| Chain sequence(s) |
A: MDKHNGGLFEDEFVIPQPSTSTSPIDAIQAVLPATVDSFPYVLKVEALHRRDYILWVEKNLAGGWTEKNLTPLLADAALVLPPPTPNWRTLARWRKIYIQHGRKLVSLIPKHQAKGNARSRLPPSDELFFEQAVHRYLVGEQPSIASAFQLYSDSIRIENLGVVENPIKTISYMAFYNRIKKLPAYQVMKSRKGSYIADVEFKAIASHKPPSRIMERVEIDHTPLDLLLLDDDLLVPLGRPSLTLLIDAYSHCVVGFNLNFNQPSYESVRNALLSSISKKDYVKNKYPSIEHEWPCYGKPETLVVDNGVEFWSASLAQSCLELGINIQYNPVRKPWLKPMIERMFGIINRKLLEPIPGKTFSNIQEKGDYDPQKDAVMRFSTFLEIFHHWVIDVYHYEPDSRYRYIPIISWQHGNKDAPPAPIIGDDLTKLEVILSLSLHCTHRRGGIQRYHLRYDSDELASYRMNYPDQTRGKRKVLVKLNPRDISYVYVFLEDLGSYIRVPCIDPIGYTKGLSLQEHQINVKLHRDFINEQMDVVSLSKARIYLNDRIKNELIEVRRNIRQRNVKGVNKIAKYRNVGSHAETSIVHELNHPATNEVISKMESASQPEHCDDWDNFTSGLEPY
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 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 (00:08:49)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/113fd71a212beee/tmp/folded.pdb (00:08:49)
[INFO] Main: Simulation completed successfully. (00:11:22)
|
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 | -0.2134 | |
| 2 | D | A | -2.4521 | |
| 3 | K | A | -3.1978 | |
| 4 | H | A | -3.0581 | |
| 5 | N | A | -2.5317 | |
| 6 | G | A | -1.2713 | |
| 7 | G | A | -0.1359 | |
| 8 | L | A | 1.2046 | |
| 9 | F | A | 0.8396 | |
| 10 | E | A | -1.3727 | |
| 11 | D | A | -1.7465 | |
| 12 | E | A | -1.2087 | |
| 13 | F | A | 1.6963 | |
| 14 | V | A | 2.3572 | |
| 15 | I | A | 2.7524 | |
| 16 | P | A | 0.8240 | |
| 17 | Q | A | -0.6599 | |
| 18 | P | A | -0.7957 | |
| 19 | S | A | -0.8391 | |
| 20 | T | A | -0.6418 | |
| 21 | S | A | -0.4990 | |
| 22 | T | A | -0.0136 | |
| 23 | S | A | -0.1226 | |
| 24 | P | A | 0.0846 | |
| 25 | I | A | 1.2485 | |
| 26 | D | A | -0.4251 | |
| 27 | A | A | 0.1007 | |
| 28 | I | A | 1.4334 | |
| 29 | Q | A | 0.3008 | |
| 30 | A | A | 1.4198 | |
| 31 | V | A | 2.4810 | |
| 32 | L | A | 2.1471 | |
| 33 | P | A | 0.9950 | |
| 34 | A | A | 0.2989 | |
| 35 | T | A | -0.3997 | |
| 36 | V | A | -0.5688 | |
| 37 | D | A | -1.5485 | |
| 38 | S | A | -0.7869 | |
| 39 | F | A | 0.1663 | |
| 40 | P | A | 0.8025 | |
| 41 | Y | A | 1.8381 | |
| 42 | V | A | 2.4084 | |
| 43 | L | A | 0.8481 | |
| 44 | K | A | 0.7163 | |
| 45 | V | A | 1.3269 | |
| 46 | E | A | 0.0475 | |
| 47 | A | A | 0.0000 | |
| 48 | L | A | 0.0963 | |
| 49 | H | A | 0.0000 | |
| 50 | R | A | -0.4652 | |
| 51 | R | A | -0.7050 | |
| 52 | D | A | -0.4086 | |
| 53 | Y | A | 0.0000 | |
| 54 | I | A | 0.0000 | |
| 55 | L | A | 0.1459 | |
| 56 | W | A | -0.2055 | |
| 57 | V | A | 0.0000 | |
| 58 | E | A | -1.3434 | |
| 59 | K | A | -1.8561 | |
| 60 | N | A | -1.3182 | |
| 61 | L | A | -0.9260 | |
| 62 | A | A | -0.6497 | |
| 63 | G | A | -0.9514 | |
| 64 | G | A | -1.0360 | |
| 65 | W | A | -1.1284 | |
