| Chain sequence(s) |
A: MRQLQKKIKNGTLNIKQDDPFELFIAATNIRYCYYNETHKILGNTFGMCVLQDFEALTPNLLARTVETVEGGGLVVILLRTMNSLKQLYTVTMDVHSRYRTEAHQDVVGRFNERFILSLASCKKCLVIDDQLNILPISSHVATMEALPPQTPDESLGPSDLELRELKESLQDTQPVGVLVDCCKTLDQAKAVLKFIEGISEKTLRSTVALTAARGRGKSAALGLAIAGAVAFGYSNIFVTSPSPDNLHTLFEFVFKGFDALQYQEHLDYEIIQSLNPEFNKAVIRVNVFREHRQTIQYIHPADAVKLGQAELVVIDEAAAIPLPLVKSLLGPYLVFMASTINGYEGTGRSLSLKLIQQLRQQSAQSQVSTTAENKTTTTARLASARTLYEVSLQESIRYAPGDAVEKWLNDLLCLDCLNITRIVSGCPLPEACELYYVNRDTLFCYHKASEVFLQRLMALYVASHYKNSPNDLQMLSDAPAHHLFCLLPPVPPTQNALPEVLAVIQVCLEGEISRQSILNSLSRGKKASGDLIPWTVSEQFQDPDFGGLSGGRVVRIAVHPDYQGMGYGSRALQLLQMYYEGRFPCLEEKVLETPQEIHTVSSEAVSLLEEVITPRKDLPPLLLKLNERPAERLDYLGVSYGLTPRLLKFWKRAGFVPVYLRQTPNDLTGEHSCIMLKTLTDEDEADQGGWLAAFWKDFRRRFLALLSYQFSTFSPSLALNIIQNRNMGKPAQPALSREELEALFLPYDLKRLEMYSRNMVDYHLIMDMIPAISRIYFLNQLGDLALSAAQSALLLGIGLQHKSVDQLEKEIELPSGQLMGLFNRIIRKVVKLFNEVQEKAIEEQMVAAKDVVMEPTMKTLSDDLDEAAKEFQEKHKKEVGKLKSMDLSEYIIRGDDEEWNEVLNKAGPNASIISLKSDKKRKLEAKQEPKQSKKLKNRETKNKKDMKLKRKK
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 partially or entirely disordered. Average score is
recommended for pH analysis. (00:00:07)
[INFO] FoldX: Starting FoldX energy minimization (00:00:07)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:21:33)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/82fcf284f13a0aa/tmp/folded.pdb (00:21:33)
[INFO] Main: Simulation completed successfully. (00:34:52)
|
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 | -0.6783 | |
| 2 | R | A | -2.5986 | |
| 3 | Q | A | -2.7972 | |
| 4 | L | A | -2.1625 | |
| 5 | Q | A | -2.9266 | |
| 6 | K | A | -3.9396 | |
| 7 | K | A | -3.0888 | |
| 8 | I | A | -1.9301 | |
| 9 | K | A | -3.3546 | |
| 10 | N | A | -2.9489 | |
| 11 | G | A | -1.7874 | |
| 12 | T | A | -1.1810 | |
| 13 | L | A | -1.6220 | |
| 14 | N | A | -1.4097 | |
| 15 | I | A | 0.0496 | |
| 16 | K | A | -2.3032 | |
| 17 | Q | A | -3.0514 | |
| 18 | D | A | -2.7657 | |
| 19 | D | A | -2.2484 | |
| 20 | P | A | -0.0384 | |
| 21 | F | A | 1.6989 | |
| 22 | E | A | 0.5677 | |
| 23 | L | A | 1.5993 | |
| 24 | F | A | 2.2512 | |
| 25 | I | A | 1.9260 | |
| 26 | A | A | 1.4389 | |
| 27 | A | A | 0.9892 | |
| 28 | T | A | 0.2155 | |
| 29 | N | A | -0.8202 | |
| 30 | I | A | 0.3362 | |
| 31 | R | A | -0.6252 | |
| 32 | Y | A | 1.1797 | |
| 33 | C | A | 0.7419 | |
| 34 | Y | A | 1.0615 | |
| 35 | Y | A | 0.1429 | |
| 36 | N | A | -1.2703 | |
| 37 | E | A | -1.1126 | |
| 38 | T | A | 0.0000 | |
| 39 | H | A | -1.3934 | |
| 40 | K | A | -1.5381 | |
| 41 | I | A | 0.0000 | |
| 42 | L | A | -0.9607 | |
| 43 | G | A | -1.2037 | |
| 44 | N | A | -1.1010 | |
| 45 | T | A | -0.6441 | |
| 46 | F | A | -0.1574 | |
| 47 | G | A | -0.1945 | |
| 48 | M | A | 1.4265 | |
| 49 | C | A | 1.3597 | |
| 50 | V | A | 1.9539 | |
| 51 | L | A | 0.0000 | |
| 52 | Q | A | -1.0560 | |
| 53 | D | A | -1.4729 | |
| 54 | F | A | 0.0000 | |
| 55 | E | A | -1.9941 | |
| 56 | A | A | -1.4049 | |
| 57 | L | A | 0.0000 | |
| 58 | T | A | -0.4875 | |
| 59 | P | A | 0.0000 | |
| 60 | N | A | -0.5454 | |
| 61 | L | A | 0.0000 | |
| 62 | L | A | 0.0000 | |
| 63 | A | A | 0.0000 | |
| 64 | R | A | -0.5303 | |
| 65 | T | A | 0.0000 | |
| 66 | V | A | 0.0000 | |
| 67 | E | A | -0.6403 | |
| 68 | T | A | 0.0000 | |
| 69 | V | A | 0.0000 | |
| 70 | E | A | -1.4112 | |
| 71 | G | A | -1.3039 | |
| 72 | G | A | -0.8368 | |
| 73 | G | A | -0.1620 | |
| 74 | L | A | 1.6888 | |
| 75 | V | A | 1.8591 | |
| 76 | V | A | 2.0306 | |
| 77 | I | A | 1.3692 | |
| 78 | L | A | 0.7343 | |
| 79 | L | A | -0.1546 | |
