| Chain sequence(s) |
A: MGSSHHHHHHSSGLVPRGSHMEFKRSMKIVLVLYDAGKHAADEEKLYGCTENKLGIANWLKDQGHELITTSDKEGGNSVLDQHIPDADIIITTPFHPAYITKERIDKAKKLKLVVVAGVGSDHIDLDYINQTGKKISVLEVTGSNVVSVAEHVLMTMLVLVRNFVPAHEQIINHDWEVAAIAKDAYDIEGKTIATIGAGRIGYRVLERLVPFNPKELLYYDYQALPKDAEEKVGARRVENIEELVAQADIVTINAPLHAGTKGLINKELLSKFKKGAWLVNTARGAICVAEDVAAALESGQLRGYGGDVWFPQPAPKDHPWRDMRNKYGAGNAMTPHYSGTTLDAQTRYAEGTKNILESFFTGKFDYRPQDIILLNGEYITKAYGKHDKKMAMRSDKHSTSSGANKEAKYERVEKIDVDKAGHTNLRDVREDRGGEDPALNFQDKRPAGLVPGAAVGMIPTQSSETEVRSASSLSSGRASDQYAGRTSSMSSHTSGSSTVGSHTHGSIRHDSASMDSGVASGGAGAYSYQRTEVTSTSGAGPRLGGLQRTVIVPPGPHSQIHEQTDIIRHKTATQSETHMIQVPVTTFGSTNMESVRTGYTVTEDKPLTIAAPVLAQPIHTRLDVQLGGGASAEIHAGTTVDLSAIQGQDLG
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 (00:00:01)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:01)
[INFO] PDB-Info: The input structure is partially or entirely disordered. Average 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 (00:09:07)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/be0e802d4ad8839/tmp/folded.pdb (00:09:07)
[INFO] Main: Simulation completed successfully. (00:12:20)
|
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 | 0.7229 | |
| 2 | G | A | -0.1352 | |
| 3 | S | A | -0.6653 | |
| 4 | S | A | -1.1536 | |
| 5 | H | A | -2.0476 | |
| 6 | H | A | -2.3939 | |
| 7 | H | A | -2.6131 | |
| 8 | H | A | -2.6029 | |
| 9 | H | A | -2.4139 | |
| 10 | H | A | -2.0758 | |
| 11 | S | A | -1.1168 | |
| 12 | S | A | -0.3121 | |
| 13 | G | A | 0.4565 | |
| 14 | L | A | 1.7551 | |
| 15 | V | A | 1.6931 | |
| 16 | P | A | -0.0839 | |
| 17 | R | A | -1.6841 | |
| 18 | G | A | -1.4079 | |
| 19 | S | A | -1.3541 | |
| 20 | H | A | -1.2347 | |
| 21 | M | A | -0.0477 | |
| 22 | E | A | -1.2926 | |
| 23 | F | A | 0.0944 | |
| 24 | K | A | -1.6248 | |
| 25 | R | A | -2.2544 | |
| 26 | S | A | -1.7226 | |
| 27 | M | A | -1.6305 | |
| 28 | K | A | -1.6570 | |
| 29 | I | A | 0.0000 | |
| 30 | V | A | 0.0000 | |
| 31 | L | A | 0.0000 | |
| 32 | V | A | 0.0000 | |
| 33 | L | A | 0.0000 | |
| 34 | Y | A | -1.0464 | |
| 35 | D | A | -2.5361 | |
| 36 | A | A | -2.1967 | |
| 37 | G | A | -2.4370 | |
| 38 | K | A | -3.0202 | |
| 39 | H | A | -3.1799 | |
| 40 | A | A | -2.8249 | |
| 41 | A | A | -2.3492 | |
| 42 | D | A | -3.2699 | |
| 43 | E | A | -2.8862 | |
| 44 | E | A | -3.1517 | |
| 45 | K | A | -2.4751 | |
| 46 | L | A | -1.6752 | |
| 47 | Y | A | -0.8053 | |
| 48 | G | A | 0.0000 | |
| 49 | C | A | 0.0000 | |
| 50 | T | A | -1.1132 | |
