| Chain sequence(s) | MAATGTAAAAATGKLLVLLLLGLTAPAAALAGYIEALAANAGTGFAVAEPQIAMFCGKLNMHVNIQTGKWEPDPTGTKSCLGTKEEVLQYCQEIYPELQITNVMEANQPVNIDSWCRRDKRQCKSHIVIPFKCLVGEFVSDVLLVPDNCQFFHQERMEVCEKHQRWHTLVKEACLTEGLTLYSYGMLLPCGVDQFHGTEYVCCPQTKTVDSDSTMSKEEEEEEEDEEDEEEDYDLDKSEFPTEADLEDFTEAAADEEEEDEEEGEEVVEDRDYYYDPFKGDDYNEENPTEPSSEGTISDKEIVHDVKVPPTPLPTNDVDVYFETSADDNEHARFQKAKEQLEIRHRNRMDRVKKEWEEAELQAKNLPKTERQTLIQHFQAMVKALEKEAASEKQQLVETHLARVEAMLNDRRRIALENYLAALQSDPPRPHRILQALRRYVRAENKDRLHTIRHYQHVLAVDPEKAAQMKSQVMTHLHVIEERRNQSLSLLYKVPYVAQEIQEEIDELLQEQRADMDQFTSSISENPVDVRVSSEESEEIPPFHPLHPFPSLSENEDTQPELYHPMKKGSGMAEQDGGLIGAEEKVINSKNKMDENMVIDETLDVKEMIFNAERVGGLEEEPESVGPLREDFSLSSNALIGLLVIAVAIATVIVISLVMLRKRQYGTISHGIVEVDPMLTPEERHLNKMQNHGYENPTYKYLEQMQI input PDB |
| Selected Chain(s) | A |
| Distance of aggregation | 10 Å |
| FoldX usage | Yes |
| pH calculations | Yes |
| 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. (00:00:03)
[INFO] FoldX: Starting FoldX energy minimization (00:00:03)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:29:24)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/a4d4e67dbed675/tmp/folded.pdb (00:29:24)
[INFO] Main: Simulation completed successfully. (00:46:09)
|
The table below lists A3D score for protein residues. Residues with A3D score > 0.0000 are marked by yellow rows.
| residue index | residue name | chain | Aggrescan3D score | mutation |
|---|---|---|---|---|
| residue index | residue name | chain | Aggrescan3D score | |
| 1 | M | A | 1.0940 | |
| 2 | A | A | 0.5747 | |
| 3 | A | A | 0.1806 | |
| 4 | T | A | -0.2645 | |
| 5 | G | A | -0.5160 | |
| 6 | T | A | -0.3130 | |
| 7 | A | A | -0.0352 | |
| 8 | A | A | 0.1150 | |
| 9 | A | A | 0.1383 | |
| 10 | A | A | 0.1117 | |
| 11 | A | A | -0.0380 | |
| 12 | T | A | -0.6229 | |
| 13 | G | A | -0.7767 | |
| 14 | K | A | -0.8254 | |
| 15 | L | A | 1.7833 | |
| 16 | L | A | 3.2083 | |
| 17 | V | A | 3.9648 | |
| 18 | L | A | 4.0051 | |
| 19 | L | A | 3.8670 | |
| 20 | L | A | 3.4460 | |
| 21 | L | A | 2.8621 | |
| 22 | G | A | 1.7076 | |
| 23 | L | A | 1.8204 | |
| 24 | T | A | 0.5557 | |
| 25 | A | A | 0.2365 | |
| 26 | P | A | -0.1974 | |
| 27 | A | A | -0.0103 | |
| 28 | A | A | 0.3879 | |
| 29 | A | A | 0.8524 | |
| 30 | L | A | 1.5083 | |
| 31 | A | A | 0.8277 | |
| 32 | G | A | 0.9418 | |
| 33 | Y | A | 1.6718 | |
| 34 | I | A | 1.8217 | |
| 35 | E | A | -0.1794 | |
| 36 | A | A | 0.4876 | |
| 37 | L | A | 1.4017 | |
| 38 | A | A | 0.8412 | |
| 39 | A | A | 0.1817 | |
| 40 | N | A | -0.2590 | |
| 41 | A | A | 0.1829 | |
| 42 | G | A | -0.5596 | |
| 43 | T | A | -0.3052 | |
| 44 | G | A | 0.3630 | |
| 45 | F | A | 1.8375 | |
| 46 | A | A | 0.9252 | |
| 47 | V | A | 1.1797 | |