| 80 | R | A | -1.7997 | |
| 81 | T | A | -1.1802 | |
| 82 | M | A | -0.9356 | |
| 83 | N | A | -1.4982 | |
| 84 | S | A | -0.7530 | |
| 85 | L | A | -0.0943 | |
| 86 | K | A | -0.5722 | |
| 87 | Q | A | -0.8922 | |
| 88 | L | A | 0.0000 | |
| 89 | Y | A | -0.1036 | |
| 90 | T | A | -0.1112 | |
| 91 | V | A | -0.3193 | |
| 92 | T | A | -0.5184 | |
| 93 | M | A | 0.0000 | |
| 94 | D | A | -2.4112 | |
| 95 | V | A | 0.0000 | |
| 96 | H | A | 0.0000 | |
| 97 | S | A | -2.0409 | |
| 98 | R | A | -2.5790 | |
| 99 | Y | A | 0.0000 | |
| 100 | R | A | -2.6324 | |
| 101 | T | A | -2.0722 | |
| 102 | E | A | -1.7316 | |
| 103 | A | A | -1.5900 | |
| 104 | H | A | -1.9920 | |
| 105 | Q | A | -2.6576 | |
| 106 | D | A | -2.5788 | |
| 107 | V | A | -1.1220 | |
| 108 | V | A | -0.0827 | |
| 109 | G | A | -0.1194 | |
| 110 | R | A | -0.1979 | |
| 111 | F | A | 0.0000 | |
| 112 | N | A | 0.0000 | |
| 113 | E | A | 0.0000 | |
| 114 | R | A | 0.0000 | |
| 115 | F | A | 0.0000 | |
| 116 | I | A | 0.0000 | |
| 117 | L | A | 0.0000 | |
| 118 | S | A | 0.0000 | |
| 119 | L | A | 0.0998 | |
| 120 | A | A | 0.0498 | |
| 121 | S | A | -0.5646 | |
| 122 | C | A | 0.0000 | |
| 123 | K | A | -1.9859 | |
| 124 | K | A | -1.9336 | |
| 125 | C | A | -0.2848 | |
| 126 | L | A | 1.0011 | |
| 127 | V | A | 1.5710 | |
| 128 | I | A | 0.8645 | |
| 129 | D | A | -0.6625 | |
| 130 | D | A | -2.0944 | |
| 131 | Q | A | -1.5698 | |
| 132 | L | A | 0.2340 | |
| 133 | N | A | -0.3511 | |
| 134 | I | A | 1.2342 | |
| 135 | L | A | 0.0000 | |
| 136 | P | A | 0.5715 | |
| 137 | I | A | 1.0546 | |
| 138 | S | A | 0.0858 | |
| 139 | S | A | -0.4159 | |
| 140 | H | A | -0.7142 | |
| 141 | V | A | -0.0699 | |
| 142 | A | A | 0.0661 | |
| 143 | T | A | -0.2791 | |
| 144 | M | A | -0.0891 | |
| 145 | E | A | -0.9125 | |
| 146 | A | A | 0.0753 | |
| 147 | L | A | 0.9299 | |
| 148 | P | A | -0.0802 | |
| 149 | P | A | -0.4864 | |
| 150 | Q | A | -1.7298 | |
| 151 | T | A | -1.8312 | |
| 152 | P | A | -1.9298 | |
| 153 | D | A | -2.9035 | |
| 154 | E | A | -3.0020 | |
| 155 | S | A | -1.9523 | |
| 156 | L | A | -1.0067 | |
| 157 | G | A | -0.8416 | |
| 158 | P | A | -0.7133 | |
| 159 | S | A | -1.1292 | |
| 160 | D | A | -1.5379 | |
| 161 | L | A | -1.1951 | |
| 162 | E | A | -2.5264 | |
| 163 | L | A | -2.7091 | |
| 164 | R | A | -3.1895 | |
| 165 | E | A | -3.4235 | |
| 166 | L | A | -2.6242 | |
| 167 | K | A | -3.0253 | |
| 168 | E | A | -3.8993 | |
| 169 | S | A | -2.3313 | |
| 170 | L | A | -2.1966 | |
| 171 | Q | A | -3.0178 | |
| 172 | D | A | -2.8825 | |
| 173 | T | A | -1.6470 | |
| 174 | Q | A | -1.6746 | |
| 175 | P | A | -0.6487 | |
| 176 | V | A | -0.6922 | |
| 177 | G | A | -1.6109 | |
| 178 | V | A | -0.5093 | |
| 179 | L | A | 0.0000 | |
| 180 | V | A | 0.0000 | |
| 181 | D | A | -2.3337 | |
| 182 | C | A | -1.0683 | |
| 183 | C | A | 0.0000 | |
| 184 | K | A | -2.0153 | |
| 185 | T | A | 0.0000 | |
| 186 | L | A | -1.4199 | |
| 187 | D | A | -1.3330 | |
| 188 | Q | A | 0.0000 | |
| 189 | A | A | 0.0000 | |
| 190 | K | A | -1.4810 | |
| 191 | A | A | 0.0000 | |
| 192 | V | A | 0.0000 | |
| 193 | L | A | -1.2254 | |
| 194 | K | A | -1.9911 | |
| 195 | F | A | 0.0000 | |
| 196 | I | A | 0.0000 | |
| 197 | E | A | -2.7671 | |
| 198 | G | A | 0.0000 | |
| 199 | I | A | 0.0000 | |
| 200 | S | A | -1.9912 | |
| 201 | E | A | -2.7337 | |
| 202 | K | A | -2.6043 | |
| 203 | T | A | -1.3787 | |
| 204 | L | A | -0.6663 | |
| 205 | R | A | -1.0434 | |
| 206 | S | A | 0.0000 | |
| 207 | T | A | 0.0000 | |