| 51 | E | A | -1.7320 | |
| 52 | N | A | -1.5794 | |
| 53 | K | A | -0.9236 | |
| 54 | L | A | 0.0000 | |
| 55 | G | A | -1.5531 | |
| 56 | I | A | 0.0000 | |
| 57 | A | A | -1.6821 | |
| 58 | N | A | -2.4448 | |
| 59 | W | A | -1.8479 | |
| 60 | L | A | 0.0000 | |
| 61 | K | A | -3.4875 | |
| 62 | D | A | -3.1202 | |
| 63 | Q | A | -2.6427 | |
| 64 | G | A | -2.4192 | |
| 65 | H | A | 0.0000 | |
| 66 | E | A | -2.0535 | |
| 67 | L | A | -1.0252 | |
| 68 | I | A | -0.0261 | |
| 69 | T | A | -0.2877 | |
| 70 | T | A | 0.0000 | |
| 71 | S | A | -1.1976 | |
| 72 | D | A | -1.9641 | |
| 73 | K | A | 0.0000 | |
| 74 | E | A | -2.6010 | |
| 75 | G | A | -2.0955 | |
| 76 | G | A | -1.8901 | |
| 77 | N | A | -2.3032 | |
| 78 | S | A | 0.0000 | |
| 79 | V | A | -0.9937 | |
| 80 | L | A | 0.0000 | |
| 81 | D | A | -1.7643 | |
| 82 | Q | A | -1.8360 | |
| 83 | H | A | -1.2688 | |
| 84 | I | A | 0.0000 | |
| 85 | P | A | -2.4258 | |
| 86 | D | A | -3.1094 | |
| 87 | A | A | 0.0000 | |
| 88 | D | A | -1.9321 | |
| 89 | I | A | 0.0000 | |
| 90 | I | A | 0.0000 | |
| 91 | I | A | 0.0000 | |
| 92 | T | A | 0.0000 | |
| 93 | T | A | 0.0000 | |
| 94 | P | A | 0.0000 | |
| 95 | F | A | 0.2859 | |
| 96 | H | A | -0.2737 | |
| 97 | P | A | 0.0000 | |
| 98 | A | A | 0.0000 | |
| 99 | Y | A | -0.3929 | |
| 100 | I | A | 0.0000 | |
| 101 | T | A | -1.4452 | |
| 102 | K | A | -2.5521 | |
| 103 | E | A | -2.8883 | |
| 104 | R | A | -2.1476 | |
| 105 | I | A | 0.0000 | |
| 106 | D | A | -2.2748 | |
| 107 | K | A | -2.4847 | |
| 108 | A | A | 0.0000 | |
| 109 | K | A | -3.2973 | |
| 110 | K | A | -3.1851 | |
| 111 | L | A | 0.0000 | |
| 112 | K | A | -2.0169 | |
| 113 | L | A | 0.0000 | |
| 114 | V | A | 0.0000 | |
| 115 | V | A | 0.0000 | |
| 116 | V | A | 0.0000 | |
| 117 | A | A | 0.0000 | |
| 118 | G | A | 0.0000 | |
| 119 | V | A | 0.2885 | |
| 120 | G | A | -0.0236 | |
| 121 | S | A | 0.0000 | |
| 122 | D | A | -0.5931 | |
| 123 | H | A | 0.0000 | |
| 124 | I | A | 0.0000 | |
| 125 | D | A | -1.5538 | |
| 126 | L | A | 0.0000 | |
| 127 | D | A | -1.9871 | |
| 128 | Y | A | -1.5128 | |
| 129 | I | A | 0.0000 | |
| 130 | N | A | -2.2873 | |
| 131 | Q | A | -1.8479 | |
| 132 | T | A | -1.3262 | |
| 133 | G | A | -1.9421 | |
| 134 | K | A | -2.2020 | |
| 135 | K | A | -2.7495 | |
| 136 | I | A | 0.0000 | |
| 137 | S | A | 0.0000 | |
| 138 | V | A | 0.0000 | |
| 139 | L | A | 0.0000 | |
| 140 | E | A | 0.0000 | |
| 141 | V | A | 0.0000 | |
