | S | A | -0.7537 | |
| 359 | S | A | -0.6299 | |
| 360 | A | A | -0.3779 | |
| 361 | A | A | -0.1686 | |
| 362 | P | A | -0.4881 | |
| 363 | T | A | -0.5895 | |
| 364 | P | A | -0.9065 | |
| 365 | Q | A | -1.3591 | |
| 366 | A | A | -0.6231 | |
| 367 | A | A | -0.3943 | |
| 368 | P | A | -0.3977 | |
| 369 | A | A | -0.2172 | |
| 370 | P | A | -0.3719 | |
| 371 | T | A | -0.3127 | |
| 372 | P | A | -0.3117 | |
| 373 | A | A | -0.1022 | |
| 374 | A | A | -0.0335 | |
| 375 | T | A | -0.1366 | |
| 376 | A | A | -0.1605 | |
| 377 | S | A | -0.3975 | |
| 378 | P | A | -0.5370 | |
| 379 | P | A | -0.5625 | |
| 380 | T | A | -0.4685 | |
| 381 | P | A | -0.7194 | |
| 382 | S | A | -0.7023 | |
| 383 | A | A | -0.7872 | |
| 384 | Q | A | -1.4249 | |
| 385 | A | A | -0.8302 | |
| 386 | P | A | -0.8643 | |
| 387 | G | A | -0.9328 | |
| 388 | S | A | -0.4743 | |
| 389 | S | A | -0.3124 | |
| 390 | Y | A | -0.0024 | |
| 391 | P | A | -0.5441 | |
| 392 | P | A | -0.8881 | |
| 393 | H | A | -0.9167 | |
| 394 | M | A | -0.2869 | |
| 395 | Q | A | -0.0203 | |
| 396 | V | A | 0.2285 | |
| 397 | L | A | 0.9076 | |
| 398 | L | A | 0.0000 | |
| 399 | P | A | 0.4161 | |
| 400 | A | A | 0.1556 | |
| 401 | L | A | 0.3348 | |
| 402 | S | A | -0.4256 | |
| 403 | P | A | -0.2287 | |
| 404 | T | A | -0.6029 | |
| 405 | M | A | 0.0000 | |
| 406 | T | A | -0.2582 | |
| 407 | M | A | -0.7151 | |
| 408 | G | A | 0.0000 | |
| 409 | T | A | -2.6773 | |
| 410 | V | A | 0.0000 | |
| 411 | Q | A | -3.0106 | |
| 412 | R | A | -3.3483 | |
| 413 | W | A | 0.0000 | |
| 414 | E | A | -3.1505 | |
| 415 | K | A | -2.4734 | |
| 416 | K | A | -2.4553 | |
| 417 | V | A | -0.7666 | |
| 418 | G | A | -1.6898 | |
| 419 | E | A | -2.6353 | |
| 420 | K | A | -3.5126 | |
| 421 | L | A | 0.0000 | |
| 422 | S | A | -2.9816 | |
| 423 | E | A | -3.7070 | |
| 424 | G | A | -2.5754 | |
| 425 | D | A | -2.4555 | |
| 426 | L | A | -1.4822 | |
| 427 | L | A | 0.0000 | |
| 428 | A | A | 0.0000 | |
| 429 | E | A | -2.2651 | |
| 430 | I | A | 0.0000 | |
| 431 | E | A | -2.5581 | |
| 432 | T | A | -2.2346 | |
| 433 | D | A | -2.9470 | |
| 434 | K | A | -2.6792 | |
| 435 | A | A | -1.4028 | |
| 436 | T | A | -1.1445 | |
| 437 | I | A | -0.4267 | |
| 438 | G | A | -1.0898 | |
| 439 | F | A | 0.0000 | |
| 440 | E | A | -2.4005 | |
| 441 | V | A | 0.0000 | |
| 442 | Q | A | -3.2061 | |
| 443 | E | A | -3.5789 | |
| 444 | E | A | -4.1081 | |
| 445 | G | A | 0.0000 | |
| 446 | Y | A | -3.0051 | |
| 447 | L | A | 0.0000 | |
| 448 | A | A | 0.0000 | |
| 449 | K | A | -0.5005 | |
| 450 | I | A | 0.0593 | |
| 451 | L | A | -0.1663 | |
| 452 | V | A | 0.0000 | |
| 453 | P | A | -1.1848 | |
| 454 | E | A | -2.4640 | |
| 455 | G | A | -2.2370 | |
| 456 | T | A | -2.1561 | |
| 457 | R | A | -3.1617 | |
| 458 | D | A | -2.8252 | |
| 459 | V | A | 0.0000 | |
| 460 | P | A | -0.3877 | |
| 461 | L | A | 0.4282 | |
| 462 | G | A | 0.2849 | |
| 463 | T | A | 0.2937 | |
| 464 | P | A | 0.3714 | |
| 465 | L | A | 0.0000 | |
| 466 | C | A | 0.0000 | |
| 467 | I | A | 0.0000 | |
| 468 | I | A | 0.0000 | |
| 469 | V | A | 0.0000 | |
| 470 | E | A | -3.8145 | |
| 471 | K | A | -3.9477 | |
| 472 | E | A | -3.5594 | |
| 473 | A | A | -1.7868 | |
| 474 | D | A | -1.7712 | |
| 475 | I | A | -1.2295 | |
| 476 | S | A | -0.6611 | |
| 477 | A | A | -0.4148 | |
| 478 | F | A | 0.0000 | |
| 479 | A | A | -1.0310 | |
| 480 | D | A | -2.3181 | |
| 481 | Y | A | 0.0000 | |