| 208 | V | A | 0.0000 | |
| 209 | A | A | 0.0000 | |
| 210 | L | A | 0.0000 | |
| 211 | T | A | -0.3538 | |
| 212 | A | A | 0.0000 | |
| 213 | A | A | -0.4481 | |
| 214 | R | A | -0.5788 | |
| 215 | G | A | -0.6317 | |
| 216 | R | A | 0.0000 | |
| 217 | G | A | -0.4924 | |
| 218 | K | A | 0.0000 | |
| 219 | S | A | -0.4357 | |
| 220 | A | A | 0.0000 | |
| 221 | A | A | 0.0000 | |
| 222 | L | A | 0.0000 | |
| 223 | G | A | 0.0000 | |
| 224 | L | A | 0.0000 | |
| 225 | A | A | 0.0000 | |
| 226 | I | A | 0.0000 | |
| 227 | A | A | 0.0000 | |
| 228 | G | A | 0.0000 | |
| 229 | A | A | 0.0000 | |
| 230 | V | A | 0.0000 | |
| 231 | A | A | -0.1431 | |
| 232 | F | A | 0.3989 | |
| 233 | G | A | -0.7115 | |
| 234 | Y | A | -0.6520 | |
| 235 | S | A | -1.1062 | |
| 236 | N | A | -1.1491 | |
| 237 | I | A | 0.0000 | |
| 238 | F | A | 0.0000 | |
| 239 | V | A | 0.0000 | |
| 240 | T | A | 0.0000 | |
| 241 | S | A | 0.0000 | |
| 242 | P | A | -0.4384 | |
| 243 | S | A | -0.5324 | |
| 244 | P | A | 0.0000 | |
| 245 | D | A | -1.8448 | |
| 246 | N | A | -1.3916 | |
| 247 | L | A | 0.0000 | |
| 248 | H | A | -1.7163 | |
| 249 | T | A | -1.2594 | |
| 250 | L | A | 0.0000 | |
| 251 | F | A | 0.0000 | |
| 252 | E | A | -1.8765 | |
| 253 | F | A | -0.9013 | |
| 254 | V | A | 0.0000 | |
| 255 | F | A | -1.1916 | |
| 256 | K | A | -1.5828 | |
| 257 | G | A | 0.0000 | |
| 258 | F | A | 0.0000 | |
| 259 | D | A | -2.6190 | |
| 260 | A | A | -1.2880 | |
| 261 | L | A | -1.0919 | |
| 262 | Q | A | -2.1887 | |
| 263 | Y | A | -1.7784 | |
| 264 | Q | A | -2.2586 | |
| 265 | E | A | -1.9302 | |
| 266 | H | A | -1.1788 | |
| 267 | L | A | 0.0987 | |
| 268 | D | A | -1.4283 | |
| 269 | Y | A | 0.0000 | |
| 270 | E | A | -1.1609 | |
| 271 | I | A | -0.1921 | |
| 272 | I | A | 0.1878 | |
| 273 | Q | A | -1.0420 | |
| 274 | S | A | -0.8091 | |
| 275 | L | A | 0.3804 | |
| 276 | N | A | -1.0169 | |
| 277 | P | A | -1.5813 | |
| 278 | E | A | -2.3615 | |
| 279 | F | A | -1.7933 | |
| 280 | N | A | -2.5848 | |
| 281 | K | A | -2.5190 | |
| 282 | A | A | 0.0000 | |
| 283 | V | A | -0.5155 | |
| 284 | I | A | 0.0505 | |
| 285 | R | A | -0.6538 | |
| 286 | V | A | 0.0000 | |
| 287 | N | A | -0.9903 | |
| 288 | V | A | 0.0000 | |
| 289 | F | A | -1.4585 | |
| 290 | R | A | -2.1819 | |
| 291 | E | A | -3.0991 | |
| 292 | H | A | -2.9349 | |
| 293 | R | A | -2.8165 | |
| 294 | Q | A | 0.0000 | |
| 295 | T | A | -0.9880 | |
| 296 | I | A | 0.0000 | |
| 297 | Q | A | -0.3764 | |
| 298 | Y | A | 0.0000 | |
| 299 | I | A | 0.0000 | |
| 300 | H | A | -0.8980 | |
| 301 | P | A | -0.2602 | |
| 302 | A | A | -0.3104 | |
| 303 | D | A | -0.6732 | |
| 304 | A | A | -0.1734 | |
| 305 | V | A | 0.6466 | |
| 306 | K | A | -1.0587 | |
| 307 | L | A | 0.0000 | |
| 308 | G | A | -1.0998 | |
| 309 | Q | A | -1.7430 | |
| 310 | A | A | 0.0000 | |
| 311 | E | A | -1.1890 | |
| 312 | L | A | 0.0000 | |
| 313 | V | A | 0.0000 | |
| 314 | V | A | 0.0000 | |
| 315 | I | A | 0.0000 | |
| 316 | D | A | 0.0000 | |
| 317 | E | A | -0.3710 | |
| 318 | A | A | 0.0000 | |
| 319 | A | A | 0.0000 | |
| 320 | A | A | -0.4257 | |
| 321 | I | A | 0.0000 | |
| 322 | P | A | 0.0000 | |
| 323 | L | A | -0.1843 | |
| 324 | P | A | -0.5104 | |
| 325 | L | A | -0.2055 | |
| 326 | V | A | 0.0000 | |
| 327 | K | A | -1.2298 | |
| 328 | S | A | -0.4378 | |
| 329 | L | A | 0.0000 | |
| 330 | L | A | -0.4745 | |
| 331 | G | A | -0.3822 | |
| 332 | P | A | -0.6959 | |
| 333 | Y | A | 0.0000 | |
| 334 | L | A | 0.0000 | |
| 335 | V | A | 0.0000 | |