| 142 | T | A | -0.3341 | |
| 143 | G | A | -0.0427 | |
| 144 | S | A | 0.0000 | |
| 145 | N | A | 0.0000 | |
| 146 | V | A | 0.2878 | |
| 147 | V | A | 0.3898 | |
| 148 | S | A | -0.1863 | |
| 149 | V | A | 0.0000 | |
| 150 | A | A | 0.0000 | |
| 151 | E | A | -1.0697 | |
| 152 | H | A | 0.0000 | |
| 153 | V | A | 0.0000 | |
| 154 | L | A | -0.0629 | |
| 155 | M | A | 0.3357 | |
| 156 | T | A | 0.0000 | |
| 157 | M | A | 0.0000 | |
| 158 | L | A | 0.1388 | |
| 159 | V | A | 0.6230 | |
| 160 | L | A | 0.0000 | |
| 161 | V | A | 0.0000 | |
| 162 | R | A | -1.1960 | |
| 163 | N | A | 0.0000 | |
| 164 | F | A | 1.1355 | |
| 165 | V | A | 0.5191 | |
| 166 | P | A | 0.3597 | |
| 167 | A | A | 0.4215 | |
| 168 | H | A | -0.2327 | |
| 169 | E | A | -1.1929 | |
| 170 | Q | A | -0.6662 | |
| 171 | I | A | 0.1226 | |
| 172 | I | A | 0.4418 | |
| 173 | N | A | -1.4021 | |
| 174 | H | A | -1.4178 | |
| 175 | D | A | -1.7192 | |
| 176 | W | A | 0.1413 | |
| 177 | E | A | 0.0638 | |
| 178 | V | A | 1.2097 | |
| 179 | A | A | 0.3326 | |
| 180 | A | A | 0.1660 | |
| 181 | I | A | 0.3277 | |
| 182 | A | A | -0.4308 | |
| 183 | K | A | -1.1419 | |
| 184 | D | A | 0.0000 | |
| 185 | A | A | -0.7776 | |
| 186 | Y | A | -1.1236 | |
| 187 | D | A | -2.0188 | |
| 188 | I | A | 0.0000 | |
| 189 | E | A | -2.6101 | |
| 190 | G | A | -2.3480 | |
| 191 | K | A | -1.8501 | |
| 192 | T | A | 0.0000 | |
| 193 | I | A | 0.0000 | |
| 194 | A | A | 0.0000 | |
| 195 | T | A | 0.0000 | |
| 196 | I | A | 0.0000 | |
| 197 | G | A | 0.0000 | |
| 198 | A | A | 0.0000 | |
| 199 | G | A | -0.6568 | |
| 200 | R | A | -0.3540 | |
| 201 | I | A | -0.1420 | |
| 202 | G | A | 0.0000 | |
| 203 | Y | A | 0.0000 | |
| 204 | R | A | -0.7050 | |
| 205 | V | A | 0.0000 | |
| 206 | L | A | 0.0000 | |
| 207 | E | A | -1.1148 | |
| 208 | R | A | -0.6562 | |
| 209 | L | A | 0.0000 | |
| 210 | V | A | -0.3861 | |
| 211 | P | A | -0.2852 | |
| 212 | F | A | -0.7064 | |
| 213 | N | A | -1.8844 | |
| 214 | P | A | -2.1351 | |
| 215 | K | A | -2.6083 | |
| 216 | E | A | -1.9392 | |
| 217 | L | A | 0.0000 | |
| 218 | L | A | 0.0000 | |
| 219 | Y | A | 0.0000 | |
| 220 | Y | A | -0.8478 | |
| 221 | D | A | -0.5050 | |
| 222 | Y | A | -0.2871 | |
| 223 | Q | A | -0.7489 | |
| 224 | A | A | -0.8088 | |
| 225 | L | A | 0.0000 | |
| 226 | P | A | -2.1880 | |
| 227 | K | A | -3.2585 | |
| 228 | D | A | -3.5249 | |
| 229 | A | A | 0.0000 | |
| 230 | E | A | -3.1722 | |
| 231 | E | A | -4.0267 | |
