| Chain sequence(s) | MAFPHRLDAPELPDFSMLKRLARDQLIYLLEQLPGKKDLFIEADLMSPLDRIANVSILKQHEVDKLYKVENKLTLSSNEQLCFLVRPRIKTMRYIANLVNADKLAGRVRKYKIILSPQKFYACEMVLEEEGVYGDVSCDEWAFSLLPLDVDLLSMELPEFFRDYFLEGDQRWINTVAQALHLLSTLYGPFPNCYGIGRCTKMSYDLWRKLEEEEDSETKGRRPEIGHIFLLDRDVDFVTALCSQVVYEGLVDDTFRIKCGSVDFGPEVTSSDKSLKVLLNAEDKVFSEIRNEHFSNVFGFLSQKARNLQAQYDRRRGMDIKQMKNFVSQELKGLKQEHRLLSLHIGACESIMKKKTKQDFQELIKTEHALLEGFNIRESTSYIEEHIDRQVSPIESLRLMCLLSITENGLIPKDYRSLKTQYLQSYGPEHLLTFSNLRRAGLLTEQASGDTLTAVENKVSKLVTDKAAGKITDAFSSLAKRSNFRAISKKLNLIPRVDGEYDLKVPRDMAYVFSGAYVPLSCRIIEQVLDRRSWQGLDEVVRLLNCSDFAFTDMAKEDKASSESLRLILVVFLGGCTFSEISALRFLGREKGYRFIFLTTAVTNSARLMEAMSEVKS 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] (00:00:02)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:02)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with A chain(s) selected (00:00:02)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:02)
[INFO] PDB-Info: The input structure is globular. Max score is recommended for pH analysis. (00:00:07)
[INFO] FoldX: Starting FoldX energy minimization (00:00:08)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:24:30)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/4fca94db4a726/tmp/folded.pdb (00:24:30)
[INFO] Main: Simulation completed successfully. (00:34:35)
|
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 | 1.4732 | |
| 2 | A | A | 0.8967 | |
| 3 | F | A | 1.4429 | |
| 4 | P | A | 0.1083 | |
| 5 | H | A | -0.7027 | |
| 6 | R | A | -1.1650 | |
| 7 | L | A | 0.5553 | |
| 8 | D | A | -1.2554 | |
| 9 | A | A | -1.4735 | |
| 10 | P | A | 0.0000 | |
| 11 | E | A | -2.4875 | |
| 12 | L | A | -1.2123 | |
| 13 | P | A | 0.0000 | |
| 14 | D | A | -1.7738 | |
| 15 | F | A | 0.0000 | |
| 16 | S | A | -0.9954 | |
| 17 | M | A | -0.8900 | |
| 18 | L | A | 0.0000 | |
| 19 | K | A | -1.5175 | |
| 20 | R | A | -2.2187 | |
| 21 | L | A | -0.8442 | |
| 22 | A | A | 0.0000 | |
| 23 | R | A | -1.6142 | |
| 24 | D | A | -1.3460 | |
| 25 | Q | A | -0.9863 | |
| 26 | L | A | 0.0000 | |
| 27 | I | A | -0.4878 | |
| 28 | Y | A | -0.0233 | |
| 29 | L | A | 0.0000 | |
| 30 | L | A | 0.0000 | |
| 31 | E | A | -2.2122 | |
| 32 | Q | A | -1.8346 | |
| 33 | L | A | 0.0000 | |
| 34 | P | A | -1.7488 | |
| 35 | G | A | -1.9555 | |
| 36 | K | A | -2.7155 | |
| 37 | K | A | 0.0000 | |
| 38 | D | A | 0.0000 | |
| 39 | L | A | 0.0000 | |
| 40 | F | A | 0.0000 | |
| 41 | I | A | 0.0000 | |
| 42 | E | A | 0.0000 | |
| 43 | A | A | -0.6529 | |
| 44 | D | A | -0.8930 | |
| 45 | L | A | 0.0000 | |
| 46 | M | A | -0.5879 | |
| 47 | S | A | -1.1045 | |
| 48 | P | A | 0.0000 | |
| 49 | L | A | 0.0000 | |
| 50 | D | A | -1.8766 | |