| 336 | F | A | 0.0000 | |
| 337 | M | A | 0.0000 | |
| 338 | A | A | 0.0000 | |
| 339 | S | A | 0.0000 | |
| 340 | T | A | 0.0000 | |
| 341 | I | A | 0.2354 | |
| 342 | N | A | -0.1700 | |
| 343 | G | A | -0.5286 | |
| 344 | Y | A | 0.0000 | |
| 345 | E | A | -0.9708 | |
| 346 | G | A | -0.6556 | |
| 347 | T | A | 0.0000 | |
| 348 | G | A | 0.0000 | |
| 349 | R | A | 0.0000 | |
| 350 | S | A | 0.0000 | |
| 351 | L | A | 0.0000 | |
| 352 | S | A | 0.0000 | |
| 353 | L | A | 0.5129 | |
| 354 | K | A | -0.6955 | |
| 355 | L | A | 0.0000 | |
| 356 | I | A | 0.0000 | |
| 357 | Q | A | -2.3019 | |
| 358 | Q | A | -2.1878 | |
| 359 | L | A | 0.0000 | |
| 360 | R | A | -3.1990 | |
| 361 | Q | A | -3.3403 | |
| 362 | Q | A | -3.0683 | |
| 363 | S | A | -2.0775 | |
| 364 | A | A | -1.7855 | |
| 365 | Q | A | -1.7972 | |
| 366 | S | A | -1.4086 | |
| 367 | Q | A | -0.9102 | |
| 368 | V | A | 0.7526 | |
| 369 | S | A | -0.5395 | |
| 370 | T | A | -0.5436 | |
| 371 | T | A | -0.7602 | |
| 372 | A | A | -1.5505 | |
| 373 | E | A | -2.9053 | |
| 374 | N | A | -3.0147 | |
| 375 | K | A | -2.8832 | |
| 376 | T | A | -1.5148 | |
| 377 | T | A | -1.0789 | |
| 378 | T | A | -1.3039 | |
| 379 | T | A | -0.9103 | |
| 380 | A | A | -0.6613 | |
| 381 | R | A | -1.5140 | |
| 382 | L | A | -0.4449 | |
| 383 | A | A | -0.3917 | |
| 384 | S | A | -0.9473 | |
| 385 | A | A | -1.0614 | |
| 386 | R | A | -0.8388 | |
| 387 | T | A | -0.4803 | |
| 388 | L | A | -0.3886 | |
| 389 | Y | A | -0.3390 | |
| 390 | E | A | -0.7853 | |
| 391 | V | A | -0.6867 | |
| 392 | S | A | -0.8657 | |
| 393 | L | A | 0.0000 | |
| 394 | Q | A | -1.4986 | |
| 395 | E | A | -1.1922 | |
| 396 | S | A | 0.0000 | |
| 397 | I | A | -0.4600 | |
| 398 | R | A | -0.8157 | |
| 399 | Y | A | 0.0000 | |
| 400 | A | A | -0.6842 | |
| 401 | P | A | -0.8843 | |
| 402 | G | A | -1.1003 | |
| 403 | D | A | -1.3078 | |
| 404 | A | A | -1.4153 | |
| 405 | V | A | -0.9989 | |
| 406 | E | A | -1.1623 | |
| 407 | K | A | -1.9646 | |
| 408 | W | A | -1.3886 | |
| 409 | L | A | 0.0000 | |
| 410 | N | A | -1.4339 | |
| 411 | D | A | -1.9107 | |
| 412 | L | A | 0.0000 | |
| 413 | L | A | 0.0000 | |
| 414 | C | A | 0.0000 | |
| 415 | L | A | -0.5770 | |
| 416 | D | A | -0.9591 | |
| 417 | C | A | 0.0000 | |
| 418 | L | A | 0.6842 | |
| 419 | N | A | -0.9453 | |
| 420 | I | A | -0.5754 | |
| 421 | T | A | -0.8310 | |
| 422 | R | A | -1.4917 | |
| 423 | I | A | 0.0552 | |
| 424 | V | A | 1.2975 | |
| 425 | S | A | 0.4031 | |
| 426 | G | A | 0.2874 | |
| 427 | C | A | 0.8411 | |
| 428 | P | A | 0.4168 | |
| 429 | L | A | 1.0278 | |
| 430 | P | A | -0.1972 | |
| 431 | E | A | -1.4874 | |
| 432 | A | A | -0.5818 | |
| 433 | C | A | 0.0000 | |
| 434 | E | A | -0.7543 | |
| 435 | L | A | 0.0000 | |
| 436 | Y | A | -0.0764 | |
| 437 | Y | A | -0.0248 | |
| 438 | V | A | 0.0000 | |
| 439 | N | A | -0.1005 | |
| 440 | R | A | 0.0000 | |
| 441 | D | A | -0.5903 | |
| 442 | T | A | 0.0000 | |
| 443 | L | A | 0.0000 | |
| 444 | F | A | 0.0000 | |
| 445 | C | A | 0.0000 | |
| 446 | Y | A | -0.5112 | |
| 447 | H | A | -1.2751 | |
| 448 | K | A | -1.7350 | |
| 449 | A | A | -0.5523 | |
| 450 | S | A | 0.0000 | |
| 451 | E | A | -0.7376 | |
| 452 | V | A | 0.1291 | |
| 453 | F | A | 0.0000 | |
| 454 | L | A | 0.0000 | |
| 455 | Q | A | -0.6815 | |
| 456 | R | A | -0.7804 | |
| 457 | L | A | 0.0000 | |
| 458 | M | A | 0.0000 | |
| 459 | A | A | 0.0000 | |
| 460 | L | A | 0.0000 | |
| 461 | Y | A | 0.0000 | |
| 462 | V | A | 0.0000 | |
| 463 | A | A | 0.0000 | |