| 48 | A | A | -0.0324 | |
| 49 | E | A | -0.7053 | |
| 50 | P | A | 0.0000 | |
| 51 | Q | A | -0.3283 | |
| 52 | I | A | 0.0000 | |
| 53 | A | A | 0.0000 | |
| 54 | M | A | 1.0318 | |
| 55 | F | A | 1.5354 | |
| 56 | C | A | 1.0250 | |
| 57 | G | A | -0.4436 | |
| 58 | K | A | 0.0000 | |
| 59 | L | A | -0.7117 | |
| 60 | N | A | 0.0000 | |
| 61 | M | A | 0.0000 | |
| 62 | H | A | -0.6837 | |
| 63 | V | A | 0.0000 | |
| 64 | N | A | -1.3311 | |
| 65 | I | A | -0.4184 | |
| 66 | Q | A | -0.7624 | |
| 67 | T | A | -0.6866 | |
| 68 | G | A | -1.2224 | |
| 69 | K | A | -2.0413 | |
| 70 | W | A | -1.5164 | |
| 71 | E | A | -1.4874 | |
| 72 | P | A | -0.7645 | |
| 73 | D | A | 0.0000 | |
| 74 | P | A | -0.6359 | |
| 75 | T | A | -0.4800 | |
| 76 | G | A | -0.9271 | |
| 77 | T | A | -0.8280 | |
| 78 | K | A | -0.7356 | |
| 79 | S | A | 0.0090 | |
| 80 | C | A | 0.6248 | |
| 81 | L | A | -0.3738 | |
| 82 | G | A | -0.8700 | |
| 83 | T | A | -1.3738 | |
| 84 | K | A | -1.8169 | |
| 85 | E | A | -2.7430 | |
| 86 | E | A | -2.5125 | |
| 87 | V | A | 0.0000 | |
| 88 | L | A | -1.6819 | |
| 89 | Q | A | -2.4674 | |
| 90 | Y | A | 0.0000 | |
| 91 | C | A | 0.0000 | |
| 92 | Q | A | -2.2711 | |
| 93 | E | A | -2.4525 | |
| 94 | I | A | -1.3180 | |
| 95 | Y | A | 0.0000 | |
| 96 | P | A | -1.8134 | |
| 97 | E | A | -2.1832 | |
| 98 | L | A | -1.5046 | |
| 99 | Q | A | -1.8270 | |
| 100 | I | A | 0.0000 | |
| 101 | T | A | -0.6334 | |
| 102 | N | A | 0.0000 | |
| 103 | V | A | 0.0000 | |
| 104 | M | A | 0.0000 | |
| 105 | E | A | -0.4723 | |
| 106 | A | A | 0.0000 | |
| 107 | N | A | -1.0397 | |
| 108 | Q | A | -1.1675 | |
| 109 | P | A | 0.0354 | |
| 110 | V | A | 0.0429 | |
| 111 | N | A | -0.6222 | |
| 112 | I | A | 0.0000 | |
| 113 | D | A | -2.2771 | |
| 114 | S | A | -2.2817 | |
| 115 | W | A | 0.0000 | |
| 116 | C | A | -2.9951 | |
| 117 | R | A | -4.1684 | |
| 118 | R | A | -4.2072 | |
| 119 | D | A | -4.4994 | |
| 120 | K | A | -4.7679 | |
| 121 | R | A | -4.2333 | |
| 122 | Q | A | -3.4126 | |
| 123 | C | A | -2.8034 | |
| 124 | K | A | -2.7964 | |
| 125 | S | A | -1.5876 | |
| 126 | H | A | -0.1542 | |
| 127 | I | A | 1.5808 | |
| 128 | V | A | 1.4523 | |
| 129 | I | A | 1.2404 | |
| 130 | P | A | 0.0000 | |
| 131 | F | A | 0.3237 | |
| 132 | K | A | 0.0000 | |
| 133 | C | A | 0.0000 | |
| 134 | L | A | 0.0956 | |
| 135 | V | A | -0.2941 | |
| 136 | G | A | -0.8080 | |
| 137 | E | A | -1.2706 | |
| 138 | F | A | 0.5179 | |
| 139 | V | A | 1.6574 | |
| 140 | S | A | 1.0622 | |
| 141 | D | A | 0.6141 | |
| 142 | V | A | 2.1223 | |
| 143 | L | A | 2.0553 | |
| 144 | L | A | 2.5160 | |
| 145 | V | A | 1.5032 | |
| 146 | P | A | -0.2645 | |
| 147 | D | A | -2.2192 | |