| 232 | K | A | -3.4491 | |
| 233 | V | A | 0.0000 | |
| 234 | G | A | -2.1263 | |
| 235 | A | A | 0.0000 | |
| 236 | R | A | -1.8850 | |
| 237 | R | A | -1.4555 | |
| 238 | V | A | 0.0000 | |
| 239 | E | A | -2.5562 | |
| 240 | N | A | -2.3079 | |
| 241 | I | A | -1.7733 | |
| 242 | E | A | -3.2195 | |
| 243 | E | A | -3.1973 | |
| 244 | L | A | 0.0000 | |
| 245 | V | A | 0.0000 | |
| 246 | A | A | -2.2729 | |
| 247 | Q | A | -1.7036 | |
| 248 | A | A | 0.0000 | |
| 249 | D | A | -1.1037 | |
| 250 | I | A | 0.0000 | |
| 251 | V | A | 0.0000 | |
| 252 | T | A | 0.0000 | |
| 253 | I | A | 0.0000 | |
| 254 | N | A | -0.2329 | |
| 255 | A | A | -0.1968 | |
| 256 | P | A | -0.5002 | |
| 257 | L | A | 0.0000 | |
| 258 | H | A | -1.0088 | |
| 259 | A | A | -0.9345 | |
| 260 | G | A | -1.1490 | |
| 261 | T | A | 0.0000 | |
| 262 | K | A | -1.7922 | |
| 263 | G | A | -0.9261 | |
| 264 | L | A | -0.7051 | |
| 265 | I | A | 0.0000 | |
| 266 | N | A | -1.8074 | |
| 267 | K | A | -2.8535 | |
| 268 | E | A | -3.1300 | |
| 269 | L | A | 0.0000 | |
| 270 | L | A | 0.0000 | |
| 271 | S | A | -2.5689 | |
| 272 | K | A | -3.3820 | |
| 273 | F | A | 0.0000 | |
| 274 | K | A | -2.3605 | |
| 275 | K | A | -2.6748 | |
| 276 | G | A | -1.4256 | |
| 277 | A | A | 0.0000 | |
| 278 | W | A | 0.0000 | |
| 279 | L | A | 0.0000 | |
| 280 | V | A | 0.0000 | |
| 281 | N | A | 0.0000 | |
| 282 | T | A | 0.0000 | |
| 283 | A | A | -0.0842 | |
| 284 | R | A | -0.4145 | |
| 285 | G | A | 0.0000 | |
| 286 | A | A | 0.0000 | |
| 287 | I | A | 0.0000 | |
| 288 | C | A | 0.0000 | |
| 289 | V | A | -0.5135 | |
| 290 | A | A | -0.7717 | |
| 291 | E | A | -2.0106 | |
| 292 | D | A | -1.9612 | |
| 293 | V | A | 0.0000 | |
| 294 | A | A | -1.6649 | |
| 295 | A | A | -1.5743 | |
| 296 | A | A | 0.0000 | |
| 297 | L | A | 0.0000 | |
| 298 | E | A | -2.6818 | |
| 299 | S | A | -1.8070 | |
| 300 | G | A | -1.6878 | |
| 301 | Q | A | -1.6991 | |
| 302 | L | A | 0.0000 | |
| 303 | R | A | -1.3411 | |
| 304 | G | A | 0.0000 | |
| 305 | Y | A | 0.0000 | |
| 306 | G | A | 0.0000 | |
| 307 | G | A | 0.0000 | |
| 308 | D | A | 0.0000 | |
| 309 | V | A | 0.0000 | |
| 310 | W | A | 0.0000 | |
| 311 | F | A | 0.5442 | |
| 312 | P | A | 0.1120 | |
| 313 | Q | A | 0.0000 | |
| 314 | P | A | -0.4641 | |
| 315 | A | A | -0.9542 | |
| 316 | P | A | -1.6832 | |
| 317 | K | A | -3.0402 | |
| 318 | D | A | -3.1550 | |
| 319 | H | A | 0.0000 | |
| 320 | P | A | -2.1603 | |
| 321 | W | A | 0.0000 | |