| 464 | S | A | -0.5353 | |
| 465 | H | A | -0.7963 | |
| 466 | Y | A | -0.6551 | |
| 467 | K | A | -1.2952 | |
| 468 | N | A | 0.0000 | |
| 469 | S | A | -0.7939 | |
| 470 | P | A | 0.0000 | |
| 471 | N | A | -0.5401 | |
| 472 | D | A | -0.5619 | |
| 473 | L | A | 0.0000 | |
| 474 | Q | A | 0.0000 | |
| 475 | M | A | -0.1931 | |
| 476 | L | A | 0.0000 | |
| 477 | S | A | 0.0000 | |
| 478 | D | A | 0.0000 | |
| 479 | A | A | 0.0000 | |
| 480 | P | A | -0.7894 | |
| 481 | A | A | 0.0000 | |
| 482 | H | A | 0.0000 | |
| 483 | H | A | 0.0000 | |
| 484 | L | A | 0.0000 | |
| 485 | F | A | 0.0000 | |
| 486 | C | A | 0.0000 | |
| 487 | L | A | 0.0000 | |
| 488 | L | A | 0.0000 | |
| 489 | P | A | -0.0698 | |
| 490 | P | A | 0.1347 | |
| 491 | V | A | 0.2502 | |
| 492 | P | A | -0.3633 | |
| 493 | P | A | -0.7019 | |
| 494 | T | A | -0.9542 | |
| 495 | Q | A | -1.6951 | |
| 496 | N | A | -1.6965 | |
| 497 | A | A | -0.7897 | |
| 498 | L | A | 0.0601 | |
| 499 | P | A | -0.4214 | |
| 500 | E | A | -0.6565 | |
| 501 | V | A | 0.0000 | |
| 502 | L | A | 0.0000 | |
| 503 | A | A | 0.0000 | |
| 504 | V | A | 0.0000 | |
| 505 | I | A | 0.0000 | |
| 506 | Q | A | 0.0000 | |
| 507 | V | A | 0.0000 | |
| 508 | C | A | 0.0000 | |
| 509 | L | A | 0.0000 | |
| 510 | E | A | 0.0000 | |
| 511 | G | A | 0.0000 | |
| 512 | E | A | -2.5562 | |
| 513 | I | A | 0.0000 | |
| 514 | S | A | -2.2874 | |
| 515 | R | A | -3.1057 | |
| 516 | Q | A | -2.0226 | |
| 517 | S | A | -1.6469 | |
| 518 | I | A | 0.0000 | |
| 519 | L | A | -0.8989 | |
| 520 | N | A | -1.8267 | |
| 521 | S | A | -2.3759 | |
| 522 | L | A | -1.5544 | |
| 523 | S | A | -1.2778 | |
| 524 | R | A | -2.8930 | |
| 525 | G | A | -2.7452 | |
| 526 | K | A | -3.4197 | |
| 527 | K | A | -3.0930 | |
| 528 | A | A | -1.8259 | |
| 529 | S | A | -1.7010 | |
| 530 | G | A | -1.1566 | |
| 531 | D | A | 0.0000 | |
| 532 | L | A | 0.2682 | |
| 533 | I | A | 0.0000 | |
| 534 | P | A | 0.0000 | |
| 535 | W | A | 0.0000 | |
| 536 | T | A | -0.9931 | |
| 537 | V | A | 0.0000 | |
| 538 | S | A | 0.0000 | |
| 539 | E | A | -2.5453 | |
| 540 | Q | A | -1.5749 | |
| 541 | F | A | -1.1963 | |
| 542 | Q | A | -2.0581 | |
| 543 | D | A | -1.8382 | |
| 544 | P | A | -2.1162 | |
| 545 | D | A | -2.7371 | |
| 546 | F | A | 0.0000 | |
| 547 | G | A | 0.0000 | |
| 548 | G | A | -2.1446 | |
| 549 | L | A | -0.9873 | |
| 550 | S | A | -1.0996 | |
| 551 | G | A | 0.0000 | |
| 552 | G | A | 0.0000 | |
| 553 | R | A | 0.0148 | |
| 554 | V | A | 0.0000 | |
| 555 | V | A | 0.5813 | |
| 556 | R | A | 0.0000 | |
| 557 | I | A | 0.3783 | |
| 558 | A | A | 0.0000 | |
| 559 | V | A | -0.3530 | |
| 560 | H | A | 0.0000 | |
| 561 | P | A | -1.0425 | |
| 562 | D | A | -1.8506 | |
| 563 | Y | A | 0.0000 | |
| 564 | Q | A | -1.6319 | |
| 565 | G | A | -0.9392 | |
| 566 | M | A | 0.0302 | |
| 567 | G | A | -0.3379 | |
| 568 | Y | A | 0.0000 | |
| 569 | G | A | 0.0000 | |
| 570 | S | A | -0.7309 | |
| 571 | R | A | -1.1154 | |
| 572 | A | A | 0.0000 | |
| 573 | L | A | 0.0000 | |
| 574 | Q | A | -1.0025 | |
| 575 | L | A | 0.0000 | |
| 576 | L | A | 0.0000 | |
| 577 | Q | A | -0.8840 | |
| 578 | M | A | -0.8662 | |
| 579 | Y | A | 0.0000 | |
| 580 | Y | A | 0.0000 | |
| 581 | E | A | -1.7588 | |
| 582 | G | A | -1.8271 | |
| 583 | R | A | -2.0291 | |
| 584 | F | A | -0.8611 | |
| 585 | P | A | -0.8346 | |
| 586 | C | A | -0.9414 | |
| 587 | L | A | -0.0553 | |
| 588 | E | A | -1.5035 | |
| 589 | E | A | -1.9785 | |
| 590 | K | A | -1.2170 | |
| 591 | V | A | 0.6181 | |
| 592 | L | A | 0.6787 | |
