| Chain sequence(s) |
A: MLSHMVLTRQDIGRAASYYEDGADEYYAKDGKASEWQGKGAEELGLSGAVDSKRFRELLAGNIGGGHRIMRSATRQDSKERIGLDLTFSAPKSVSLQALVAGNAEIIKAHDRAVARTLEQAEARAQARQKIQGKTRIETTGNLVIGKFRHEWSLTREPQLHTHAVILNMTKRSDGQWRALKNDEIVKATRYLGAVYNAELAHELQKLGYQLRYGKDGNFDLAFISRQQIEGFDKRTEQIAEWYAARGLDPNSVSLEQKQAAKVLSAPEREPFDREALRAEWQATAKELGIDFSRKEPYNVPPGVPPAAPPAPVPSDEAAKRAVRYAINHLTERQEVVDERELVDTAMKHAVGEASLEDIQKELLRQTETGELIREAPRYRPGGQTGPTDEPGKTRAEWVAELAAKGMKQGAARERVDNAIKTGGLVPIEPRYTTQTALEREKRILQIERDGRGSVEPIIPAEAARERLASTDLNQGQREAAELIVSSPDRVVGVQGATGTGKSHMLDTAKQMIEGEGYHVRALAPYGSQVKALRELGIEANTLASFLRAKEKNIDKKTVLVIDEAGVVPTRLMEQTLKLAEKAGARVVLMGDSSQTKAIEAGDPFDQLQAAGLPTAHMTEILRQKNPELKIAVELAAAGEASSSLERIKDVTEIPDHHERRAAVAEAYIALSPDERDRTLIVSGTNEARREINQIVREGLGLAGKGIEFDTLVRVDTTQAERRYSKNFQVGHVIQPLKDYPEVGLKKGKLYRVVETGPGNRLTVIGLETGQRIQFDPMTLPDISVYQPERAELAVGDTIRITRNNPELDLANGDRMKVVAVEPDKVTVTDGKRNVELPTDKPLFVDHAYATTVHSSQGLTADRVLIDAHAESRTTAKDVYYVAISRAREEARVFTNDKAKLPAAIARENIKERAHDLPLDPDAASAAAERQREQQREAERNRQTQIPAHDRQKAAREAERGMEALR
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] (00:00:00)
[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 A 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. (00:00:04)
[INFO] FoldX: Starting FoldX energy minimization (00:00:04)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:21:27)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/e7966ed5bb870ed/tmp/folded.pdb (00:21:27)
[INFO] Main: Simulation completed successfully. (00:28:21)
|
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 | 0.1512 | |
| 2 | L | A | -0.2348 | |
| 3 | S | A | -0.4522 | |
| 4 | H | A | -0.2311 | |
| 5 | M | A | 0.7505 | |
| 6 | V | A | 1.3035 | |
| 7 | L | A | 0.0000 | |
| 8 | T | A | 0.0000 | |
| 9 | R | A | -3.0716 | |
| 10 | Q | A | -2.7058 | |
| 11 | D | A | -1.7430 | |
| 12 | I | A | -1.4039 | |
| 13 | G | A | -1.6703 | |
| 14 | R | A | -2.3742 | |
| 15 | A | A | 0.0000 | |
| 16 | A | A | -1.2672 | |
| 17 | S | A | -1.3875 | |
| 18 | Y | A | 0.0000 | |
| 19 | Y | A | -1.3841 | |
| 20 | E | A | -2.4701 | |
| 21 | D | A | -1.7792 | |
| 22 | G | A | 0.0000 | |
| 23 | A | A | -1.9260 | |
| 24 | D | A | -2.4709 | |
| 25 | E | A | 0.0000 | |
| 26 | Y | A | -0.9244 | |
| 27 | Y | A | -1.2397 | |
| 28 | A | A | -2.1930 | |
| 29 | K | A | -3.0824 | |
| 30 | D | A | -3.2250 | |
| 31 | G | A | -2.7623 | |
| 32 | K | A | -3.1877 | |
| 33 | A | A | 0.0000 | |
| 34 | S | A | -1.2041 | |
| 35 | E | A | -1.5511 | |
| 36 | W | A | 0.0000 | |
| 37 | Q | A | -1.3548 | |
| 38 | G | A | -2.0554 | |
| 39 | K | A | -3.2257 | |
| 40 | G | A | 0.0000 | |
| 41 | A | A | 0.0000 | |
| 42 | E | A | -3.4564 | |
| 43 | E | A | -3.2406 | |
| 44 | L | A | -1.6699 | |
| 45 | G | A | -1.7387 | |
| 46 | L | A | -1.6798 | |
| 47 | S | A | -1.3733 | |
| 48 | G | A | -1.2293 | |
| 49 | A | A | -1.4052 | |
| 50 | V | A | 0.0000 | |
| 51 | D | A | -2.5785 | |
| 52 | S | A | -2.2856 | |
| 53 | K | A | -2.8511 | |
| 54 | R | A | -2.3068 | |
| 55 | F | A | 0.0000 | |
| 56 | R | A | -1.9120 | |
| 57 | E | A | -2.1050 | |
| 58 | L | A | 0.0000 | |
| 59 | L | A | 0.0000 | |
| 60 | A | A | -1.0963 | |
| 61 | G | A | 0.0000 | |
| 62 | N | A | -1.5803 | |
| 63 | I | A | -1.2012 | |
| 64 | G | A | -1.3945 | |
| 65 | G | A | -1.2406 | |
| 66 | G | A | -1.4266 | |
| 67 | H | A | -1.6647 | |
| 68 | R | A | -2.2516 | |
| 69 | I | A | 0.0000 | |
| 70 | M | A | 0.2034 | |
| 71 | R | A | -0.4819 | |
| 72 | S | A | -0.5974 | |
| 73 | A | A | -0.4933 | |
| 74 | T | A | -1.8308 | |
| 75 | R | A | -3.4287 | |
| 76 | Q | A | -3.3447 | |
| 77 | D | A | -3.4116 | |
| 78 | S | A | -2.9177 | |