| 322 | R | A | -2.6695 | |
| 323 | D | A | -3.0019 | |
| 324 | M | A | 0.0000 | |
| 325 | R | A | -2.3690 | |
| 326 | N | A | 0.0000 | |
| 327 | K | A | -2.2050 | |
| 328 | Y | A | -0.7235 | |
| 329 | G | A | -1.2718 | |
| 330 | A | A | 0.0000 | |
| 331 | G | A | -0.5192 | |
| 332 | N | A | -0.7515 | |
| 333 | A | A | 0.2338 | |
| 334 | M | A | -0.3588 | |
| 335 | T | A | -0.0972 | |
| 336 | P | A | -0.0711 | |
| 337 | H | A | 0.1420 | |
| 338 | Y | A | 0.6813 | |
| 339 | S | A | 0.0000 | |
| 340 | G | A | 0.0000 | |
| 341 | T | A | 0.0996 | |
| 342 | T | A | -0.2608 | |
| 343 | L | A | -0.8742 | |
| 344 | D | A | -1.8176 | |
| 345 | A | A | 0.0000 | |
| 346 | Q | A | 0.0000 | |
| 347 | T | A | -1.3940 | |
| 348 | R | A | -1.5651 | |
| 349 | Y | A | 0.0000 | |
| 350 | A | A | 0.0000 | |
| 351 | E | A | -2.6124 | |
| 352 | G | A | -1.9794 | |
| 353 | T | A | 0.0000 | |
| 354 | K | A | -2.0404 | |
| 355 | N | A | -2.7086 | |
| 356 | I | A | 0.0000 | |
| 357 | L | A | 0.0000 | |
| 358 | E | A | -1.9670 | |
| 359 | S | A | -1.8723 | |
| 360 | F | A | 0.0000 | |
| 361 | F | A | 0.0000 | |
| 362 | T | A | -1.2748 | |
| 363 | G | A | -1.5112 | |
| 364 | K | A | -2.1826 | |
| 365 | F | A | -1.0745 | |
| 366 | D | A | -2.5867 | |
| 367 | Y | A | 0.0000 | |
| 368 | R | A | -2.1491 | |
| 369 | P | A | -1.4421 | |
| 370 | Q | A | -1.3130 | |
| 371 | D | A | 0.0000 | |
| 372 | I | A | 0.0000 | |
| 373 | I | A | 0.0000 | |
| 374 | L | A | 0.0000 | |
| 375 | L | A | -0.5735 | |
| 376 | N | A | -2.0834 | |
| 377 | G | A | 0.0000 | |
| 378 | E | A | -2.3027 | |
| 379 | Y | A | -1.2557 | |
| 380 | I | A | -0.2457 | |
| 381 | T | A | -1.0003 | |
| 382 | K | A | -2.2191 | |
| 383 | A | A | -1.1251 | |
| 384 | Y | A | 0.0000 | |
| 385 | G | A | -1.6763 | |
| 386 | K | A | -3.0052 | |
| 387 | H | A | -3.1370 | |
| 388 | D | A | -3.5859 | |
| 389 | K | A | -3.3231 | |
| 390 | K | A | -2.7055 | |
| 391 | M | A | -1.1537 | |
| 392 | A | A | -1.2378 | |
| 393 | M | A | -0.9971 | |
| 394 | R | A | -2.5224 | |
| 395 | S | A | -2.2067 | |
| 396 | D | A | -3.3179 | |
| 397 | K | A | -3.4603 | |
| 398 | H | A | -2.7507 | |
| 399 | S | A | -1.6475 | |
| 400 | T | A | -1.0129 | |
| 401 | S | A | -0.6116 | |
| 402 | S | A | -0.5707 | |
| 403 | G | A | -0.8426 | |
| 404 | A | A | -1.1935 | |
| 405 | N | A | -2.6577 | |
| 406 | K | A | -3.3874 | |
| 407 | E | A | -3.2053 | |
| 408 | A | A | -2.0502 | |
| 409 | K | A | -2.3533 | |
| 410 | Y | A | -0.8536 | |