| 51 | R | A | -1.4200 | |
| 52 | I | A | 0.0000 | |
| 53 | A | A | 0.0000 | |
| 54 | N | A | -1.2064 | |
| 55 | V | A | -0.1722 | |
| 56 | S | A | -0.5793 | |
| 57 | I | A | -0.9823 | |
| 58 | L | A | 0.0000 | |
| 59 | K | A | -2.7904 | |
| 60 | Q | A | -2.1909 | |
| 61 | H | A | -2.2732 | |
| 62 | E | A | -3.1561 | |
| 63 | V | A | 0.0000 | |
| 64 | D | A | -1.9934 | |
| 65 | K | A | -1.2825 | |
| 66 | L | A | -0.2154 | |
| 67 | Y | A | -0.3960 | |
| 68 | K | A | -1.7631 | |
| 69 | V | A | -1.4449 | |
| 70 | E | A | -2.5882 | |
| 71 | N | A | -2.7640 | |
| 72 | K | A | -2.1255 | |
| 73 | L | A | -0.0214 | |
| 74 | T | A | 0.3077 | |
| 75 | L | A | 1.5889 | |
| 76 | S | A | 0.0000 | |
| 77 | S | A | -0.3739 | |
| 78 | N | A | 0.0000 | |
| 79 | E | A | -2.6018 | |
| 80 | Q | A | -1.8713 | |
| 81 | L | A | 0.0000 | |
| 82 | C | A | 0.0000 | |
| 83 | F | A | 0.0000 | |
| 84 | L | A | 0.0000 | |
| 85 | V | A | 0.0000 | |
| 86 | R | A | 0.0000 | |
| 87 | P | A | 0.0000 | |
| 88 | R | A | -1.1314 | |
| 89 | I | A | -0.9142 | |
| 90 | K | A | -2.3284 | |
| 91 | T | A | 0.0000 | |
| 92 | M | A | 0.0000 | |
| 93 | R | A | -2.9531 | |
| 94 | Y | A | -2.0889 | |
| 95 | I | A | 0.0000 | |
| 96 | A | A | 0.0000 | |
| 97 | N | A | -1.9732 | |
| 98 | L | A | 0.0000 | |
| 99 | V | A | 0.0000 | |
| 100 | N | A | -1.5288 | |
| 101 | A | A | -0.6977 | |
| 102 | D | A | -1.2264 | |
| 103 | K | A | -1.8129 | |
| 104 | L | A | 0.1494 | |
| 105 | A | A | -0.4432 | |
| 106 | G | A | -1.1257 | |
| 107 | R | A | -1.8683 | |
| 108 | V | A | -0.6673 | |
| 109 | R | A | -1.9349 | |
| 110 | K | A | -2.1290 | |
| 111 | Y | A | 0.0000 | |
| 112 | K | A | 0.0000 | |
| 113 | I | A | 0.0000 | |
| 114 | I | A | 0.0000 | |
| 115 | L | A | 0.0000 | |
| 116 | S | A | 0.0000 | |
| 117 | P | A | 0.0000 | |
| 118 | Q | A | -0.9511 | |
| 119 | K | A | -0.9112 | |
| 120 | F | A | 0.0000 | |
| 121 | Y | A | 1.2512 | |
| 122 | A | A | 0.6067 | |
| 123 | C | A | 0.0000 | |
| 124 | E | A | -0.1556 | |
| 125 | M | A | -0.1038 | |
| 126 | V | A | -1.2975 | |
| 127 | L | A | 0.0000 | |
| 128 | E | A | -2.9225 | |
| 129 | E | A | -3.1311 | |
| 130 | E | A | -2.9019 | |
| 131 | G | A | -2.2065 | |
| 132 | V | A | 0.0000 | |
| 133 | Y | A | -1.3399 | |
| 134 | G | A | -1.4169 | |
| 135 | D | A | -2.3642 | |
| 136 | V | A | -1.1199 | |
| 137 | S | A | -0.7060 | |
| 138 | C | A | -0.4167 | |
| 139 | D | A | -1.1621 | |
| 140 | E | A | -1.4486 | |
| 141 | W | A | 0.0000 | |
| 142 | A | A | -0.4860 | |
| 143 | F | A | 0.0000 | |
| 144 | S | A | 0.0000 | |
| 145 | L | A | 0.0000 | |
| 146 | L | A | 0.0000 | |
| 147 | P | A | 0.0000 | |
| 148 | L | A | 0.0000 | |