| 593 | E | A | -1.0389 | |
| 594 | T | A | -0.7504 | |
| 595 | P | A | -1.4434 | |
| 596 | Q | A | -2.3647 | |
| 597 | E | A | -1.8843 | |
| 598 | I | A | 0.4113 | |
| 599 | H | A | -0.4123 | |
| 600 | T | A | 0.2750 | |
| 601 | V | A | 1.2276 | |
| 602 | S | A | 0.0341 | |
| 603 | S | A | -0.6878 | |
| 604 | E | A | -1.4829 | |
| 605 | A | A | -0.1097 | |
| 606 | V | A | 1.0371 | |
| 607 | S | A | 0.1680 | |
| 608 | L | A | 0.6361 | |
| 609 | L | A | 1.0490 | |
| 610 | E | A | -0.2057 | |
| 611 | E | A | 0.0000 | |
| 612 | V | A | 1.8655 | |
| 613 | I | A | 0.7644 | |
| 614 | T | A | 0.0998 | |
| 615 | P | A | -1.0183 | |
| 616 | R | A | -1.8785 | |
| 617 | K | A | -2.7708 | |
| 618 | D | A | -2.5898 | |
| 619 | L | A | -1.1797 | |
| 620 | P | A | -0.5897 | |
| 621 | P | A | -0.0344 | |
| 622 | L | A | 0.2810 | |
| 623 | L | A | 0.3628 | |
| 624 | L | A | -0.3505 | |
| 625 | K | A | -1.0071 | |
| 626 | L | A | 0.0000 | |
| 627 | N | A | -1.1130 | |
| 628 | E | A | -1.5856 | |
| 629 | R | A | -0.9822 | |
| 630 | P | A | -0.9672 | |
| 631 | A | A | -1.3088 | |
| 632 | E | A | -1.4931 | |
| 633 | R | A | -2.2687 | |
| 634 | L | A | 0.0000 | |
| 635 | D | A | -0.8959 | |
| 636 | Y | A | 0.0000 | |
| 637 | L | A | 0.0000 | |
| 638 | G | A | 0.0000 | |
| 639 | V | A | 0.0000 | |
| 640 | S | A | 0.1712 | |
| 641 | Y | A | 0.1204 | |
| 642 | G | A | -0.5712 | |
| 643 | L | A | 0.0000 | |
| 644 | T | A | -0.7915 | |
| 645 | P | A | -1.2812 | |
| 646 | R | A | -1.9426 | |
| 647 | L | A | -0.8639 | |
| 648 | L | A | 0.0000 | |
| 649 | K | A | -1.8233 | |
| 650 | F | A | -1.1611 | |
| 651 | W | A | 0.0000 | |
| 652 | K | A | -1.7651 | |
| 653 | R | A | -2.3284 | |
| 654 | A | A | -1.3326 | |
| 655 | G | A | -1.1921 | |
| 656 | F | A | 0.0000 | |
| 657 | V | A | 0.0000 | |
| 658 | P | A | 0.0000 | |
| 659 | V | A | 0.0000 | |
| 660 | Y | A | -0.4175 | |
| 661 | L | A | 0.0000 | |
| 662 | R | A | -2.1467 | |
| 663 | Q | A | -1.2421 | |
| 664 | T | A | -1.5054 | |
| 665 | P | A | -1.8032 | |
| 666 | N | A | -2.0697 | |
| 667 | D | A | -2.1645 | |
| 668 | L | A | -0.9842 | |
| 669 | T | A | -0.9940 | |
| 670 | G | A | -1.2327 | |
| 671 | E | A | -1.4432 | |
| 672 | H | A | 0.0000 | |
| 673 | S | A | -1.0113 | |
| 674 | C | A | 0.0000 | |
| 675 | I | A | 0.0000 | |
| 676 | M | A | 0.0000 | |
| 677 | L | A | 0.0000 | |
| 678 | K | A | -0.3622 | |
| 679 | T | A | -0.6092 | |
| 680 | L | A | 0.0000 | |
| 681 | T | A | -2.3660 | |
| 682 | D | A | -3.3632 | |
| 683 | E | A | -4.2149 | |
| 684 | D | A | -4.2759 | |
| 685 | E | A | -4.3355 | |
| 686 | A | A | -3.3813 | |
| 687 | D | A | -3.2838 | |
| 688 | Q | A | -2.7456 | |
| 689 | G | A | -2.0241 | |
| 690 | G | A | -1.0916 | |
| 691 | W | A | -0.5400 | |
| 692 | L | A | 0.0000 | |
| 693 | A | A | -0.4170 | |
| 694 | A | A | -0.4756 | |
| 695 | F | A | 0.0000 | |
| 696 | W | A | 0.0000 | |
| 697 | K | A | -1.5960 | |
| 698 | D | A | -1.6448 | |
| 699 | F | A | 0.0000 | |
| 700 | R | A | -1.5745 | |
| 701 | R | A | -2.2659 | |
| 702 | R | A | -1.5511 | |
| 703 | F | A | 0.0000 | |
| 704 | L | A | 0.0000 | |
| 705 | A | A | -0.3429 | |
| 706 | L | A | 0.1941 | |
| 707 | L | A | 0.0000 | |
| 708 | S | A | 0.1643 | |
| 709 | Y | A | 0.7747 | |
| 710 | Q | A | -0.5339 | |
| 711 | F | A | 0.0000 | |
| 712 | S | A | -0.1476 | |
| 713 | T | A | -0.0977 | |
| 714 | F | A | -0.1481 | |
| 715 | S | A | -0.5423 | |
| 716 | P | A | 0.0000 | |
| 717 | S | A | -0.3141 | |
| 718 | L | A | 0.0000 | |
| 719 | A | A | 0.0000 | |
| 720 | L | A | 0.0000 | |