| 411 | E | A | -2.2897 | |
| 412 | R | A | -2.5052 | |
| 413 | V | A | -0.4531 | |
| 414 | E | A | -2.2212 | |
| 415 | K | A | -1.7349 | |
| 416 | I | A | 0.2951 | |
| 417 | D | A | -1.2799 | |
| 418 | V | A | -0.2756 | |
| 419 | D | A | -2.2213 | |
| 420 | K | A | -2.5718 | |
| 421 | A | A | -1.5406 | |
| 422 | G | A | -1.6092 | |
| 423 | H | A | -1.6455 | |
| 424 | T | A | -1.0651 | |
| 425 | N | A | -1.5871 | |
| 426 | L | A | -0.1897 | |
| 427 | R | A | -2.1018 | |
| 428 | D | A | -2.3826 | |
| 429 | V | A | -0.9834 | |
| 430 | R | A | -3.3657 | |
| 431 | E | A | -3.9377 | |
| 432 | D | A | -4.0143 | |
| 433 | R | A | -4.1539 | |
| 434 | G | A | -2.9314 | |
| 435 | G | A | -2.3967 | |
| 436 | E | A | -2.6522 | |
| 437 | D | A | -1.9029 | |
| 438 | P | A | -1.1538 | |
| 439 | A | A | -0.5918 | |
| 440 | L | A | -0.9902 | |
| 441 | N | A | -1.7437 | |
| 442 | F | A | -0.7486 | |
| 443 | Q | A | -2.4732 | |
| 444 | D | A | -3.5519 | |
| 445 | K | A | -3.6890 | |
| 446 | R | A | -3.5120 | |
| 447 | P | A | -1.6882 | |
| 448 | A | A | -0.4100 | |
| 449 | G | A | 0.4346 | |
| 450 | L | A | 2.0449 | |
| 451 | V | A | 2.1865 | |
| 452 | P | A | 0.7487 | |
| 453 | G | A | 0.0485 | |
| 454 | A | A | 0.1893 | |
| 455 | A | A | 0.7076 | |
| 456 | V | A | 1.7807 | |
| 457 | G | A | 1.4461 | |
| 458 | M | A | 2.1247 | |
| 459 | I | A | 2.2902 | |
| 460 | P | A | 0.6356 | |
| 461 | T | A | -0.4619 | |
| 462 | Q | A | -1.4398 | |
| 463 | S | A | -1.3310 | |
| 464 | S | A | -1.4665 | |
| 465 | E | A | -2.4269 | |
| 466 | T | A | -1.4791 | |
| 467 | E | A | -1.8403 | |
| 468 | V | A | -0.0777 | |
| 469 | R | A | -1.5144 | |
| 470 | S | A | -0.7471 | |
| 471 | A | A | -0.6180 | |
| 472 | S | A | -0.0065 | |
| 473 | S | A | 0.4038 | |
| 474 | L | A | 1.2390 | |
| 475 | S | A | 0.3277 | |
| 476 | S | A | -0.5926 | |
| 477 | G | A | -1.4918 | |
| 478 | R | A | -2.1344 | |
| 479 | A | A | -1.4967 | |
| 480 | S | A | -1.8015 | |
| 481 | D | A | -2.1700 | |
| 482 | Q | A | -1.4361 | |
| 483 | Y | A | 0.2270 | |
| 484 | A | A | -0.1870 | |
| 485 | G | A | -1.0995 | |
| 486 | R | A | -2.1449 | |
| 487 | T | A | -1.2610 | |
| 488 | S | A | -0.5078 | |
| 489 | S | A | 0.1157 | |
| 490 | M | A | 0.7397 | |
| 491 | S | A | 0.0331 | |
| 492 | S | A | -0.5955 | |
| 493 | H | A | -1.2225 | |
| 494 | T | A | -0.8746 | |
| 495 | S | A | -0.7548 | |
| 496 | G | A | -0.7503 | |
| 497 | S | A | -0.6271 | |
| 498 | S | A | -0.0974 | |
| 499 | T | A | 0.6613 | |