| 148 | N | A | -2.2762 | |
| 149 | C | A | 0.0000 | |
| 150 | Q | A | -0.7487 | |
| 151 | F | A | 1.0081 | |
| 152 | F | A | 0.0340 | |
| 153 | H | A | -0.9996 | |
| 154 | Q | A | -1.5315 | |
| 155 | E | A | -2.0298 | |
| 156 | R | A | -2.2662 | |
| 157 | M | A | -0.7818 | |
| 158 | E | A | -1.8843 | |
| 159 | V | A | -1.0579 | |
| 160 | C | A | -0.6026 | |
| 161 | E | A | -1.7526 | |
| 162 | K | A | -2.2970 | |
| 163 | H | A | 0.0000 | |
| 164 | Q | A | -2.3486 | |
| 165 | R | A | -2.7579 | |
| 166 | W | A | 0.0000 | |
| 167 | H | A | -1.7405 | |
| 168 | T | A | -1.5796 | |
| 169 | L | A | -1.0213 | |
| 170 | V | A | 0.0000 | |
| 171 | K | A | -1.3218 | |
| 172 | E | A | -1.8814 | |
| 173 | A | A | -0.9760 | |
| 174 | C | A | 0.0000 | |
| 175 | L | A | 0.0321 | |
| 176 | T | A | -0.9186 | |
| 177 | E | A | -1.7472 | |
| 178 | G | A | -1.0734 | |
| 179 | L | A | -0.7012 | |
| 180 | T | A | -0.1904 | |
| 181 | L | A | 0.2628 | |
| 182 | Y | A | 1.3861 | |
| 183 | S | A | 0.8988 | |
| 184 | Y | A | 0.0000 | |
| 185 | G | A | 0.0000 | |
| 186 | M | A | 0.0000 | |
| 187 | L | A | -0.0657 | |
| 188 | L | A | 0.6623 | |
| 189 | P | A | 0.1382 | |
| 190 | C | A | 0.2240 | |
| 191 | G | A | -0.4078 | |
| 192 | V | A | -0.5799 | |
| 193 | D | A | 0.0000 | |
| 194 | Q | A | -1.1338 | |
| 195 | F | A | 0.0000 | |
| 196 | H | A | -0.9045 | |
| 197 | G | A | 0.0000 | |
| 198 | T | A | 0.0000 | |
| 199 | E | A | -0.4207 | |
| 200 | Y | A | 0.0000 | |
| 201 | V | A | 0.0000 | |
| 202 | C | A | 0.0000 | |
| 203 | C | A | -0.6800 | |
| 204 | P | A | -1.3571 | |
| 205 | Q | A | -1.6009 | |
| 206 | T | A | -1.2608 | |
| 207 | K | A | -1.8678 | |
| 208 | T | A | -0.7423 | |
| 209 | V | A | 0.1353 | |
| 210 | D | A | -1.7703 | |
| 211 | S | A | -1.5405 | |
| 212 | D | A | -2.2626 | |
| 213 | S | A | -1.2362 | |
| 214 | T | A | -0.1544 | |
| 215 | M | A | 0.4877 | |
| 216 | S | A | -1.1079 | |
| 217 | K | A | -2.8325 | |
| 218 | E | A | -4.0198 | |
| 219 | E | A | -4.4031 | |
| 220 | E | A | -4.5960 | |
| 221 | E | A | -4.7680 | |
| 222 | E | A | -4.5629 | |
| 223 | E | A | -4.7580 | |
| 224 | E | A | -4.6446 | |
| 225 | D | A | -4.4475 | |
| 226 | E | A | -4.4302 | |
| 227 | E | A | -4.4150 | |
| 228 | D | A | -4.6039 | |
| 229 | E | A | -4.5963 | |
| 230 | E | A | -4.2891 | |
| 231 | E | A | -4.0722 | |
| 232 | D | A | -2.9961 | |
| 233 | Y | A | -0.9347 | |
| 234 | D | A | -1.4274 | |
| 235 | L | A | -0.5379 | |
| 236 | D | A | -2.1155 | |
| 237 | K | A | -2.6822 | |
| 238 | S | A | -1.9866 | |
| 239 | E | A | -1.4463 | |
| 240 | F | A | 0.8802 | |
| 241 | P | A | -0.1874 | |
| 242 | T | A | -0.7753 | |
| 243 | E | A | -2.1037 | |
| 244 | A | A | -1.6537 | |
| 245 | D | A | -1.7859 | |