| 79 | K | A | -3.4340 | |
| 80 | E | A | -2.7110 | |
| 81 | R | A | -1.3000 | |
| 82 | I | A | 0.0000 | |
| 83 | G | A | 0.0000 | |
| 84 | L | A | 0.0000 | |
| 85 | D | A | 0.0000 | |
| 86 | L | A | 0.0000 | |
| 87 | T | A | -0.1116 | |
| 88 | F | A | 0.0000 | |
| 89 | S | A | -0.0189 | |
| 90 | A | A | 0.0000 | |
| 91 | P | A | 0.0000 | |
| 92 | K | A | -0.7024 | |
| 93 | S | A | 0.0000 | |
| 94 | V | A | 0.0000 | |
| 95 | S | A | 0.0000 | |
| 96 | L | A | 0.0000 | |
| 97 | Q | A | 0.0000 | |
| 98 | A | A | 0.0000 | |
| 99 | L | A | 0.0000 | |
| 100 | V | A | 0.0000 | |
| 101 | A | A | -0.4333 | |
| 102 | G | A | -0.5156 | |
| 103 | N | A | -0.9987 | |
| 104 | A | A | -1.3333 | |
| 105 | E | A | -2.3522 | |
| 106 | I | A | 0.0000 | |
| 107 | I | A | 0.0000 | |
| 108 | K | A | -3.1395 | |
| 109 | A | A | 0.0000 | |
| 110 | H | A | 0.0000 | |
| 111 | D | A | -2.5403 | |
| 112 | R | A | -2.4647 | |
| 113 | A | A | 0.0000 | |
| 114 | V | A | 0.0000 | |
| 115 | A | A | -1.5999 | |
| 116 | R | A | -1.9642 | |
| 117 | T | A | 0.0000 | |
| 118 | L | A | 0.0000 | |
| 119 | E | A | -2.5293 | |
| 120 | Q | A | -1.4392 | |
| 121 | A | A | 0.0000 | |
| 122 | E | A | 0.0000 | |
| 123 | A | A | -0.8765 | |
| 124 | R | A | -1.0544 | |
| 125 | A | A | 0.0000 | |
| 126 | Q | A | -1.0242 | |
| 127 | A | A | 0.0000 | |
| 128 | R | A | -1.8800 | |
| 129 | Q | A | -2.1903 | |
| 130 | K | A | -2.8439 | |
| 131 | I | A | -1.6517 | |
| 132 | Q | A | -2.0140 | |
| 133 | G | A | -2.1353 | |
| 134 | K | A | -2.6964 | |
| 135 | T | A | -2.3968 | |
| 136 | R | A | -1.7874 | |
| 137 | I | A | 0.0000 | |
| 138 | E | A | -0.9319 | |
| 139 | T | A | -0.6723 | |
| 140 | T | A | -0.6064 | |
| 141 | G | A | -0.9398 | |
| 142 | N | A | -1.6479 | |
| 143 | L | A | 0.0000 | |
| 144 | V | A | 0.0000 | |
| 145 | I | A | 0.0000 | |
| 146 | G | A | 0.0000 | |
| 147 | K | A | 0.0000 | |
| 148 | F | A | 0.0000 | |
| 149 | R | A | 0.0000 | |
| 150 | H | A | 0.0000 | |
| 151 | E | A | 0.0000 | |
| 152 | W | A | -0.0295 | |
| 153 | S | A | 0.1375 | |
| 154 | L | A | 0.2300 | |
| 155 | T | A | -0.8531 | |
| 156 | R | A | -0.8209 | |
| 157 | E | A | 0.0000 | |
| 158 | P | A | 0.0000 | |
| 159 | Q | A | -0.3617 | |
| 160 | L | A | 0.0000 | |
| 161 | H | A | -0.2185 | |
| 162 | T | A | 0.0000 | |
| 163 | H | A | -0.1779 | |
| 164 | A | A | 0.0000 | |
| 165 | V | A | 0.0000 | |
| 166 | I | A | 0.0000 | |
| 167 | L | A | 0.0000 | |
| 168 | N | A | 0.0000 | |
| 169 | M | A | 0.0000 | |
| 170 | T | A | 0.0000 | |
| 171 | K | A | -1.6364 | |
| 172 | R | A | 0.0000 | |
| 173 | S | A | -1.4600 | |
| 174 | D | A | -2.3004 | |
| 175 | G | A | -1.7208 | |
| 176 | Q | A | -1.6283 | |
| 177 | W | A | 0.0000 | |
| 178 | R | A | -1.1199 | |
| 179 | A | A | -0.4605 | |
| 180 | L | A | 0.0000 | |
| 181 | K | A | -0.9346 | |
| 182 | N | A | -0.7380 | |
| 183 | D | A | -1.4142 | |
| 184 | E | A | -1.5586 | |
| 185 | I | A | 0.0000 | |
| 186 | V | A | -1.0416 | |
| 187 | K | A | -2.2101 | |
| 188 | A | A | 0.0000 | |
| 189 | T | A | 0.0000 | |
| 190 | R | A | -2.3508 | |
| 191 | Y | A | 0.0000 | |
| 192 | L | A | 0.0000 | |
| 193 | G | A | -0.7222 | |
| 194 | A | A | 0.0000 | |
| 195 | V | A | 0.0000 | |
| 196 | Y | A | 0.0000 | |
| 197 | N | A | -0.3240 | |
| 198 | A | A | 0.0000 | |
| 199 | E | A | -0.9658 | |
| 200 | L | A | 0.0000 | |
| 201 | A | A | 0.0000 | |
| 202 | H | A | -1.3235 | |
| 203 | E | A | 0.0000 | |
| 204 | L | A | 0.0000 | |
| 205 | Q | A | -1.7689 | |
| 206 | K | A | -1.9534 | |
| 207 | L | A | -1.1671 | |
| 208 | G | A | -1.3815 | |
| 209 | Y | A | 0.0000 | |
| 210 | Q | A | -1.2115 | |