| 500 | V | A | 1.4155 | |
| 501 | G | A | 0.0332 | |
| 502 | S | A | -0.5880 | |
| 503 | H | A | -1.4738 | |
| 504 | T | A | -1.1983 | |
| 505 | H | A | -1.5432 | |
| 506 | G | A | -0.6395 | |
| 507 | S | A | -0.1263 | |
| 508 | I | A | 0.7310 | |
| 509 | R | A | -1.8449 | |
| 510 | H | A | -2.5476 | |
| 511 | D | A | -2.8676 | |
| 512 | S | A | -1.4951 | |
| 513 | A | A | -0.2899 | |
| 514 | S | A | -0.1143 | |
| 515 | M | A | 0.0473 | |
| 516 | D | A | -1.5182 | |
| 517 | S | A | -0.7215 | |
| 518 | G | A | -0.0492 | |
| 519 | V | A | 1.4865 | |
| 520 | A | A | 0.6127 | |
| 521 | S | A | -0.1298 | |
| 522 | G | A | -0.7695 | |
| 523 | G | A | -0.8065 | |
| 524 | A | A | -0.3263 | |
| 525 | G | A | -0.2077 | |
| 526 | A | A | 0.5161 | |
| 527 | Y | A | 1.5152 | |
| 528 | S | A | 0.5407 | |
| 529 | Y | A | 0.0906 | |
| 530 | Q | A | -1.9541 | |
| 531 | R | A | -2.3592 | |
| 532 | T | A | -1.5770 | |
| 533 | E | A | -1.7576 | |
| 534 | V | A | 0.4603 | |
| 535 | T | A | -0.0425 | |
| 536 | S | A | -0.3615 | |
| 537 | T | A | -0.2124 | |
| 538 | S | A | -0.5831 | |
| 539 | G | A | -0.7052 | |
| 540 | A | A | -0.6839 | |
| 541 | G | A | -0.8900 | |
| 542 | P | A | -1.0434 | |
| 543 | R | A | -1.5076 | |
| 544 | L | A | 0.3655 | |
| 545 | G | A | -0.2257 | |
| 546 | G | A | -0.2799 | |
| 547 | L | A | 0.0531 | |
| 548 | Q | A | -1.6172 | |
| 549 | R | A | -1.4215 | |
| 550 | T | A | 0.4159 | |
| 551 | V | A | 2.6930 | |
| 552 | I | A | 3.4289 | |
| 553 | V | A | 2.9417 | |
| 554 | P | A | 1.0220 | |
| 555 | P | A | -0.1311 | |
| 556 | G | A | -0.7936 | |
| 557 | P | A | -1.1947 | |
| 558 | H | A | -1.6923 | |
| 559 | S | A | -0.8343 | |
| 560 | Q | A | -1.0654 | |
| 561 | I | A | 0.6217 | |
| 562 | H | A | -1.1294 | |
| 563 | E | A | -2.2613 | |
| 564 | Q | A | -1.7135 | |
| 565 | T | A | -0.6533 | |
| 566 | D | A | 0.1989 | |
| 567 | I | A | 1.1740 | |
| 568 | I | A | 0.0945 | |
| 569 | R | A | -2.3553 | |
| 570 | H | A | -2.9082 | |
| 571 | K | A | -3.0880 | |
| 572 | T | A | -1.7930 | |
| 573 | A | A | -0.6892 | |
| 574 | T | A | -0.8564 | |
| 575 | Q | A | -1.8730 | |
| 576 | S | A | -2.4237 | |
| 577 | E | A | -2.4148 | |
| 578 | T | A | -1.2031 | |
| 579 | H | A | -0.4058 | |
| 580 | M | A | 1.3407 | |
| 581 | I | A | 1.2526 | |
| 582 | Q | A | -0.3967 | |
| 583 | V | A | 0.3717 | |
| 584 | P | A | 0.2735 | |
| 585 | V | A | 1.5281 | |
| 586 | T | A | 1.1582 | |
| 587 | T | A | 1.1433 | |
| 588 | F | A | 1.7559 | |