| 246 | L | A | -0.9126 | |
| 247 | E | A | -1.8268 | |
| 248 | D | A | -1.2511 | |
| 249 | F | A | 0.1375 | |
| 250 | T | A | -0.6532 | |
| 251 | E | A | -1.4284 | |
| 252 | A | A | -0.8056 | |
| 253 | A | A | -0.6811 | |
| 254 | A | A | -1.1634 | |
| 255 | D | A | -3.0561 | |
| 256 | E | A | -3.9324 | |
| 257 | E | A | -4.3278 | |
| 258 | E | A | -4.4257 | |
| 259 | E | A | -4.7389 | |
| 260 | D | A | -4.5137 | |
| 261 | E | A | -4.4300 | |
| 262 | E | A | -4.5337 | |
| 263 | E | A | -3.9811 | |
| 264 | G | A | -3.1938 | |
| 265 | E | A | -2.8824 | |
| 266 | E | A | -1.8882 | |
| 267 | V | A | 0.4994 | |
| 268 | V | A | 0.2617 | |
| 269 | E | A | -2.4129 | |
| 270 | D | A | -3.0428 | |
| 271 | R | A | -3.3352 | |
| 272 | D | A | -2.6190 | |
| 273 | Y | A | -0.1629 | |
| 274 | Y | A | 0.8811 | |
| 275 | Y | A | 0.4266 | |
| 276 | D | A | -1.1212 | |
| 277 | P | A | -0.7705 | |
| 278 | F | A | 0.1540 | |
| 279 | K | A | -2.0188 | |
| 280 | G | A | -1.9222 | |
| 281 | D | A | -2.9115 | |
| 282 | D | A | -2.9767 | |
| 283 | Y | A | -1.4455 | |
| 284 | N | A | -2.8634 | |
| 285 | E | A | -3.5660 | |
| 286 | E | A | -3.5436 | |
| 287 | N | A | -3.2119 | |
| 288 | P | A | -1.9051 | |
| 289 | T | A | -1.6902 | |
| 290 | E | A | -2.2757 | |
| 291 | P | A | -1.3905 | |
| 292 | S | A | -1.4098 | |
| 293 | S | A | -1.5611 | |
| 294 | E | A | -2.0119 | |
| 295 | G | A | -0.9681 | |
| 296 | T | A | 0.0152 | |
| 297 | I | A | 0.9684 | |
| 298 | S | A | -0.7786 | |
| 299 | D | A | -2.4884 | |
| 300 | K | A | -2.8295 | |
| 301 | E | A | -1.7502 | |
| 302 | I | A | 0.9526 | |
| 303 | V | A | 1.6524 | |
| 304 | H | A | -0.4271 | |
| 305 | D | A | -1.0798 | |
| 306 | V | A | 0.4641 | |
| 307 | K | A | -0.7090 | |
| 308 | V | A | 0.9899 | |
| 309 | P | A | 0.1774 | |
| 310 | P | A | -0.0317 | |
| 311 | T | A | 0.2251 | |
| 312 | P | A | 0.3250 | |
| 313 | L | A | 1.1757 | |
| 314 | P | A | -0.1055 | |
| 315 | T | A | -0.1347 | |
| 316 | N | A | -0.7454 | |
| 317 | D | A | -1.5705 | |
| 318 | V | A | 0.0000 | |
| 319 | D | A | -1.2935 | |
| 320 | V | A | -0.7393 | |
| 321 | Y | A | 0.0000 | |
| 322 | F | A | -0.7500 | |
| 323 | E | A | -1.7635 | |
| 324 | T | A | -1.1285 | |
| 325 | S | A | -1.0033 | |
| 326 | A | A | -1.6045 | |
| 327 | D | A | -2.8501 | |
| 328 | D | A | -3.1081 | |
| 329 | N | A | -2.8361 | |
| 330 | E | A | 0.0000 | |
| 331 | H | A | -1.5626 | |
| 332 | A | A | -1.3747 | |
| 333 | R | A | -1.9179 | |
| 334 | F | A | -1.3754 | |
| 335 | Q | A | -1.8716 | |
| 336 | K | A | -2.7021 | |
| 337 | A | A | 0.0000 | |
| 338 | K | A | -2.6044 | |
| 339 | E | A | -3.3087 | |
| 340 | Q | A | -2.5030 | |
| 341 | L | A | 0.0000 | |
| 342 | E | A | -3.1057 | |