| 66 | T | A | -1.7715 | |
| 67 | E | A | -2.8511 | |
| 68 | K | A | -2.7278 | |
| 69 | N | A | -1.8332 | |
| 70 | L | A | 0.0000 | |
| 71 | T | A | -1.3824 | |
| 72 | P | A | -1.1192 | |
| 73 | L | A | -0.8347 | |
| 74 | L | A | 0.0000 | |
| 75 | A | A | -0.1065 | |
| 76 | D | A | -0.4664 | |
| 77 | A | A | 0.0000 | |
| 78 | A | A | 0.8333 | |
| 79 | L | A | 1.9830 | |
| 80 | V | A | 2.2946 | |
| 81 | L | A | 1.0332 | |
| 82 | P | A | 0.2717 | |
| 83 | P | A | -0.0527 | |
| 84 | P | A | -0.5347 | |
| 85 | T | A | -0.2490 | |
| 86 | P | A | -0.7900 | |
| 87 | N | A | -1.7025 | |
| 88 | W | A | -1.8773 | |
| 89 | R | A | -2.7567 | |
| 90 | T | A | -2.0093 | |
| 91 | L | A | 0.0000 | |
| 92 | A | A | -2.2174 | |
| 93 | R | A | -2.9125 | |
| 94 | W | A | -1.6763 | |
| 95 | R | A | -2.1022 | |
| 96 | K | A | -2.5751 | |
| 97 | I | A | -1.6796 | |
| 98 | Y | A | 0.0000 | |
| 99 | I | A | -1.5244 | |
| 100 | Q | A | -2.1214 | |
| 101 | H | A | -2.1799 | |
| 102 | G | A | -2.1233 | |
| 103 | R | A | -3.0912 | |
| 104 | K | A | -2.5863 | |
| 105 | L | A | -0.9521 | |
| 106 | V | A | -0.5641 | |
| 107 | S | A | -0.8960 | |
| 108 | L | A | 0.0000 | |
| 109 | I | A | 0.0000 | |
| 110 | P | A | 0.0000 | |
| 111 | K | A | -2.7854 | |
| 112 | H | A | -2.8248 | |
| 113 | Q | A | -2.7485 | |
| 114 | A | A | -2.4737 | |
| 115 | K | A | -3.2308 | |
| 116 | G | A | -2.4531 | |
| 117 | N | A | -2.8052 | |
| 118 | A | A | -2.1129 | |
| 119 | R | A | -2.8656 | |
| 120 | S | A | -2.3203 | |
| 121 | R | A | -2.5359 | |
| 122 | L | A | -1.5230 | |
| 123 | P | A | -0.8397 | |
| 124 | P | A | -0.6674 | |
| 125 | S | A | -0.3699 | |
| 126 | D | A | 0.0000 | |
| 127 | E | A | -1.2462 | |
| 128 | L | A | 0.1072 | |
| 129 | F | A | -0.4709 | |
| 130 | F | A | 0.0000 | |
| 131 | E | A | -2.2027 | |
| 132 | Q | A | -1.9622 | |
| 133 | A | A | 0.0000 | |
| 134 | V | A | 0.0000 | |
| 135 | H | A | -2.3533 | |
| 136 | R | A | -2.8442 | |
| 137 | Y | A | 0.0000 | |
| 138 | L | A | -1.5863 | |
| 139 | V | A | -1.7542 | |
| 140 | G | A | -2.3605 | |
| 141 | E | A | -2.8990 | |
| 142 | Q | A | -2.4225 | |
| 143 | P | A | -1.3957 | |
| 144 | S | A | -0.6818 | |
| 145 | I | A | -0.2478 | |
| 146 | A | A | 0.0720 | |
| 147 | S | A | -0.5050 | |
| 148 | A | A | 0.0000 | |
| 149 | F | A | -0.0913 | |
| 150 | Q | A | -0.9213 | |
| 151 | L | A | -0.8764 | |
| 152 | Y | A | 0.0000 | |
| 153 | S | A | 0.0000 | |
| 154 | D | A | -1.0124 | |
| 155 | S | A | -0.6565 | |
| 156 | I | A | 0.0000 | |
| 157 | R | A | -1.3584 | |
| 158 | I | A | 0.7801 | |
| 159 | E | A | -0.4872 | |
| 160 | N | A | -0.4060 | |
| 161 | L | A | 1.4470 | |
| 162 | G | A | 0.4884 | |