| 211 | L | A | 0.0000 | |
| 212 | R | A | -0.8539 | |
| 213 | Y | A | -1.0626 | |
| 214 | G | A | -1.9408 | |
| 215 | K | A | -3.0781 | |
| 216 | D | A | -3.0341 | |
| 217 | G | A | -1.9496 | |
| 218 | N | A | -1.7148 | |
| 219 | F | A | 0.0000 | |
| 220 | D | A | -0.7935 | |
| 221 | L | A | 0.0000 | |
| 222 | A | A | 0.0000 | |
| 223 | F | A | 0.0000 | |
| 224 | I | A | 0.0000 | |
| 225 | S | A | -1.7125 | |
| 226 | R | A | -2.9443 | |
| 227 | Q | A | -2.7779 | |
| 228 | Q | A | 0.0000 | |
| 229 | I | A | 0.0000 | |
| 230 | E | A | -3.5473 | |
| 231 | G | A | -2.3752 | |
| 232 | F | A | 0.0000 | |
| 233 | D | A | -2.8443 | |
| 234 | K | A | -3.2517 | |
| 235 | R | A | -2.4465 | |
| 236 | T | A | -2.4567 | |
| 237 | E | A | -3.4529 | |
| 238 | Q | A | -2.5631 | |
| 239 | I | A | -1.4034 | |
| 240 | A | A | -2.2428 | |
| 241 | E | A | -2.6122 | |
| 242 | W | A | -1.4334 | |
| 243 | Y | A | 0.0000 | |
| 244 | A | A | -1.5920 | |
| 245 | A | A | -1.3285 | |
| 246 | R | A | -2.3508 | |
| 247 | G | A | -1.7211 | |
| 248 | L | A | -1.6666 | |
| 249 | D | A | -2.1366 | |
| 250 | P | A | -1.7690 | |
| 251 | N | A | -2.0374 | |
| 252 | S | A | -1.4574 | |
| 253 | V | A | 0.0000 | |
| 254 | S | A | -0.7088 | |
| 255 | L | A | -0.0297 | |
| 256 | E | A | -2.0143 | |
| 257 | Q | A | -1.2463 | |
| 258 | K | A | -1.5720 | |
| 259 | Q | A | -1.6463 | |
| 260 | A | A | -0.4922 | |
| 261 | A | A | 0.0000 | |
| 262 | K | A | -0.7384 | |
| 263 | V | A | 1.5911 | |
| 264 | L | A | 1.6710 | |
| 265 | S | A | 0.3746 | |
| 266 | A | A | 0.1854 | |
| 267 | P | A | -1.2475 | |
| 268 | E | A | -3.0353 | |
| 269 | R | A | -3.5145 | |
| 270 | E | A | -3.1573 | |
| 271 | P | A | -1.7604 | |
| 272 | F | A | -1.2500 | |
| 273 | D | A | -2.1658 | |
| 274 | R | A | -2.3811 | |
| 275 | E | A | -2.6548 | |
| 276 | A | A | -2.0001 | |
| 277 | L | A | -1.8672 | |
| 278 | R | A | -1.9665 | |
| 279 | A | A | -1.7300 | |
| 280 | E | A | -2.5682 | |
| 281 | W | A | 0.0000 | |
| 282 | Q | A | -2.2030 | |
| 283 | A | A | -2.1363 | |
| 284 | T | A | -1.9803 | |
| 285 | A | A | 0.0000 | |
| 286 | K | A | -3.2323 | |
| 287 | E | A | -2.7646 | |
| 288 | L | A | -1.7549 | |
| 289 | G | A | -1.7780 | |
| 290 | I | A | 0.0000 | |
| 291 | D | A | -1.5658 | |
| 292 | F | A | -0.8752 | |
| 293 | S | A | -0.8627 | |
| 294 | R | A | -1.2688 | |
| 295 | K | A | -1.6674 | |
| 296 | E | A | -1.4445 | |
| 297 | P | A | -0.8121 | |
| 298 | Y | A | -0.6406 | |
| 299 | N | A | -1.0669 | |
| 300 | V | A | -0.0420 | |
| 301 | P | A | -0.0816 | |
| 302 | P | A | -0.2084 | |
| 303 | G | A | 0.1408 | |
| 304 | V | A | 1.2659 | |
| 305 | P | A | 0.3628 | |
| 306 | P | A | -0.1609 | |
| 307 | A | A | -0.0204 | |
| 308 | A | A | -0.2700 | |
| 309 | P | A | -0.6396 | |
| 310 | P | A | -0.4407 | |
| 311 | A | A | -0.1732 | |
| 312 | P | A | -0.3943 | |
| 313 | V | A | -0.6986 | |
| 314 | P | A | -1.4117 | |
| 315 | S | A | -2.3231 | |
| 316 | D | A | -3.5851 | |
| 317 | E | A | -3.3949 | |
| 318 | A | A | 0.0000 | |
| 319 | A | A | 0.0000 | |
| 320 | K | A | -3.1779 | |
| 321 | R | A | -2.9407 | |
| 322 | A | A | 0.0000 | |
| 323 | V | A | 0.0000 | |
| 324 | R | A | -2.3967 | |
| 325 | Y | A | 0.0000 | |
| 326 | A | A | 0.0000 | |
| 327 | I | A | 0.0000 | |
| 328 | N | A | -2.0154 | |
| 329 | H | A | -1.5224 | |
| 330 | L | A | 0.0000 | |
| 331 | T | A | -1.1702 | |
| 332 | E | A | -1.2962 | |
| 333 | R | A | -0.9325 | |
| 334 | Q | A | -1.2575 | |
| 335 | E | A | 0.0000 | |
| 336 | V | A | 0.0000 | |
| 337 | V | A | 0.0000 | |
| 338 | D | A | -1.8678 | |
| 339 | E | A | -2.1471 | |