| 343 | I | A | -1.5274 | |
| 344 | R | A | -1.8573 | |
| 345 | H | A | -2.7083 | |
| 346 | R | A | -3.3497 | |
| 347 | N | A | -3.1128 | |
| 348 | R | A | -2.5788 | |
| 349 | M | A | -3.0698 | |
| 350 | D | A | -4.5624 | |
| 351 | R | A | -4.7765 | |
| 352 | V | A | 0.0000 | |
| 353 | K | A | -4.3341 | |
| 354 | K | A | -5.3241 | |
| 355 | E | A | -4.7343 | |
| 356 | W | A | -3.5745 | |
| 357 | E | A | -4.2780 | |
| 358 | E | A | -3.9088 | |
| 359 | A | A | -2.7574 | |
| 360 | E | A | -2.6465 | |
| 361 | L | A | -1.4227 | |
| 362 | Q | A | -2.2268 | |
| 363 | A | A | 0.0000 | |
| 364 | K | A | -2.6673 | |
| 365 | N | A | -2.4962 | |
| 366 | L | A | -2.0913 | |
| 367 | P | A | -2.1126 | |
| 368 | K | A | -2.9838 | |
| 369 | T | A | -2.0895 | |
| 370 | E | A | -2.5886 | |
| 371 | R | A | -3.0517 | |
| 372 | Q | A | -2.3548 | |
| 373 | T | A | -1.8423 | |
| 374 | L | A | -1.3679 | |
| 375 | I | A | -0.8631 | |
| 376 | Q | A | -1.7851 | |
| 377 | H | A | -1.4820 | |
| 378 | F | A | 0.0000 | |
| 379 | Q | A | -1.2591 | |
| 380 | A | A | -1.1642 | |
| 381 | M | A | -0.7695 | |
| 382 | V | A | -1.4520 | |
| 383 | K | A | -2.5662 | |
| 384 | A | A | -1.7238 | |
| 385 | L | A | -1.8349 | |
| 386 | E | A | -2.6012 | |
| 387 | K | A | -2.9735 | |
| 388 | E | A | -2.7392 | |
| 389 | A | A | -2.7681 | |
| 390 | A | A | -2.2386 | |
| 391 | S | A | -1.9257 | |
| 392 | E | A | -2.0923 | |
| 393 | K | A | -2.2427 | |
| 394 | Q | A | -1.9922 | |
| 395 | Q | A | -1.8371 | |
| 396 | L | A | 0.0000 | |
| 397 | V | A | -0.6190 | |
| 398 | E | A | -1.0214 | |
| 399 | T | A | -0.3889 | |
| 400 | H | A | 0.0000 | |
| 401 | L | A | 0.2100 | |
| 402 | A | A | -0.0925 | |
| 403 | R | A | -0.4230 | |
| 404 | V | A | 0.0000 | |
| 405 | E | A | -0.4394 | |
| 406 | A | A | -0.4928 | |
| 407 | M | A | -1.1130 | |
| 408 | L | A | 0.0000 | |
| 409 | N | A | -0.9470 | |
| 410 | D | A | -1.6817 | |
| 411 | R | A | -1.6553 | |
| 412 | R | A | -1.5999 | |
| 413 | R | A | -1.3392 | |
| 414 | I | A | -0.8988 | |
| 415 | A | A | 0.0000 | |
| 416 | L | A | -0.9588 | |
| 417 | E | A | -1.0905 | |
| 418 | N | A | -1.8699 | |
| 419 | Y | A | 0.0000 | |
| 420 | L | A | -0.4354 | |
| 421 | A | A | -1.1490 | |
| 422 | A | A | 0.0000 | |
| 423 | L | A | 0.0000 | |
| 424 | Q | A | -2.0680 | |
| 425 | S | A | -1.8998 | |
| 426 | D | A | -2.4681 | |
| 427 | P | A | -1.8675 | |
| 428 | P | A | -1.8373 | |
| 429 | R | A | -2.4648 | |
| 430 | P | A | -2.0351 | |
| 431 | H | A | -2.4841 | |
| 432 | R | A | -2.7333 | |
| 433 | I | A | 0.0000 | |
| 434 | L | A | 0.0000 | |
| 435 | Q | A | -2.6123 | |
| 436 | A | A | 0.0000 | |
| 437 | L | A | 0.0000 | |
| 438 | R | A | -2.4418 | |
| 439 | R | A | -2.4538 | |