| 163 | V | A | 0.7118 | |
| 164 | V | A | 0.9487 | |
| 165 | E | A | -1.4931 | |
| 166 | N | A | -1.9409 | |
| 167 | P | A | -1.4976 | |
| 168 | I | A | -1.6861 | |
| 169 | K | A | -2.0764 | |
| 170 | T | A | -0.9859 | |
| 171 | I | A | 0.1098 | |
| 172 | S | A | 0.3827 | |
| 173 | Y | A | 0.8973 | |
| 174 | M | A | 1.1530 | |
| 175 | A | A | 0.3947 | |
| 176 | F | A | 0.0000 | |
| 177 | Y | A | -0.2340 | |
| 178 | N | A | -1.5757 | |
| 179 | R | A | -1.5850 | |
| 180 | I | A | 0.0000 | |
| 181 | K | A | -2.7587 | |
| 182 | K | A | -2.7478 | |
| 183 | L | A | -1.5109 | |
| 184 | P | A | -1.0094 | |
| 185 | A | A | -0.7944 | |
| 186 | Y | A | -0.7172 | |
| 187 | Q | A | -1.3426 | |
| 188 | V | A | -0.9660 | |
| 189 | M | A | -1.2524 | |
| 190 | K | A | -1.6685 | |
| 191 | S | A | -1.6779 | |
| 192 | R | A | -2.1028 | |
| 193 | K | A | -2.4796 | |
| 194 | G | A | -1.3785 | |
| 195 | S | A | -0.8920 | |
| 196 | Y | A | -0.6680 | |
| 197 | I | A | -0.3938 | |
| 198 | A | A | 0.0000 | |
| 199 | D | A | -0.7988 | |
| 200 | V | A | -0.3167 | |
| 201 | E | A | -1.1320 | |
| 202 | F | A | -0.3145 | |
| 203 | K | A | -1.0468 | |
| 204 | A | A | 0.1916 | |
| 205 | I | A | 1.6102 | |
| 206 | A | A | 0.4711 | |
| 207 | S | A | -0.3839 | |
| 208 | H | A | -1.2378 | |
| 209 | K | A | -2.1781 | |
| 210 | P | A | -1.4356 | |
| 211 | P | A | -1.0193 | |
| 212 | S | A | -1.1042 | |
| 213 | R | A | -1.7194 | |
| 214 | I | A | 0.0000 | |
| 215 | M | A | 0.0000 | |
| 216 | E | A | -1.3004 | |
| 217 | R | A | -1.0707 | |
| 218 | V | A | 0.0000 | |
| 219 | E | A | 0.0000 | |
| 220 | I | A | 0.0000 | |
| 221 | D | A | -0.9396 | |
| 222 | H | A | -0.9288 | |
| 223 | T | A | -0.7825 | |
| 224 | P | A | -0.7126 | |
| 225 | L | A | 0.0000 | |
| 226 | D | A | -0.8277 | |
| 227 | L | A | 0.0000 | |
| 228 | L | A | -0.6670 | |
| 229 | L | A | 0.0000 | |
| 230 | L | A | 0.0000 | |
| 231 | D | A | -0.4478 | |
| 232 | D | A | -2.0666 | |
| 233 | D | A | -1.5492 | |
| 234 | L | A | 1.0069 | |
| 235 | L | A | 1.5587 | |
| 236 | V | A | 1.3318 | |
| 237 | P | A | 0.1789 | |
| 238 | L | A | 0.5218 | |
| 239 | G | A | -0.3192 | |
| 240 | R | A | -0.9847 | |
| 241 | P | A | 0.0000 | |
| 242 | S | A | 0.0000 | |
| 243 | L | A | 0.0000 | |
| 244 | T | A | 0.0000 | |
| 245 | L | A | 0.0000 | |
| 246 | L | A | 0.0000 | |
| 247 | I | A | 0.0000 | |
| 248 | D | A | 0.0000 | |
| 249 | A | A | 0.0000 | |
| 250 | Y | A | -0.1144 | |
| 251 | S | A | 0.0000 | |
| 252 | H | A | 0.0564 | |
| 253 | C | A | 0.0000 | |
| 254 | V | A | 0.0000 | |
| 255 | V | A | 0.0000 | |
| 256 | G | A | 0.0000 | |
| 257 | F | A | 0.0434 | |
| 258 | N | A | -0.2129 | |
| 259 | L | A | 0.0000 | |