| 589 | G | A | 0.1363 | |
| 590 | S | A | -0.3024 | |
| 591 | T | A | -0.6484 | |
| 592 | N | A | -1.3394 | |
| 593 | M | A | -0.4135 | |
| 594 | E | A | -1.4730 | |
| 595 | S | A | -0.5779 | |
| 596 | V | A | 0.3730 | |
| 597 | R | A | -1.2665 | |
| 598 | T | A | -0.4721 | |
| 599 | G | A | 0.0144 | |
| 600 | Y | A | 1.2741 | |
| 601 | T | A | 1.1161 | |
| 602 | V | A | 1.2189 | |
| 603 | T | A | -0.6706 | |
| 604 | E | A | -2.7293 | |
| 605 | D | A | -3.1246 | |
| 606 | K | A | -2.4884 | |
| 607 | P | A | -0.5249 | |
| 608 | L | A | 1.5761 | |
| 609 | T | A | 1.3905 | |
| 610 | I | A | 2.3603 | |
| 611 | A | A | 1.3432 | |
| 612 | A | A | 1.1200 | |
| 613 | P | A | 1.3030 | |
| 614 | V | A | 2.2550 | |
| 615 | L | A | 2.2768 | |
| 616 | A | A | 0.8487 | |
| 617 | Q | A | -0.2633 | |
| 618 | P | A | 0.3420 | |
| 619 | I | A | 1.0868 | |
| 620 | H | A | -0.7955 | |
| 621 | T | A | -0.8985 | |
| 622 | R | A | -2.2021 | |
| 623 | L | A | -1.2127 | |
| 624 | D | A | -2.2987 | |
| 625 | V | A | -1.0753 | |
| 626 | Q | A | -1.3745 | |
| 627 | L | A | -0.0154 | |
| 628 | G | A | -0.3883 | |
| 629 | G | A | -0.9570 | |
| 630 | G | A | -0.8647 | |
| 631 | A | A | -0.4464 | |
| 632 | S | A | -1.2161 | |
| 633 | A | A | -0.9723 | |
| 634 | E | A | -2.5417 | |
| 635 | I | A | -1.1246 | |
| 636 | H | A | -1.7152 | |
| 637 | A | A | -0.6295 | |
| 638 | G | A | -0.5906 | |
| 639 | T | A | -0.3291 | |
| 640 | T | A | 0.0514 | |
| 641 | V | A | 0.6132 | |
| 642 | D | A | -0.2737 | |
| 643 | L | A | 1.3244 | |
| 644 | S | A | 0.5125 | |
| 645 | A | A | 0.7507 | |
| 646 | I | A | 1.2703 | |
| 647 | Q | A | -0.7516 | |
| 648 | G | A | -1.3468 | |
| 649 | Q | A | -1.9208 | |
| 650 | D | A | -2.0444 | |
| 651 | L | A | 0.0403 | |
| 652 | G | A | -0.3953 |
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 partially or entirely disordered. Average score is recommended for pH analysis.
pH |
Average A4D Score |
Max A4D Score |
|||
| 4.0 | -0.7398 | 4.5969 | View | CSV | PDB |
| 4.5 | -0.8197 | 4.5969 | View | CSV | PDB |
| 5.0 | -0.9151 | 4.5969 | View | CSV | PDB |
| 5.5 | -1.0067 | 4.5969 | View | CSV | PDB |
| 6.0 | -1.0745 | 4.5969 | View | CSV | PDB |
| 6.5 | -1.1076 | 4.5969 | View | CSV | PDB |
| 7.0 | -1.1107 | 4.5969 | View | CSV | PDB |
| 7.5 | -1.097 | 4.5969 | View | CSV | PDB |
| 8.0 | -1.0741 | 4.5969 | View | CSV | PDB |
| 8.5 | -1.0423 | 4.5969 | View | CSV | PDB |
| 9.0 | -0.9994 | 4.5969 | 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