| 340 | R | A | -2.4863 | |
| 341 | E | A | -1.9927 | |
| 342 | L | A | 0.0000 | |
| 343 | V | A | 0.0000 | |
| 344 | D | A | -1.5418 | |
| 345 | T | A | 0.0000 | |
| 346 | A | A | 0.0000 | |
| 347 | M | A | 0.0000 | |
| 348 | K | A | -1.3567 | |
| 349 | H | A | 0.0000 | |
| 350 | A | A | 0.0000 | |
| 351 | V | A | 0.0000 | |
| 352 | G | A | 0.0000 | |
| 353 | E | A | -1.8395 | |
| 354 | A | A | 0.0000 | |
| 355 | S | A | -1.4848 | |
| 356 | L | A | 0.0000 | |
| 357 | E | A | -2.9871 | |
| 358 | D | A | -2.8833 | |
| 359 | I | A | 0.0000 | |
| 360 | Q | A | -2.4470 | |
| 361 | K | A | -2.9111 | |
| 362 | E | A | 0.0000 | |
| 363 | L | A | 0.0000 | |
| 364 | L | A | -0.6255 | |
| 365 | R | A | -1.7344 | |
| 366 | Q | A | 0.0000 | |
| 367 | T | A | -1.2101 | |
| 368 | E | A | -2.1893 | |
| 369 | T | A | -1.8727 | |
| 370 | G | A | 0.0000 | |
| 371 | E | A | -1.3178 | |
| 372 | L | A | 0.0000 | |
| 373 | I | A | 0.0000 | |
| 374 | R | A | -1.0558 | |
| 375 | E | A | 0.0000 | |
| 376 | A | A | -0.6913 | |
| 377 | P | A | -0.9589 | |
| 378 | R | A | 0.0000 | |
| 379 | Y | A | -0.6443 | |
| 380 | R | A | -0.5652 | |
| 381 | P | A | -0.8071 | |
| 382 | G | A | 0.0000 | |
| 383 | G | A | -1.7524 | |
| 384 | Q | A | -1.4633 | |
| 385 | T | A | -1.0414 | |
| 386 | G | A | -1.0494 | |
| 387 | P | A | -1.1171 | |
| 388 | T | A | -1.5594 | |
| 389 | D | A | -2.1750 | |
| 390 | E | A | -1.5762 | |
| 391 | P | A | -1.0410 | |
| 392 | G | A | -1.0210 | |
| 393 | K | A | -1.2960 | |
| 394 | T | A | 0.0000 | |
| 395 | R | A | -1.7073 | |
| 396 | A | A | -1.4140 | |
| 397 | E | A | -1.9219 | |
| 398 | W | A | -1.5442 | |
| 399 | V | A | 0.0000 | |
| 400 | A | A | -1.3077 | |
| 401 | E | A | -1.1289 | |
| 402 | L | A | -1.6180 | |
| 403 | A | A | -1.7908 | |
| 404 | A | A | -1.2557 | |
| 405 | K | A | -2.0511 | |
| 406 | G | A | -1.7151 | |
| 407 | M | A | -1.9616 | |
| 408 | K | A | -2.7316 | |
| 409 | Q | A | -2.9094 | |
| 410 | G | A | -2.6085 | |
| 411 | A | A | -2.6055 | |
| 412 | A | A | 0.0000 | |
| 413 | R | A | -3.5667 | |
| 414 | E | A | -3.8341 | |
| 415 | R | A | -3.6725 | |
| 416 | V | A | 0.0000 | |
| 417 | D | A | -2.8820 | |
| 418 | N | A | -2.5399 | |
| 419 | A | A | -1.6582 | |
| 420 | I | A | -1.4025 | |
| 421 | K | A | -2.0205 | |
| 422 | T | A | -1.0671 | |
| 423 | G | A | -0.9265 | |
| 424 | G | A | 0.0000 | |
| 425 | L | A | 0.0000 | |
| 426 | V | A | -0.4330 | |
| 427 | P | A | -0.4411 | |
| 428 | I | A | -0.7944 | |
| 429 | E | A | -2.1601 | |
| 430 | P | A | -1.5851 | |
| 431 | R | A | -1.4684 | |
| 432 | Y | A | 0.0000 | |
| 433 | T | A | 0.0000 | |
| 434 | T | A | 0.0000 | |
| 435 | Q | A | -0.8808 | |
| 436 | T | A | -1.0565 | |
| 437 | A | A | 0.0000 | |
| 438 | L | A | 0.0000 | |
| 439 | E | A | -2.3719 | |
| 440 | R | A | -2.1698 | |
| 441 | E | A | 0.0000 | |
| 442 | K | A | -2.4680 | |
| 443 | R | A | -2.7385 | |
| 444 | I | A | 0.0000 | |
| 445 | L | A | -1.8731 | |
| 446 | Q | A | -2.5978 | |
| 447 | I | A | 0.0000 | |
| 448 | E | A | 0.0000 | |
| 449 | R | A | -3.4274 | |
| 450 | D | A | -3.3074 | |
| 451 | G | A | 0.0000 | |
| 452 | R | A | -2.1506 | |
| 453 | G | A | -1.8054 | |
| 454 | S | A | -1.6358 | |
| 455 | V | A | -1.3693 | |
| 456 | E | A | -1.9405 | |
| 457 | P | A | -0.9873 | |
| 458 | I | A | -0.9018 | |
| 459 | I | A | -1.0946 | |
| 460 | P | A | -1.2136 | |
| 461 | A | A | -1.8272 | |
| 462 | E | A | -3.1669 | |
| 463 | A | A | -2.5065 | |
| 464 | A | A | 0.0000 | |
| 465 | R | A | -4.1098 | |
| 466 | E | A | -3.8979 | |
| 467 | R | A | -3.2599 | |
| 468 | L | A | 0.0000 | |