| 260 | N | A | -0.4702 | |
| 261 | F | A | -0.2158 | |
| 262 | N | A | -0.9679 | |
| 263 | Q | A | -1.5100 | |
| 264 | P | A | -0.7710 | |
| 265 | S | A | -0.4768 | |
| 266 | Y | A | 0.0000 | |
| 267 | E | A | -0.9140 | |
| 268 | S | A | 0.0000 | |
| 269 | V | A | 0.0000 | |
| 270 | R | A | 0.0000 | |
| 271 | N | A | -0.4087 | |
| 272 | A | A | 0.0000 | |
| 273 | L | A | 0.0000 | |
| 274 | L | A | -0.0268 | |
| 275 | S | A | -0.2079 | |
| 276 | S | A | 0.0000 | |
| 277 | I | A | 0.0000 | |
| 278 | S | A | -0.6798 | |
| 279 | K | A | -1.7577 | |
| 280 | K | A | 0.0000 | |
| 281 | D | A | -2.9145 | |
| 282 | Y | A | -1.5044 | |
| 283 | V | A | 0.0000 | |
| 284 | K | A | -3.2538 | |
| 285 | N | A | -2.7962 | |
| 286 | K | A | -2.8448 | |
| 287 | Y | A | 0.0000 | |
| 288 | P | A | -1.8863 | |
| 289 | S | A | -1.5401 | |
| 290 | I | A | 0.0000 | |
| 291 | E | A | -2.7964 | |
| 292 | H | A | -2.3458 | |
| 293 | E | A | -2.9335 | |
| 294 | W | A | 0.0000 | |
| 295 | P | A | -1.2364 | |
| 296 | C | A | 0.0000 | |
| 297 | Y | A | -0.3334 | |
| 298 | G | A | 0.0000 | |
| 299 | K | A | -0.7166 | |
| 300 | P | A | 0.0000 | |
| 301 | E | A | -1.7082 | |
| 302 | T | A | -1.5006 | |
| 303 | L | A | 0.0000 | |
| 304 | V | A | 0.0000 | |
| 305 | V | A | 0.0000 | |
| 306 | D | A | -1.1027 | |
| 307 | N | A | -0.3871 | |
| 308 | G | A | 0.5094 | |
| 309 | V | A | 1.7046 | |
| 310 | E | A | 0.5089 | |
| 311 | F | A | 0.0000 | |
| 312 | W | A | 1.4978 | |
| 313 | S | A | 0.7057 | |
| 314 | A | A | 0.0521 | |
| 315 | S | A | 0.0000 | |
| 316 | L | A | 0.0000 | |
| 317 | A | A | -0.2489 | |
| 318 | Q | A | -1.0547 | |
| 319 | S | A | 0.0000 | |
| 320 | C | A | 0.0000 | |
| 321 | L | A | -0.1258 | |
| 322 | E | A | -1.5815 | |
| 323 | L | A | 0.0000 | |
| 324 | G | A | -1.1814 | |
| 325 | I | A | 0.0000 | |
| 326 | N | A | -1.6836 | |
| 327 | I | A | -0.7920 | |
| 328 | Q | A | -1.2844 | |
| 329 | Y | A | -0.4045 | |
| 330 | N | A | 0.0000 | |
| 331 | P | A | -0.3074 | |
| 332 | V | A | 0.1826 | |
| 333 | R | A | -1.4296 | |
| 334 | K | A | -1.1148 | |
| 335 | P | A | -0.8197 | |
| 336 | W | A | 0.3208 | |
| 337 | L | A | -0.1755 | |
| 338 | K | A | 0.0000 | |
| 339 | P | A | -0.7661 | |
| 340 | M | A | 0.0000 | |
| 341 | I | A | 0.0000 | |
| 342 | E | A | -2.4311 | |
| 343 | R | A | -2.1474 | |
| 344 | M | A | 0.0000 | |
| 345 | F | A | 0.0000 | |
| 346 | G | A | -1.7240 | |
| 347 | I | A | -1.6017 | |
| 348 | I | A | 0.0000 | |
| 349 | N | A | -2.4391 | |
| 350 | R | A | -3.4035 | |
| 351 | K | A | -3.0752 | |
| 352 | L | A | 0.0000 | |
| 353 | L | A | 0.0000 | |
| 354 | E | A | -3.2084 | |
| 355 | P | A | -1.8071 | |
| 356 | I | A | 0.0000 | |