| 721 | N | A | -0.9821 | |
| 722 | I | A | 0.0000 | |
| 723 | I | A | 0.0000 | |
| 724 | Q | A | -1.9061 | |
| 725 | N | A | -2.2980 | |
| 726 | R | A | -3.0199 | |
| 727 | N | A | -2.0967 | |
| 728 | M | A | -1.5550 | |
| 729 | G | A | -1.7697 | |
| 730 | K | A | -2.4375 | |
| 731 | P | A | -1.4526 | |
| 732 | A | A | -1.1872 | |
| 733 | Q | A | -1.5461 | |
| 734 | P | A | -0.9047 | |
| 735 | A | A | -0.8830 | |
| 736 | L | A | 0.0000 | |
| 737 | S | A | -1.4556 | |
| 738 | R | A | -2.2030 | |
| 739 | E | A | -2.9036 | |
| 740 | E | A | -2.0754 | |
| 741 | L | A | 0.0000 | |
| 742 | E | A | -2.0457 | |
| 743 | A | A | -0.8616 | |
| 744 | L | A | 0.3512 | |
| 745 | F | A | 0.0000 | |
| 746 | L | A | 1.3257 | |
| 747 | P | A | 0.3249 | |
| 748 | Y | A | 0.8766 | |
| 749 | D | A | 0.1579 | |
| 750 | L | A | -0.6260 | |
| 751 | K | A | -1.5233 | |
| 752 | R | A | -0.7498 | |
| 753 | L | A | 0.0000 | |
| 754 | E | A | -2.2626 | |
| 755 | M | A | -1.3768 | |
| 756 | Y | A | 0.0000 | |
| 757 | S | A | -2.5323 | |
| 758 | R | A | -2.3638 | |
| 759 | N | A | -2.0126 | |
| 760 | M | A | -0.3823 | |
| 761 | V | A | -0.6647 | |
| 762 | D | A | -1.5335 | |
| 763 | Y | A | -0.9272 | |
| 764 | H | A | -1.1285 | |
| 765 | L | A | -0.2153 | |
| 766 | I | A | 0.0000 | |
| 767 | M | A | -0.8794 | |
| 768 | D | A | -1.6418 | |
| 769 | M | A | 0.0000 | |
| 770 | I | A | 0.0000 | |
| 771 | P | A | -0.7860 | |
| 772 | A | A | -0.3774 | |
| 773 | I | A | 0.0000 | |
| 774 | S | A | 0.0000 | |
| 775 | R | A | -1.0634 | |
| 776 | I | A | 0.0000 | |
| 777 | Y | A | -0.4451 | |
| 778 | F | A | 0.0000 | |
| 779 | L | A | -0.8771 | |
| 780 | N | A | -1.3197 | |
| 781 | Q | A | -1.0609 | |
| 782 | L | A | 0.0000 | |
| 783 | G | A | -1.5171 | |
| 784 | D | A | -1.9542 | |
| 785 | L | A | -0.9006 | |
| 786 | A | A | -0.4807 | |
| 787 | L | A | -0.2924 | |
| 788 | S | A | 0.0231 | |
| 789 | A | A | -0.0203 | |
| 790 | A | A | 0.1600 | |
| 791 | Q | A | 0.0000 | |
| 792 | S | A | 0.0000 | |
| 793 | A | A | 0.0000 | |
| 794 | L | A | 0.0000 | |
| 795 | L | A | 0.0000 | |
| 796 | L | A | 0.0000 | |
| 797 | G | A | 0.0000 | |
| 798 | I | A | 0.0000 | |
| 799 | G | A | 0.0000 | |
| 800 | L | A | 0.0000 | |
| 801 | Q | A | 0.0000 | |
| 802 | H | A | -0.9262 | |
| 803 | K | A | -1.2254 | |
| 804 | S | A | -1.2947 | |
| 805 | V | A | -1.6779 | |
| 806 | D | A | -2.9930 | |
| 807 | Q | A | -2.9767 | |
| 808 | L | A | 0.0000 | |
| 809 | E | A | -3.1698 | |
| 810 | K | A | -3.5509 | |
| 811 | E | A | -2.5633 | |
| 812 | I | A | -1.5922 | |
| 813 | E | A | -2.5882 | |
| 814 | L | A | -1.5135 | |
| 815 | P | A | -1.5636 | |
| 816 | S | A | -1.6238 | |
| 817 | G | A | -1.0576 | |
| 818 | Q | A | -1.4126 | |
| 819 | L | A | 0.0000 | |
| 820 | M | A | -0.5345 | |
| 821 | G | A | -0.8835 | |
| 822 | L | A | -0.6751 | |
| 823 | F | A | 0.0000 | |
| 824 | N | A | -1.5624 | |
| 825 | R | A | -1.8966 | |
| 826 | I | A | 0.0000 | |
| 827 | I | A | 0.0000 | |
| 828 | R | A | -2.5343 | |
| 829 | K | A | -1.9583 | |
| 830 | V | A | 0.0000 | |
| 831 | V | A | 0.0000 | |
| 832 | K | A | -2.8027 | |
| 833 | L | A | -1.8703 | |
| 834 | F | A | 0.0000 | |
| 835 | N | A | -2.9047 | |
| 836 | E | A | -3.4298 | |
| 837 | V | A | -2.2040 | |
| 838 | Q | A | -2.8381 | |
| 839 | E | A | -4.0507 | |
| 840 | K | A | -4.1073 | |
| 841 | A | A | -2.7966 | |
| 842 | I | A | -1.9292 | |
| 843 | E | A | -2.9634 | |
| 844 | E | A | -2.8864 | |
| 845 | Q | A | -1.6978 | |
| 846 | M | A | 0.2713 | |
| 847 | V | A | 0.8559 | |