| 469 | A | A | -2.1443 | |
| 470 | S | A | -1.6080 | |
| 471 | T | A | -1.5562 | |
| 472 | D | A | -2.1389 | |
| 473 | L | A | 0.0000 | |
| 474 | N | A | -1.8097 | |
| 475 | Q | A | -2.3217 | |
| 476 | G | A | -1.9423 | |
| 477 | Q | A | 0.0000 | |
| 478 | R | A | -2.2111 | |
| 479 | E | A | -2.1282 | |
| 480 | A | A | 0.0000 | |
| 481 | A | A | 0.0000 | |
| 482 | E | A | -1.4586 | |
| 483 | L | A | -0.2830 | |
| 484 | I | A | 0.0000 | |
| 485 | V | A | 0.0000 | |
| 486 | S | A | 0.0000 | |
| 487 | S | A | 0.0000 | |
| 488 | P | A | -1.1979 | |
| 489 | D | A | -1.6123 | |
| 490 | R | A | -1.4506 | |
| 491 | V | A | 0.0000 | |
| 492 | V | A | 0.0000 | |
| 493 | G | A | 0.0000 | |
| 494 | V | A | 0.0000 | |
| 495 | Q | A | -0.6991 | |
| 496 | G | A | 0.0000 | |
| 497 | A | A | 0.0000 | |
| 498 | T | A | 0.0000 | |
| 499 | G | A | -0.4375 | |
| 500 | T | A | 0.0000 | |
| 501 | G | A | -0.6105 | |
| 502 | K | A | -0.6006 | |
| 503 | S | A | -0.5046 | |
| 504 | H | A | -0.9421 | |
| 505 | M | A | 0.0000 | |
| 506 | L | A | 0.0000 | |
| 507 | D | A | -0.8392 | |
| 508 | T | A | -0.9890 | |
| 509 | A | A | 0.0000 | |
| 510 | K | A | 0.0000 | |
| 511 | Q | A | -2.0825 | |
| 512 | M | A | 0.0000 | |
| 513 | I | A | 0.0000 | |
| 514 | E | A | -2.6235 | |
| 515 | G | A | -2.2783 | |
| 516 | E | A | -2.7274 | |
| 517 | G | A | -1.8597 | |
| 518 | Y | A | -2.2006 | |
| 519 | H | A | -2.5308 | |
| 520 | V | A | 0.0000 | |
| 521 | R | A | -1.2333 | |
| 522 | A | A | 0.0000 | |
| 523 | L | A | 0.0000 | |
| 524 | A | A | 0.0000 | |
| 525 | P | A | 0.1357 | |
| 526 | Y | A | 0.1162 | |
| 527 | G | A | -0.7119 | |
| 528 | S | A | -0.8035 | |
| 529 | Q | A | -0.8415 | |
| 530 | V | A | 0.0000 | |
| 531 | K | A | -2.0404 | |
| 532 | A | A | -1.4158 | |
| 533 | L | A | 0.0000 | |
| 534 | R | A | -3.2100 | |
| 535 | E | A | -2.7960 | |
| 536 | L | A | -1.4464 | |
| 537 | G | A | -1.8633 | |
| 538 | I | A | 0.0000 | |
| 539 | E | A | -2.7998 | |
| 540 | A | A | 0.0000 | |
| 541 | N | A | -0.9170 | |
| 542 | T | A | -0.0896 | |
| 543 | L | A | 0.0000 | |
| 544 | A | A | -0.3616 | |
| 545 | S | A | -0.7488 | |
| 546 | F | A | 0.0000 | |
| 547 | L | A | -1.2750 | |
| 548 | R | A | -2.4463 | |
| 549 | A | A | -2.4322 | |
| 550 | K | A | -3.1972 | |
| 551 | E | A | -3.3285 | |
| 552 | K | A | -2.4454 | |
| 553 | N | A | -2.3457 | |
| 554 | I | A | -2.2330 | |
| 555 | D | A | -3.1249 | |
| 556 | K | A | -3.1732 | |
| 557 | K | A | -2.7019 | |
| 558 | T | A | 0.0000 | |
| 559 | V | A | 0.0000 | |
| 560 | L | A | 0.0000 | |
| 561 | V | A | 0.0000 | |
| 562 | I | A | 0.0000 | |
| 563 | D | A | 0.0000 | |
| 564 | E | A | -0.3170 | |
| 565 | A | A | 0.0000 | |
| 566 | G | A | -0.3698 | |
| 567 | V | A | 0.0000 | |
| 568 | V | A | 0.0000 | |
| 569 | P | A | 0.0000 | |
| 570 | T | A | 0.0000 | |
| 571 | R | A | -1.4015 | |
| 572 | L | A | -0.7214 | |
| 573 | M | A | 0.0000 | |
| 574 | E | A | -1.4918 | |
| 575 | Q | A | -1.1654 | |
| 576 | T | A | 0.0000 | |
| 577 | L | A | 0.0000 | |
| 578 | K | A | -1.6105 | |
| 579 | L | A | -1.2031 | |
| 580 | A | A | 0.0000 | |
| 581 | E | A | -2.3370 | |
| 582 | K | A | -2.5492 | |
| 583 | A | A | -2.3796 | |
| 584 | G | A | -2.2126 | |
| 585 | A | A | 0.0000 | |
| 586 | R | A | 0.0000 | |
| 587 | V | A | 0.0000 | |
| 588 | V | A | 0.0000 | |
| 589 | L | A | 0.0000 | |
| 590 | M | A | 0.0000 | |
| 591 | G | A | 0.0000 | |
| 592 | D | A | 0.0000 | |
| 593 | S | A | -0.4017 | |
| 594 | S | A | -0.3182 | |
| 595 | Q | A | 0.0000 | |
| 596 | T | A | 0.0000 | |
| 597 | K | A | 0.0710 | |
| 598 | A | A | 0.0000 | |
| 599 | I | A | 1.3381 | |