| 357 | P | A | -0.5881 | |
| 358 | G | A | 0.0000 | |
| 359 | K | A | -1.2510 | |
| 360 | T | A | -0.5559 | |
| 361 | F | A | -0.4187 | |
| 362 | S | A | -0.5622 | |
| 363 | N | A | -0.7910 | |
| 364 | I | A | 0.3648 | |
| 365 | Q | A | -1.7773 | |
| 366 | E | A | -2.4700 | |
| 367 | K | A | -1.8429 | |
| 368 | G | A | -2.0154 | |
| 369 | D | A | -2.4235 | |
| 370 | Y | A | -1.8305 | |
| 371 | D | A | -2.0236 | |
| 372 | P | A | 0.0000 | |
| 373 | Q | A | -2.0814 | |
| 374 | K | A | -2.5814 | |
| 375 | D | A | -1.8184 | |
| 376 | A | A | 0.0000 | |
| 377 | V | A | 1.0584 | |
| 378 | M | A | 0.1276 | |
| 379 | R | A | -1.1117 | |
| 380 | F | A | -0.5494 | |
| 381 | S | A | -0.9114 | |
| 382 | T | A | -0.7559 | |
| 383 | F | A | 0.0000 | |
| 384 | L | A | -0.2378 | |
| 385 | E | A | -0.9252 | |
| 386 | I | A | -0.0022 | |
| 387 | F | A | 0.0000 | |
| 388 | H | A | 0.0000 | |
| 389 | H | A | -0.7511 | |
| 390 | W | A | 0.0000 | |
| 391 | V | A | 0.0000 | |
| 392 | I | A | 0.0000 | |
| 393 | D | A | -0.7940 | |
| 394 | V | A | 0.2174 | |
| 395 | Y | A | -0.1041 | |
| 396 | H | A | 0.0000 | |
| 397 | Y | A | 0.3267 | |
| 398 | E | A | -0.8386 | |
| 399 | P | A | -0.6318 | |
| 400 | D | A | -1.1047 | |
| 401 | S | A | -1.3187 | |
| 402 | R | A | -1.9492 | |
| 403 | Y | A | -0.6927 | |
| 404 | R | A | -1.6851 | |
| 405 | Y | A | -0.3978 | |
| 406 | I | A | 0.5180 | |
| 407 | P | A | 0.0000 | |
| 408 | I | A | 0.0000 | |
| 409 | I | A | 0.9590 | |
| 410 | S | A | -0.0812 | |
| 411 | W | A | 0.0000 | |
| 412 | Q | A | -1.7071 | |
| 413 | H | A | -2.3007 | |
| 414 | G | A | 0.0000 | |
| 415 | N | A | -2.5252 | |
| 416 | K | A | -3.4641 | |
| 417 | D | A | -3.3278 | |
| 418 | A | A | -2.0551 | |
| 419 | P | A | -1.6285 | |
| 420 | P | A | -0.9675 | |
| 421 | A | A | -0.0588 | |
| 422 | P | A | -0.0424 | |
| 423 | I | A | -0.0125 | |
| 424 | I | A | 0.9297 | |
| 425 | G | A | -0.8245 | |
| 426 | D | A | -2.4464 | |
| 427 | D | A | -2.1246 | |
| 428 | L | A | -0.7841 | |
| 429 | T | A | -1.4877 | |
| 430 | K | A | -2.4150 | |
| 431 | L | A | 0.0000 | |
| 432 | E | A | -0.7266 | |
| 433 | V | A | -0.3282 | |
| 434 | I | A | -0.5843 | |
| 435 | L | A | 0.0000 | |
| 436 | S | A | 0.0000 | |
| 437 | L | A | 0.3026 | |
| 438 | S | A | -0.0628 | |
| 439 | L | A | -0.4909 | |
| 440 | H | A | -1.3526 | |
| 441 | C | A | 0.0000 | |
| 442 | T | A | -2.4505 | |
| 443 | H | A | 0.0000 | |
| 444 | R | A | -3.8133 | |
| 445 | R | A | -2.8876 | |
| 446 | G | A | -1.8935 | |
| 447 | G | A | 0.0000 | |
| 448 | I | A | 0.0000 | |
| 449 | Q | A | -2.5806 | |
| 450 | R | A | -1.9613 | |
| 451 | Y | A | -0.9972 | |
| 452 | H | A | -1.6883 | |
| 453 | L | A | 0.0000 | |