| 440 | Y | A | 0.0000 | |
| 441 | V | A | 0.0000 | |
| 442 | R | A | -2.5869 | |
| 443 | A | A | 0.0000 | |
| 444 | E | A | 0.0000 | |
| 445 | N | A | -1.8734 | |
| 446 | K | A | -1.8874 | |
| 447 | D | A | 0.0000 | |
| 448 | R | A | 0.0000 | |
| 449 | L | A | -1.0544 | |
| 450 | H | A | -1.2182 | |
| 451 | T | A | 0.0000 | |
| 452 | I | A | 0.0000 | |
| 453 | R | A | -2.2209 | |
| 454 | H | A | -1.4104 | |
| 455 | Y | A | 0.0000 | |
| 456 | Q | A | -1.7523 | |
| 457 | H | A | -0.8599 | |
| 458 | V | A | 0.0000 | |
| 459 | L | A | -0.7366 | |
| 460 | A | A | 0.2044 | |
| 461 | V | A | 0.0367 | |
| 462 | D | A | -1.5269 | |
| 463 | P | A | -1.5528 | |
| 464 | E | A | -2.8105 | |
| 465 | K | A | -2.8753 | |
| 466 | A | A | 0.0000 | |
| 467 | A | A | -1.9684 | |
| 468 | Q | A | -2.5495 | |
| 469 | M | A | 0.0000 | |
| 470 | K | A | -1.5208 | |
| 471 | S | A | -1.0297 | |
| 472 | Q | A | -1.0377 | |
| 473 | V | A | 0.0000 | |
| 474 | M | A | -0.4911 | |
| 475 | T | A | -0.5812 | |
| 476 | H | A | -0.7457 | |
| 477 | L | A | 0.0000 | |
| 478 | H | A | -1.4816 | |
| 479 | V | A | -0.9664 | |
| 480 | I | A | 0.0000 | |
| 481 | E | A | -2.1534 | |
| 482 | E | A | -1.9774 | |
| 483 | R | A | 0.0000 | |
| 484 | R | A | -1.2744 | |
| 485 | N | A | -1.2652 | |
| 486 | Q | A | -0.9585 | |
| 487 | S | A | 0.0000 | |
| 488 | L | A | 0.0424 | |
| 489 | S | A | 0.0463 | |
| 490 | L | A | 0.2345 | |
| 491 | L | A | 0.0000 | |
| 492 | Y | A | 0.5765 | |
| 493 | K | A | -1.0116 | |
| 494 | V | A | 0.0000 | |
| 495 | P | A | -0.1624 | |
| 496 | Y | A | 0.2854 | |
| 497 | V | A | 0.0000 | |
| 498 | A | A | -1.0572 | |
| 499 | Q | A | -1.9955 | |
| 500 | E | A | -2.7963 | |
| 501 | I | A | 0.0000 | |
| 502 | Q | A | -3.2965 | |
| 503 | E | A | -4.0084 | |
| 504 | E | A | -3.4423 | |
| 505 | I | A | 0.0000 | |
| 506 | D | A | -4.0927 | |
| 507 | E | A | -4.2514 | |
| 508 | L | A | 0.0000 | |
| 509 | L | A | -2.8037 | |
| 510 | Q | A | -3.9144 | |
| 511 | E | A | -3.7618 | |
| 512 | Q | A | 0.0000 | |
| 513 | R | A | -3.6847 | |
| 514 | A | A | -3.0214 | |
| 515 | D | A | -3.1477 | |
| 516 | M | A | -2.4605 | |
| 517 | D | A | -3.1247 | |
| 518 | Q | A | -2.6184 | |
| 519 | F | A | -1.5521 | |
| 520 | T | A | -1.3093 | |
| 521 | S | A | -1.6263 | |
| 522 | S | A | -1.5782 | |
| 523 | I | A | -1.1291 | |
| 524 | S | A | -1.4195 | |
| 525 | E | A | -2.3588 | |
| 526 | N | A | -2.0257 | |
| 527 | P | A | -0.6983 | |
| 528 | V | A | 0.4120 | |
| 529 | D | A | -0.6375 | |
| 530 | V | A | 0.8964 | |
| 531 | R | A | -0.5135 | |
| 532 | V | A | 0.7897 | |
| 533 | S | A | -0.4294 | |
| 534 | S | A | -1.3885 | |
| 535 | E | A | -2.7044 | |
| 536 | E | A | -3.2467 | |
| 537 | S | A | -2.7157 | |