| 600 | E | A | -0.1557 | |
| 601 | A | A | 0.0000 | |
| 602 | G | A | 0.0000 | |
| 603 | D | A | 0.0000 | |
| 604 | P | A | 0.0000 | |
| 605 | F | A | 0.0000 | |
| 606 | D | A | -0.7866 | |
| 607 | Q | A | -0.5455 | |
| 608 | L | A | 0.0000 | |
| 609 | Q | A | -0.5973 | |
| 610 | A | A | -0.3681 | |
| 611 | A | A | -0.5354 | |
| 612 | G | A | -0.7868 | |
| 613 | L | A | 0.0000 | |
| 614 | P | A | -0.2955 | |
| 615 | T | A | -0.5132 | |
| 616 | A | A | 0.0000 | |
| 617 | H | A | -1.6114 | |
| 618 | M | A | 0.0000 | |
| 619 | T | A | -1.5106 | |
| 620 | E | A | -2.2130 | |
| 621 | I | A | 0.0000 | |
| 622 | L | A | -0.3278 | |
| 623 | R | A | -1.1638 | |
| 624 | Q | A | 0.0000 | |
| 625 | K | A | -3.0299 | |
| 626 | N | A | -2.7909 | |
| 627 | P | A | -2.2247 | |
| 628 | E | A | -3.3477 | |
| 629 | L | A | 0.0000 | |
| 630 | K | A | -2.4288 | |
| 631 | I | A | -1.1058 | |
| 632 | A | A | 0.0000 | |
| 633 | V | A | 0.0000 | |
| 634 | E | A | -2.1515 | |
| 635 | L | A | -1.2041 | |
| 636 | A | A | 0.0000 | |
| 637 | A | A | -0.8507 | |
| 638 | A | A | -0.8635 | |
| 639 | G | A | -1.4161 | |
| 640 | E | A | -1.9628 | |
| 641 | A | A | 0.0000 | |
| 642 | S | A | -1.2405 | |
| 643 | S | A | -1.3388 | |
| 644 | S | A | 0.0000 | |
| 645 | L | A | -1.6207 | |
| 646 | E | A | -2.8468 | |
| 647 | R | A | -2.8226 | |
| 648 | I | A | 0.0000 | |
| 649 | K | A | -2.8165 | |
| 650 | D | A | -1.7505 | |
| 651 | V | A | -1.2888 | |
| 652 | T | A | -1.1073 | |
| 653 | E | A | -1.7453 | |
| 654 | I | A | -1.5728 | |
| 655 | P | A | -1.6347 | |
| 656 | D | A | -2.0310 | |
| 657 | H | A | -1.4654 | |
| 658 | H | A | -1.5770 | |
| 659 | E | A | -2.3523 | |
| 660 | R | A | 0.0000 | |
| 661 | R | A | -1.2413 | |
| 662 | A | A | -1.4189 | |
| 663 | A | A | -1.1351 | |
| 664 | V | A | 0.0000 | |
| 665 | A | A | 0.0000 | |
| 666 | E | A | -1.6539 | |
| 667 | A | A | -0.8286 | |
| 668 | Y | A | 0.0000 | |
| 669 | I | A | -0.6112 | |
| 670 | A | A | -0.4063 | |
| 671 | L | A | -0.8804 | |
| 672 | S | A | -1.2512 | |
| 673 | P | A | -2.1586 | |
| 674 | D | A | -3.4756 | |
| 675 | E | A | -3.2185 | |
| 676 | R | A | -2.8753 | |
| 677 | D | A | -3.9000 | |
| 678 | R | A | -3.7683 | |
| 679 | T | A | 0.0000 | |
| 680 | L | A | 0.0000 | |
| 681 | I | A | 0.0000 | |
| 682 | V | A | 0.0000 | |
| 683 | S | A | 0.0000 | |
| 684 | G | A | -1.0345 | |
| 685 | T | A | -1.8196 | |
| 686 | N | A | -2.6278 | |
| 687 | E | A | -3.2762 | |
| 688 | A | A | 0.0000 | |
| 689 | R | A | -2.3722 | |
| 690 | R | A | -3.2587 | |
| 691 | E | A | -2.1626 | |
| 692 | I | A | 0.0000 | |
| 693 | N | A | 0.0000 | |
| 694 | Q | A | -2.0495 | |
| 695 | I | A | -1.4314 | |
| 696 | V | A | 0.0000 | |
| 697 | R | A | 0.0000 | |
| 698 | E | A | -2.0300 | |
| 699 | G | A | -1.4465 | |
| 700 | L | A | -0.6248 | |
| 701 | G | A | -0.9930 | |
| 702 | L | A | -0.8615 | |
| 703 | A | A | -1.4419 | |
| 704 | G | A | -1.6963 | |
| 705 | K | A | -1.7743 | |
| 706 | G | A | -0.9756 | |
| 707 | I | A | -1.0727 | |
| 708 | E | A | -2.8444 | |
| 709 | F | A | 0.0000 | |
| 710 | D | A | -3.4221 | |
| 711 | T | A | 0.0000 | |
| 712 | L | A | 0.0000 | |
| 713 | V | A | -0.8544 | |
| 714 | R | A | -1.4261 | |
| 715 | V | A | -1.1266 | |
| 716 | D | A | -1.9539 | |
| 717 | T | A | -1.3474 | |
| 718 | T | A | 0.0000 | |
| 719 | Q | A | -1.6043 | |
| 720 | A | A | 0.0000 | |
| 721 | E | A | -1.5506 | |
| 722 | R | A | -1.4187 | |
| 723 | R | A | -1.6047 | |
| 724 | Y | A | 0.0000 | |
| 725 | S | A | 0.0000 | |
| 726 | K | A | -1.4803 | |
| 727 | N | A | -1.7076 | |
| 728 | F | A | 0.0000 | |