| 454 | R | A | -1.9815 | |
| 455 | Y | A | 0.0000 | |
| 456 | D | A | -1.8792 | |
| 457 | S | A | -1.8133 | |
| 458 | D | A | -2.8255 | |
| 459 | E | A | -2.9178 | |
| 460 | L | A | 0.0000 | |
| 461 | A | A | -1.8848 | |
| 462 | S | A | -1.2543 | |
| 463 | Y | A | 0.0000 | |
| 464 | R | A | -1.3579 | |
| 465 | M | A | -0.0092 | |
| 466 | N | A | -0.8154 | |
| 467 | Y | A | -0.7190 | |
| 468 | P | A | -1.0265 | |
| 469 | D | A | -2.1189 | |
| 470 | Q | A | -2.2222 | |
| 471 | T | A | -2.4667 | |
| 472 | R | A | -3.0893 | |
| 473 | G | A | -3.2427 | |
| 474 | K | A | -3.4296 | |
| 475 | R | A | -3.0895 | |
| 476 | K | A | -2.7530 | |
| 477 | V | A | 0.0000 | |
| 478 | L | A | -0.4521 | |
| 479 | V | A | 0.0000 | |
| 480 | K | A | 0.0000 | |
| 481 | L | A | 0.0000 | |
| 482 | N | A | 0.0000 | |
| 483 | P | A | 0.0000 | |
| 484 | R | A | -2.3026 | |
| 485 | D | A | -1.7299 | |
| 486 | I | A | 0.0000 | |
| 487 | S | A | 0.0000 | |
| 488 | Y | A | 0.0000 | |
| 489 | V | A | 0.0000 | |
| 490 | Y | A | -0.1663 | |
| 491 | V | A | 0.0000 | |
| 492 | F | A | -0.1926 | |
| 493 | L | A | 0.0000 | |
| 494 | E | A | -2.3617 | |
| 495 | D | A | -2.2501 | |
| 496 | L | A | -0.5284 | |
| 497 | G | A | -1.0416 | |
| 498 | S | A | -0.2038 | |
| 499 | Y | A | 0.2226 | |
| 500 | I | A | -0.4907 | |
| 501 | R | A | -1.7541 | |
| 502 | V | A | 0.0000 | |
| 503 | P | A | -0.6068 | |
| 504 | C | A | -0.6917 | |
| 505 | I | A | 0.4323 | |
| 506 | D | A | 0.1374 | |
| 507 | P | A | 0.7540 | |
| 508 | I | A | 1.6856 | |
| 509 | G | A | 0.3376 | |
| 510 | Y | A | 0.4025 | |
| 511 | T | A | 0.0000 | |
| 512 | K | A | -1.6900 | |
| 513 | G | A | -1.7116 | |
| 514 | L | A | -1.3426 | |
| 515 | S | A | -1.6513 | |
| 516 | L | A | -1.0371 | |
| 517 | Q | A | -1.3627 | |
| 518 | E | A | -1.7043 | |
| 519 | H | A | 0.0000 | |
| 520 | Q | A | -1.0647 | |
| 521 | I | A | -0.6827 | |
| 522 | N | A | -1.2396 | |
| 523 | V | A | -1.4120 | |
| 524 | K | A | -1.5505 | |
| 525 | L | A | -1.2452 | |
| 526 | H | A | -2.0702 | |
| 527 | R | A | -2.8640 | |
| 528 | D | A | -2.6472 | |
| 529 | F | A | -1.3657 | |
| 530 | I | A | -1.2959 | |
| 531 | N | A | -2.6427 | |
| 532 | E | A | -3.0226 | |
| 533 | Q | A | -2.2967 | |
| 534 | M | A | -1.0814 | |
| 535 | D | A | -1.2312 | |
| 536 | V | A | 0.2137 | |
| 537 | V | A | 1.0645 | |
| 538 | S | A | 0.2404 | |
| 539 | L | A | 0.4286 | |
| 540 | S | A | 0.4313 | |
| 541 | K | A | -0.0056 | |
| 542 | A | A | 0.0541 | |
| 543 | R | A | -0.9419 | |
| 544 | I | A | 0.7500 | |
| 545 | Y | A | 0.5645 | |
| 546 | L | A | -0.5282 | |
| 547 | N | A | -1.8572 | |
| 548 | D | A | -2.6192 | |
| 549 | R | A | -2.6291 | |