| 848 | A | A | -0.2730 | |
| 849 | A | A | -0.2527 | |
| 850 | K | A | -1.5417 | |
| 851 | D | A | -1.0659 | |
| 852 | V | A | 1.3506 | |
| 853 | V | A | 1.8332 | |
| 854 | M | A | 1.2277 | |
| 855 | E | A | -0.5685 | |
| 856 | P | A | -0.5917 | |
| 857 | T | A | -0.4830 | |
| 858 | M | A | 0.0145 | |
| 859 | K | A | -1.1895 | |
| 860 | T | A | -0.3939 | |
| 861 | L | A | 0.4370 | |
| 862 | S | A | -0.9176 | |
| 863 | D | A | -2.4590 | |
| 864 | D | A | -2.7011 | |
| 865 | L | A | -1.2889 | |
| 866 | D | A | -3.1315 | |
| 867 | E | A | -4.0003 | |
| 868 | A | A | -2.4738 | |
| 869 | A | A | -2.4067 | |
| 870 | K | A | -3.9887 | |
| 871 | E | A | -3.7513 | |
| 872 | F | A | -2.0397 | |
| 873 | Q | A | -3.7113 | |
| 874 | E | A | -4.5422 | |
| 875 | K | A | -4.4889 | |
| 876 | H | A | -4.3826 | |
| 877 | K | A | -4.6104 | |
| 878 | K | A | -4.8267 | |
| 879 | E | A | -4.4492 | |
| 880 | V | A | -2.5994 | |
| 881 | G | A | -2.9394 | |
| 882 | K | A | -2.7467 | |
| 883 | L | A | -0.7471 | |
| 884 | K | A | -1.8445 | |
| 885 | S | A | -0.8316 | |
| 886 | M | A | -0.0494 | |
| 887 | D | A | -0.9762 | |
| 888 | L | A | 1.0052 | |
| 889 | S | A | 0.3803 | |
| 890 | E | A | -0.3484 | |
| 891 | Y | A | 2.0418 | |
| 892 | I | A | 2.8733 | |
| 893 | I | A | 1.8940 | |
| 894 | R | A | -1.0165 | |
| 895 | G | A | -2.4009 | |
| 896 | D | A | -4.1040 | |
| 897 | D | A | -4.5015 | |
| 898 | E | A | -4.5023 | |
| 899 | E | A | -4.1268 | |
| 900 | W | A | -2.6184 | |
| 901 | N | A | -3.3905 | |
| 902 | E | A | -3.6579 | |
| 903 | V | A | -1.4315 | |
| 904 | L | A | -0.9941 | |
| 905 | N | A | -2.3250 | |
| 906 | K | A | -2.4697 | |
| 907 | A | A | -1.0478 | |
| 908 | G | A | -1.4221 | |
| 909 | P | A | -1.1125 | |
| 910 | N | A | -1.3258 | |
| 911 | A | A | -0.0135 | |
| 912 | S | A | 0.6830 | |
| 913 | I | A | 2.4435 | |
| 914 | I | A | 2.8135 | |
| 915 | S | A | 1.3360 | |
| 916 | L | A | 0.7469 | |
| 917 | K | A | -1.7928 | |
| 918 | S | A | -2.1337 | |
| 919 | D | A | -3.3427 | |
| 920 | K | A | -4.0017 | |
| 921 | K | A | -4.2464 | |
| 922 | R | A | -3.7067 | |
| 923 | K | A | -2.6799 | |
| 924 | L | A | -0.8748 | |
| 925 | E | A | -1.8814 | |
| 926 | A | A | -1.5825 | |
| 927 | K | A | -2.9756 | |
| 928 | Q | A | -3.1385 | |
| 929 | E | A | -3.5241 | |
| 930 | P | A | -2.7186 | |
| 931 | K | A | -3.3210 | |
| 932 | Q | A | -3.0859 | |
| 933 | S | A | -2.6489 | |
| 934 | K | A | -2.9320 | |
| 935 | K | A | -2.3334 | |
| 936 | L | A | -0.8584 | |
| 937 | K | A | -2.4034 | |
| 938 | N | A | -3.1438 | |
| 939 | R | A | -3.7999 | |
| 940 | E | A | -3.4601 | |
| 941 | T | A | -2.5015 | |
| 942 | K | A | -3.3793 | |
| 943 | N | A | -3.4715 | |
| 944 | K | A | -4.0231 | |
| 945 | K | A | -3.7128 | |
| 946 | D | A | -2.8389 | |
| 947 | M | A | -0.7180 | |
| 948 | K | A | -1.1559 | |
| 949 | L | A | -0.3995 | |
| 950 | K | A | -2.5322 | |
| 951 | R | A | -3.5529 | |
| 952 | K | A | -3.9329 | |
| 953 | K | A | -3.1006 |
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 | -0.6906 | 6.7434 | View | CSV | PDB |
| 4.5 | -0.7709 | 6.4999 | View | CSV | PDB |
| 5.0 | -0.8705 | 6.2152 | View | CSV | PDB |
| 5.5 | -0.9698 | 5.9153 | View | CSV | PDB |
| 6.0 | -1.048 | 5.6476 | View | CSV | PDB |
| 6.5 | -1.0905 | 5.5391 | View | CSV | PDB |
| 7.0 | -1.0958 | 5.4503 | View | CSV | PDB |
| 7.5 | -1.0745 | 5.3776 | View | CSV | PDB |
| 8.0 | -1.0381 | 5.3158 | View | CSV | PDB |
| 8.5 | -0.9911 | 5.2659 | View | CSV | PDB |
| 9.0 | -0.9335 | 5.233 | 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