| 729 | Q | A | -0.5021 | |
| 730 | V | A | 1.0802 | |
| 731 | G | A | 0.1467 | |
| 732 | H | A | 0.0000 | |
| 733 | V | A | 0.0000 | |
| 734 | I | A | 0.0000 | |
| 735 | Q | A | -1.1720 | |
| 736 | P | A | 0.0000 | |
| 737 | L | A | -1.1693 | |
| 738 | K | A | -2.7588 | |
| 739 | D | A | -3.5008 | |
| 740 | Y | A | 0.0000 | |
| 741 | P | A | -2.0867 | |
| 742 | E | A | -2.0259 | |
| 743 | V | A | -1.2744 | |
| 744 | G | A | -1.7337 | |
| 745 | L | A | 0.0000 | |
| 746 | K | A | -3.2598 | |
| 747 | K | A | -3.5826 | |
| 748 | G | A | -2.0728 | |
| 749 | K | A | -2.2065 | |
| 750 | L | A | 0.0000 | |
| 751 | Y | A | 0.0000 | |
| 752 | R | A | -0.7871 | |
| 753 | V | A | 0.0000 | |
| 754 | V | A | 0.1122 | |
| 755 | E | A | -0.5493 | |
| 756 | T | A | -0.5734 | |
| 757 | G | A | -0.8870 | |
| 758 | P | A | -0.8177 | |
| 759 | G | A | -1.0152 | |
| 760 | N | A | -1.1843 | |
| 761 | R | A | -1.4643 | |
| 762 | L | A | 0.0000 | |
| 763 | T | A | -0.9917 | |
| 764 | V | A | 0.0000 | |
| 765 | I | A | -1.2111 | |
| 766 | G | A | 0.0000 | |
| 767 | L | A | -0.6098 | |
| 768 | E | A | -1.2628 | |
| 769 | T | A | -1.1023 | |
| 770 | G | A | -1.2768 | |
| 771 | Q | A | -2.1181 | |
| 772 | R | A | -2.4931 | |
| 773 | I | A | -1.3615 | |
| 774 | Q | A | -1.5563 | |
| 775 | F | A | 0.0000 | |
| 776 | D | A | -1.3731 | |
| 777 | P | A | 0.0000 | |
| 778 | M | A | -0.8683 | |
| 779 | T | A | -0.4811 | |
| 780 | L | A | 0.0000 | |
| 781 | P | A | -0.9408 | |
| 782 | D | A | -1.3371 | |
| 783 | I | A | 0.0000 | |
| 784 | S | A | -0.5585 | |
| 785 | V | A | 0.0000 | |
| 786 | Y | A | 0.0000 | |
| 787 | Q | A | -1.0186 | |
| 788 | P | A | -1.5486 | |
| 789 | E | A | -2.1548 | |
| 790 | R | A | -3.2385 | |
| 791 | A | A | -2.1566 | |
| 792 | E | A | -1.9399 | |
| 793 | L | A | 0.0000 | |
| 794 | A | A | 0.0000 | |
| 795 | V | A | 1.7536 | |
| 796 | G | A | 0.8551 | |
| 797 | D | A | 0.0000 | |
| 798 | T | A | -0.4463 | |
| 799 | I | A | 0.0000 | |
| 800 | R | A | -0.8942 | |
| 801 | I | A | 0.0000 | |
| 802 | T | A | -0.9220 | |
| 803 | R | A | -1.2301 | |
| 804 | N | A | -1.7833 | |
| 805 | N | A | -1.8375 | |
| 806 | P | A | -2.0632 | |
| 807 | E | A | -2.4950 | |
| 808 | L | A | -1.9348 | |
| 809 | D | A | -2.5599 | |
| 810 | L | A | 0.0000 | |
| 811 | A | A | 0.0000 | |
| 812 | N | A | -1.3302 | |
| 813 | G | A | -0.9493 | |
| 814 | D | A | -1.2494 | |
| 815 | R | A | -1.3718 | |
| 816 | M | A | 0.0000 | |
| 817 | K | A | -1.0965 | |
| 818 | V | A | 0.0000 | |
| 819 | V | A | 0.9268 | |
| 820 | A | A | 0.2284 | |
| 821 | V | A | -0.5120 | |
| 822 | E | A | -1.9093 | |
| 823 | P | A | -2.1797 | |
| 824 | D | A | -3.3317 | |
| 825 | K | A | -2.7581 | |
| 826 | V | A | 0.0000 | |
| 827 | T | A | -0.9779 | |
| 828 | V | A | 0.0000 | |
| 829 | T | A | -2.2980 | |
| 830 | D | A | -2.9891 | |
| 831 | G | A | -2.5602 | |
| 832 | K | A | -2.9667 | |
| 833 | R | A | -2.6472 | |
| 834 | N | A | -2.6975 | |
| 835 | V | A | 0.0000 | |
| 836 | E | A | -2.3494 | |
| 837 | L | A | 0.0000 | |
| 838 | P | A | -2.3191 | |
| 839 | T | A | -2.8554 | |
| 840 | D | A | -3.1717 | |
| 841 | K | A | -2.3671 | |
| 842 | P | A | -1.7114 | |
| 843 | L | A | 0.0000 | |
| 844 | F | A | -0.5783 | |
| 845 | V | A | 0.0000 | |
| 846 | D | A | -0.8513 | |
| 847 | H | A | -1.0025 | |
| 848 | A | A | 0.0000 | |
| 849 | Y | A | 0.0000 | |
| 850 | A | A | 0.0000 | |
| 851 | T | A | 0.0000 | |
| 852 | T | A | -0.9780 | |
| 853 | V | A | 0.0000 | |
| 854 | H | A | -0.5457 | |
| 855 | S | A | -0.5309 | |
| 856 | S | A | 0.0000 | |
| 857 | Q | A | -0.4213 | |
| 858 | G | A | -0.4917 | |