| 538 | E | A | -2.8437 | |
| 539 | E | A | -1.8850 | |
| 540 | I | A | 0.5992 | |
| 541 | P | A | 0.6313 | |
| 542 | P | A | 0.8299 | |
| 543 | F | A | 1.2389 | |
| 544 | H | A | 0.0345 | |
| 545 | P | A | 0.2823 | |
| 546 | L | A | 0.6448 | |
| 547 | H | A | -0.0755 | |
| 548 | P | A | 0.4023 | |
| 549 | F | A | 1.4046 | |
| 550 | P | A | 0.9158 | |
| 551 | S | A | 0.7363 | |
| 552 | L | A | 0.8867 | |
| 553 | S | A | -0.5890 | |
| 554 | E | A | -2.6224 | |
| 555 | N | A | -3.4801 | |
| 556 | E | A | -3.7329 | |
| 557 | D | A | -3.2355 | |
| 558 | T | A | -2.0211 | |
| 559 | Q | A | -2.1201 | |
| 560 | P | A | -1.4595 | |
| 561 | E | A | -1.1757 | |
| 562 | L | A | 1.0522 | |
| 563 | Y | A | 1.2077 | |
| 564 | H | A | 0.0499 | |
| 565 | P | A | -0.3747 | |
| 566 | M | A | -0.4486 | |
| 567 | K | A | -2.2162 | |
| 568 | K | A | -2.5947 | |
| 569 | G | A | -1.8535 | |
| 570 | S | A | -1.0480 | |
| 571 | G | A | -0.1615 | |
| 572 | M | A | 0.4061 | |
| 573 | A | A | -0.6981 | |
| 574 | E | A | -2.4739 | |
| 575 | Q | A | -3.0268 | |
| 576 | D | A | -2.8509 | |
| 577 | G | A | -1.1978 | |
| 578 | G | A | 0.1201 | |
| 579 | L | A | 1.5831 | |
| 580 | I | A | 2.0810 | |
| 581 | G | A | 0.2694 | |
| 582 | A | A | -0.1406 | |
| 583 | E | A | -1.2133 | |
| 584 | E | A | -1.9838 | |
| 585 | K | A | -1.9476 | |
| 586 | V | A | -0.1927 | |
| 587 | I | A | -0.9205 | |
| 588 | N | A | -2.2683 | |
| 589 | S | A | -1.9822 | |
| 590 | K | A | -2.5965 | |
| 591 | N | A | -3.0417 | |
| 592 | K | A | -3.0696 | |
| 593 | M | A | -1.7098 | |
| 594 | D | A | -3.0608 | |
| 595 | E | A | -3.2008 | |
| 596 | N | A | -1.5433 | |
| 597 | M | A | 1.1424 | |
| 598 | V | A | 2.5393 | |
| 599 | I | A | 1.8574 | |
| 600 | D | A | -1.0421 | |
| 601 | E | A | -2.0442 | |
| 602 | T | A | -0.7122 | |
| 603 | L | A | -0.0416 | |
| 604 | D | A | -1.2529 | |
| 605 | V | A | -0.0008 | |
| 606 | K | A | -1.6021 | |
| 607 | E | A | -1.0911 | |
| 608 | M | A | 1.2675 | |
| 609 | I | A | 2.3892 | |
| 610 | F | A | 2.3745 | |
| 611 | N | A | -0.0264 | |
| 612 | A | A | -1.1052 | |
| 613 | E | A | -2.5993 | |
| 614 | R | A | -1.8950 | |
| 615 | V | A | 0.1127 | |
| 616 | G | A | 0.1093 | |
| 617 | G | A | 0.1079 | |
| 618 | L | A | -0.0591 | |
| 619 | E | A | -2.6245 | |
| 620 | E | A | -3.4701 | |
| 621 | E | A | -3.6680 | |
| 622 | P | A | -2.7873 | |
| 623 | E | A | -2.0741 | |
| 624 | S | A | -0.5420 | |
| 625 | V | A | 0.9930 | |
| 626 | G | A | 0.5780 | |
| 627 | P | A | 0.2043 | |
| 628 | L | A | -0.1608 | |
| 629 | R | A | -2.2924 | |
| 630 | E | A | -2.7850 | |
| 631 | D | A | -2.0051 | |
| 632 | F | A | 0.5496 | |
| 633 | S | A | 0.4392 | |
| 634 | L | A | 0.9847 | |
| 635 | S | A | 0.4230 | |