| 482 | R | A | -2.6714 | |
| 483 | P | A | -1.5095 | |
| 484 | T | A | -1.0602 | |
| 485 | E | A | -1.6863 | |
| 486 | V | A | 0.5474 | |
| 487 | T | A | -0.5370 | |
| 488 | D | A | -1.5663 | |
| 489 | L | A | -0.0953 | |
| 490 | K | A | -1.9035 | |
| 491 | G | A | -1.4486 | |
| 492 | S | A | -1.4212 | |
| 493 | G | A | -1.6753 | |
| 494 | D | A | -2.2171 | |
| 495 | D | A | -1.6495 | |
| 496 | L | A | -0.4664 | |
| 497 | V | A | -0.4256 | |
| 498 | T | A | -0.1373 | |
| 499 | V | A | -0.3448 | |
| 500 | K | A | -1.6688 | |
| 501 | T | A | 0.0000 | |
| 502 | P | A | -0.9253 | |
| 503 | A | A | -0.9112 | |
| 504 | F | A | -0.8058 | |
| 505 | A | A | -0.9472 | |
| 506 | E | A | -1.7773 | |
| 507 | S | A | -1.4568 | |
| 508 | V | A | -1.6128 | |
| 509 | T | A | -1.6312 | |
| 510 | E | A | -2.9374 | |
| 511 | G | A | 0.0000 | |
| 512 | D | A | -2.9081 | |
| 513 | V | A | 0.0000 | |
| 514 | R | A | -2.4613 | |
| 515 | W | A | 0.0000 | |
| 516 | E | A | -2.4202 | |
| 517 | K | A | -0.9930 | |
| 518 | A | A | -0.3107 | |
| 519 | V | A | 1.0162 | |
| 520 | G | A | -0.2575 | |
| 521 | D | A | -0.4654 | |
| 522 | T | A | -0.4914 | |
| 523 | V | A | 0.0000 | |
| 524 | A | A | -1.7761 | |
| 525 | E | A | -3.1843 | |
| 526 | D | A | -3.1906 | |
| 527 | E | A | -2.4315 | |
| 528 | V | A | -1.5310 | |
| 529 | V | A | 0.0000 | |
| 530 | C | A | 0.0000 | |
| 531 | E | A | -1.9971 | |
| 532 | I | A | 0.0000 | |
| 533 | E | A | -3.2064 | |
| 534 | T | A | -2.7444 | |
| 535 | D | A | -3.2014 | |
| 536 | K | A | -2.8052 | |
| 537 | T | A | -1.8106 | |
| 538 | S | A | -1.7998 | |
| 539 | V | A | -1.0093 | |
| 540 | Q | A | -1.9196 | |
| 541 | V | A | 0.0000 | |
| 542 | P | A | -1.5667 | |
| 543 | S | A | 0.0000 | |
| 544 | P | A | -1.5051 | |
| 545 | A | A | -1.9693 | |
| 546 | N | A | -1.9202 | |
| 547 | G | A | 0.0000 | |
| 548 | V | A | -0.4075 | |
| 549 | I | A | 0.0000 | |
| 550 | E | A | -1.2192 | |
| 551 | A | A | 0.0080 | |
| 552 | L | A | 0.8238 | |
| 553 | L | A | 0.8070 | |
| 554 | V | A | 0.0000 | |
| 555 | P | A | -0.6909 | |
| 556 | D | A | -1.1956 | |
| 557 | G | A | -2.0320 | |
| 558 | G | A | -1.4162 | |
| 559 | K | A | -2.9995 | |
| 560 | V | A | 0.0000 | |
| 561 | E | A | -3.1360 | |
| 562 | G | A | -1.8765 | |
| 563 | G | A | -1.4162 | |
| 564 | T | A | -1.5202 | |
| 565 | P | A | -0.7503 | |
| 566 | L | A | 0.0000 | |
| 567 | F | A | 0.0000 | |
| 568 | T | A | -0.1046 | |
| 569 | L | A | 0.0000 | |
| 570 | R | A | -1.7009 | |
| 571 | K | A | -1.7550 | |
| 572 | T | A | -0.8815 | |
| 573 | G | A | -1.0596 | |
| 574 | A | A | -0.6997 | |
| 575 | G | A | -0.9469 | |
| 576 | S | A | -1.1412 | |
| 577 | G | A | -1.6145 | |
| 578 | H | A | -2.2698 | |
| 579 | H | A | -2.5702 | |
| 580 | H | A | -2.7495 | |
| 581 | H | A | -2.6885 | |
| 582 | H | A | -2.3881 | |
| 583 | H | A | -1.8987 |
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 | -0.6402 | 3.9857 | View | CSV | PDB |
| 4.5 | -0.7453 | 3.8748 | View | CSV | PDB |
| 5.0 | -0.8744 | 3.7015 | View | CSV | PDB |
| 5.5 | -1.0035 | 3.4944 | View | CSV | PDB |
| 6.0 | -1.1079 | 3.2908 | View | CSV | PDB |
| 6.5 | -1.171 | 3.2451 | View | CSV | PDB |
| 7.0 | -1.1946 | 3.2451 | View | CSV | PDB |
| 7.5 | -1.1937 | 3.2451 | View | CSV | PDB |
| 8.0 | -1.1798 | 3.2451 | View | CSV | PDB |
| 8.5 | -1.1551 | 3.2451 | View | CSV | PDB |
| 9.0 | -1.1162 | 3.2451 | 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