| 859 | L | A | -0.0901 | |
| 860 | T | A | -0.5561 | |
| 861 | A | A | 0.0000 | |
| 862 | D | A | -2.4912 | |
| 863 | R | A | -2.0041 | |
| 864 | V | A | 0.0000 | |
| 865 | L | A | 0.0000 | |
| 866 | I | A | 0.0000 | |
| 867 | D | A | 0.0000 | |
| 868 | A | A | 0.0000 | |
| 869 | H | A | -1.5851 | |
| 870 | A | A | 0.0000 | |
| 871 | E | A | -2.6757 | |
| 872 | S | A | -1.9309 | |
| 873 | R | A | -2.4933 | |
| 874 | T | A | -1.4990 | |
| 875 | T | A | 0.0000 | |
| 876 | A | A | 0.0000 | |
| 877 | K | A | -1.5902 | |
| 878 | D | A | 0.0000 | |
| 879 | V | A | 0.0000 | |
| 880 | Y | A | 0.0000 | |
| 881 | Y | A | 0.0000 | |
| 882 | V | A | 0.0000 | |
| 883 | A | A | 0.0000 | |
| 884 | I | A | 0.0000 | |
| 885 | S | A | 0.0000 | |
| 886 | R | A | 0.0000 | |
| 887 | A | A | 0.0000 | |
| 888 | R | A | -2.5828 | |
| 889 | E | A | -3.2854 | |
| 890 | E | A | -2.3194 | |
| 891 | A | A | 0.0000 | |
| 892 | R | A | -1.0719 | |
| 893 | V | A | 0.0000 | |
| 894 | F | A | 0.0000 | |
| 895 | T | A | 0.0000 | |
| 896 | N | A | -1.9803 | |
| 897 | D | A | -2.1303 | |
| 898 | K | A | -2.0494 | |
| 899 | A | A | -1.4957 | |
| 900 | K | A | -2.3720 | |
| 901 | L | A | 0.0000 | |
| 902 | P | A | -1.3365 | |
| 903 | A | A | -1.0294 | |
| 904 | A | A | 0.0000 | |
| 905 | I | A | 0.0000 | |
| 906 | A | A | -1.3761 | |
| 907 | R | A | -1.8570 | |
| 908 | E | A | -1.8979 | |
| 909 | N | A | -0.9398 | |
| 910 | I | A | 0.7398 | |
| 911 | K | A | -0.1957 | |
| 912 | E | A | -1.1376 | |
| 913 | R | A | -1.3544 | |
| 914 | A | A | 0.0000 | |
| 915 | H | A | -1.9145 | |
| 916 | D | A | -2.2236 | |
| 917 | L | A | 0.0000 | |
| 918 | P | A | -0.8290 | |
| 919 | L | A | -0.8326 | |
| 920 | D | A | -1.4640 | |
| 921 | P | A | -1.4358 | |
| 922 | D | A | -2.1357 | |
| 923 | A | A | -1.4992 | |
| 924 | A | A | -1.4051 | |
| 925 | S | A | -1.5163 | |
| 926 | A | A | -1.7737 | |
| 927 | A | A | 0.0000 | |
| 928 | A | A | -2.3834 | |
| 929 | E | A | -3.6679 | |
| 930 | R | A | -4.1287 | |
| 931 | Q | A | -4.1264 | |
| 932 | R | A | -4.6785 | |
| 933 | E | A | -5.5159 | |
| 934 | Q | A | -5.2470 | |
| 935 | Q | A | -5.2574 | |
| 936 | R | A | -5.9031 | |
| 937 | E | A | -5.9769 | |
| 938 | A | A | -4.9720 | |
| 939 | E | A | -5.9378 | |
| 940 | R | A | -5.7901 | |
| 941 | N | A | -4.9476 | |
| 942 | R | A | -4.8764 | |
| 943 | Q | A | -4.1268 | |
| 944 | T | A | -2.8772 | |
| 945 | Q | A | -2.6759 | |
| 946 | I | A | -1.6220 | |
| 947 | P | A | -1.4866 | |
| 948 | A | A | -1.8320 | |
| 949 | H | A | -2.7139 | |
| 950 | D | A | -3.3432 | |
| 951 | R | A | -3.5430 | |
| 952 | Q | A | -3.9713 | |
| 953 | K | A | -4.5284 | |
| 954 | A | A | -3.5567 | |
| 955 | A | A | -3.6046 | |
| 956 | R | A | -4.7856 | |
| 957 | E | A | -4.6636 | |
| 958 | A | A | -3.3040 | |
| 959 | E | A | -4.3091 | |
| 960 | R | A | -4.0896 | |
| 961 | G | A | -2.5211 | |
| 962 | M | A | -1.8180 | |
| 963 | E | A | -2.9421 | |
| 964 | A | A | -1.2319 | |
| 965 | L | A | 0.0299 | |
| 966 | R | A | -1.5538 |
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 | -0.9899 | 4.3376 | View | CSV | PDB |
| 4.5 | -1.0773 | 4.3085 | View | CSV | PDB |
| 5.0 | -1.1878 | 4.2753 | View | CSV | PDB |
| 5.5 | -1.3034 | 4.2529 | View | CSV | PDB |
| 6.0 | -1.4042 | 4.2529 | View | CSV | PDB |
| 6.5 | -1.4736 | 4.2529 | View | CSV | PDB |
| 7.0 | -1.5062 | 4.2529 | View | CSV | PDB |
| 7.5 | -1.5097 | 4.2529 | View | CSV | PDB |
| 8.0 | -1.4953 | 4.2529 | View | CSV | PDB |
| 8.5 | -1.4686 | 4.2529 | View | CSV | PDB |
| 9.0 | -1.4309 | 4.2529 | 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