| 636 | S | A | 0.0873 | |
| 637 | N | A | -0.0934 | |
| 638 | A | A | 1.1844 | |
| 639 | L | A | 2.7571 | |
| 640 | I | A | 3.5962 | |
| 641 | G | A | 3.0537 | |
| 642 | L | A | 4.5035 | |
| 643 | L | A | 5.3442 | |
| 644 | V | A | 5.4299 | |
| 645 | I | A | 5.1970 | |
| 646 | A | A | 4.0103 | |
| 647 | V | A | 4.6590 | |
| 648 | A | A | 4.0265 | |
| 649 | I | A | 4.6659 | |
| 650 | A | A | 3.8492 | |
| 651 | T | A | 3.6082 | |
| 652 | V | A | 4.7883 | |
| 653 | I | A | 4.9334 | |
| 654 | V | A | 4.9797 | |
| 655 | I | A | 4.6095 | |
| 656 | S | A | 3.3707 | |
| 657 | L | A | 3.0710 | |
| 658 | V | A | 2.1978 | |
| 659 | M | A | 1.4594 | |
| 660 | L | A | 0.9191 | |
| 661 | R | A | -1.6353 | |
| 662 | K | A | -2.5812 | |
| 663 | R | A | -2.8867 | |
| 664 | Q | A | -2.5123 | |
| 665 | Y | A | -0.8624 | |
| 666 | G | A | -0.6653 | |
| 667 | T | A | -0.3650 | |
| 668 | I | A | 0.0261 | |
| 669 | S | A | 0.3242 | |
| 670 | H | A | -0.1873 | |
| 671 | G | A | 0.4708 | |
| 672 | I | A | 2.4695 | |
| 673 | V | A | 2.2367 | |
| 674 | E | A | 1.2859 | |
| 675 | V | A | 0.5543 | |
| 676 | D | A | -0.0498 | |
| 677 | P | A | -0.1638 | |
| 678 | M | A | 0.0521 | |
| 679 | L | A | -0.5954 | |
| 680 | T | A | -0.9718 | |
| 681 | P | A | -1.4495 | |
| 682 | E | A | -2.4688 | |
| 683 | E | A | -1.7558 | |
| 684 | R | A | -1.9160 | |
| 685 | H | A | -2.2142 | |
| 686 | L | A | -0.6723 | |
| 687 | N | A | -1.8552 | |
| 688 | K | A | -2.5379 | |
| 689 | M | A | -1.6387 | |
| 690 | Q | A | -2.4887 | |
| 691 | N | A | -2.3177 | |
| 692 | H | A | -2.3490 | |
| 693 | G | A | -1.7929 | |
| 694 | Y | A | -0.8310 | |
| 695 | E | A | -2.0156 | |
| 696 | N | A | -1.1537 | |
| 697 | P | A | -0.7449 | |
| 698 | T | A | -0.2324 | |
| 699 | Y | A | 0.0160 | |
| 700 | K | A | -1.5892 | |
| 701 | Y | A | 0.2733 | |
| 702 | L | A | 0.3828 | |
| 703 | E | A | -1.4974 | |
| 704 | Q | A | -0.9124 | |
| 705 | M | A | 0.3711 | |
| 706 | Q | A | -0.4113 | |
| 707 | I | A | 1.0854 |
Calculations for various pH values
This page contains details and comparisons for all models calculated at different pH points.
pH |
Average A3D Score |
Max A3D Score |
|||
| 4.0 | -0.2886 | 6.9578 | View | CSV | PDB |
| 4.5 | -0.4193 | 6.9578 | View | CSV | PDB |
| 5.0 | -0.5912 | 6.9578 | View | CSV | PDB |
| 5.5 | -0.7746 | 6.9578 | View | CSV | PDB |
| 6.0 | -0.939 | 6.9578 | View | CSV | PDB |
| 6.5 | -1.0609 | 6.9578 | View | CSV | PDB |
| 7.0 | -1.1308 | 6.9578 | View | CSV | PDB |
| 7.5 | -1.1585 | 6.9578 | View | CSV | PDB |
| 8.0 | -1.1615 | 6.9578 | View | CSV | PDB |
| 8.5 | -1.1492 | 6.9578 | View | CSV | PDB |
| 9.0 | -1.1216 | 6.9578 | 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