| 550 | I | A | -1.4798 | |
| 551 | K | A | -2.7630 | |
| 552 | N | A | -3.1210 | |
| 553 | E | A | -3.2310 | |
| 554 | L | A | -1.5288 | |
| 555 | I | A | -1.3438 | |
| 556 | E | A | -2.5759 | |
| 557 | V | A | -1.3632 | |
| 558 | R | A | -2.3731 | |
| 559 | R | A | -2.9397 | |
| 560 | N | A | -2.0508 | |
| 561 | I | A | -0.9366 | |
| 562 | R | A | -2.8488 | |
| 563 | Q | A | -2.6286 | |
| 564 | R | A | -2.9201 | |
| 565 | N | A | -2.2516 | |
| 566 | V | A | -0.4210 | |
| 567 | K | A | -1.6881 | |
| 568 | G | A | -1.3397 | |
| 569 | V | A | -0.4657 | |
| 570 | N | A | -1.9932 | |
| 571 | K | A | -2.4548 | |
| 572 | I | A | -0.8906 | |
| 573 | A | A | -1.2914 | |
| 574 | K | A | -2.4520 | |
| 575 | Y | A | -0.9010 | |
| 576 | R | A | -2.2076 | |
| 577 | N | A | -2.6480 | |
| 578 | V | A | -1.4523 | |
| 579 | G | A | -1.6748 | |
| 580 | S | A | -1.2851 | |
| 581 | H | A | -1.6760 | |
| 582 | A | A | -1.8440 | |
| 583 | E | A | -2.3058 | |
| 584 | T | A | -1.3821 | |
| 585 | S | A | -0.3495 | |
| 586 | I | A | 0.3315 | |
| 587 | V | A | 0.9646 | |
| 588 | H | A | -0.7211 | |
| 589 | E | A | -1.5173 | |
| 590 | L | A | -0.3429 | |
| 591 | N | A | -1.5989 | |
| 592 | H | A | -1.6325 | |
| 593 | P | A | -0.9990 | |
| 594 | A | A | -0.5867 | |
| 595 | T | A | -1.1144 | |
| 596 | N | A | -1.8309 | |
| 597 | E | A | -1.1336 | |
| 598 | V | A | 1.5346 | |
| 599 | I | A | 2.0908 | |
| 600 | S | A | 0.4290 | |
| 601 | K | A | -1.3327 | |
| 602 | M | A | -0.5482 | |
| 603 | E | A | -1.5457 | |
| 604 | S | A | -0.6616 | |
| 605 | A | A | -0.5955 | |
| 606 | S | A | -1.3168 | |
| 607 | Q | A | -2.0063 | |
| 608 | P | A | -1.9235 | |
| 609 | E | A | -2.7727 | |
| 610 | H | A | -2.6612 | |
| 611 | C | A | -2.1308 | |
| 612 | D | A | -3.2285 | |
| 613 | D | A | -2.9892 | |
| 614 | W | A | -1.7622 | |
| 615 | D | A | -2.8935 | |
| 616 | N | A | -2.0961 | |
| 617 | F | A | -0.0898 | |
| 618 | T | A | 0.0000 | |
| 619 | S | A | -0.7634 | |
| 620 | G | A | -0.6196 | |
| 621 | L | A | 0.2085 | |
| 622 | E | A | -1.2471 | |
| 623 | P | A | -0.4936 | |
| 624 | Y | A | 0.7887 |
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 | -0.7052 | 5.6608 | View | CSV | PDB |
| 4.5 | -0.7816 | 5.637 | View | CSV | PDB |
| 5.0 | -0.8735 | 5.5958 | View | CSV | PDB |
| 5.5 | -0.9633 | 5.5423 | View | CSV | PDB |
| 6.0 | -1.0328 | 5.4854 | View | CSV | PDB |
| 6.5 | -1.0706 | 5.4339 | View | CSV | PDB |
| 7.0 | -1.0774 | 5.3964 | View | CSV | PDB |
| 7.5 | -1.0623 | 5.3762 | View | CSV | PDB |
| 8.0 | -1.0336 | 5.3679 | View | CSV | PDB |
| 8.5 | -0.9937 | 5.365 | View | CSV | PDB |
| 9.0 | -0.9419 | 5.364 | 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