| 149 | D | A | 0.0000 | |
| 150 | V | A | 0.6945 | |
| 151 | D | A | 0.0000 | |
| 152 | L | A | 0.0000 | |
| 153 | L | A | 0.0000 | |
| 154 | S | A | 0.0000 | |
| 155 | M | A | 0.0000 | |
| 156 | E | A | -0.6345 | |
| 157 | L | A | 0.0000 | |
| 158 | P | A | -0.6383 | |
| 159 | E | A | -0.6520 | |
| 160 | F | A | 0.0000 | |
| 161 | F | A | 0.0000 | |
| 162 | R | A | -1.2078 | |
| 163 | D | A | -1.6843 | |
| 164 | Y | A | -1.3625 | |
| 165 | F | A | -1.3287 | |
| 166 | L | A | 0.0000 | |
| 167 | E | A | -2.6145 | |
| 168 | G | A | -1.8793 | |
| 169 | D | A | -1.9767 | |
| 170 | Q | A | -2.1150 | |
| 171 | R | A | -1.6159 | |
| 172 | W | A | 0.0000 | |
| 173 | I | A | 0.0000 | |
| 174 | N | A | -1.3223 | |
| 175 | T | A | 0.0000 | |
| 176 | V | A | 0.0000 | |
| 177 | A | A | 0.0000 | |
| 178 | Q | A | -0.6986 | |
| 179 | A | A | 0.0000 | |
| 180 | L | A | 0.0000 | |
| 181 | H | A | -0.4408 | |
| 182 | L | A | 0.1637 | |
| 183 | L | A | 0.0000 | |
| 184 | S | A | 0.0000 | |
| 185 | T | A | -0.6360 | |
| 186 | L | A | -0.0761 | |
| 187 | Y | A | 0.0000 | |
| 188 | G | A | 0.0000 | |
| 189 | P | A | -1.5365 | |
| 190 | F | A | 0.0000 | |
| 191 | P | A | 0.0000 | |
| 192 | N | A | 0.0000 | |
| 193 | C | A | 0.0000 | |
| 194 | Y | A | 0.0000 | |
| 195 | G | A | 0.0000 | |
| 196 | I | A | 0.0000 | |
| 197 | G | A | 0.0000 | |
| 198 | R | A | -2.2107 | |
| 199 | C | A | 0.0000 | |
| 200 | T | A | 0.0000 | |
| 201 | K | A | -1.6643 | |
| 202 | M | A | -1.3469 | |
| 203 | S | A | 0.0000 | |
| 204 | Y | A | 0.0000 | |
| 205 | D | A | -2.1128 | |
| 206 | L | A | -1.7359 | |
| 207 | W | A | 0.0000 | |
| 208 | R | A | -2.5942 | |
| 209 | K | A | -3.4311 | |
| 210 | L | A | -2.5155 | |
| 211 | E | A | -3.0173 | |
| 212 | E | A | -3.9655 | |
| 213 | E | A | -3.9126 | |
| 214 | E | A | -3.6589 | |
| 215 | D | A | -3.7399 | |
| 216 | S | A | -3.1867 | |
| 217 | E | A | -3.4152 | |
| 218 | T | A | -3.0456 | |
| 219 | K | A | -3.7614 | |
| 220 | G | A | -3.0654 | |
| 221 | R | A | -4.0862 | |
| 222 | R | A | -4.2239 | |
| 223 | P | A | 0.0000 | |
| 224 | E | A | -2.4728 | |
| 225 | I | A | 0.0000 | |
| 226 | G | A | 0.0000 | |
| 227 | H | A | 0.0000 | |
| 228 | I | A | 0.0000 | |
| 229 | F | A | 0.0000 | |
| 230 | L | A | 0.0000 | |
| 231 | L | A | 0.0000 | |
| 232 | D | A | 0.0000 | |
| 233 | R | A | 0.0000 | |
| 234 | D | A | -1.2907 | |
| 235 | V | A | 0.0000 | |
| 236 | D | A | 0.0000 | |
| 237 | F | A | -0.1256 | |
| 238 | V | A | 0.0000 | |
| 239 | T | A | 0.0000 | |
| 240 | A | A | 0.0000 | |
| 241 | L | A | 0.0000 | |
| 242 | C | A | 0.0000 | |
| 243 | S | A | 0.0000 | |
| 244 | Q | A | 0.0000 | |
| 245 | V | A | 0.0000 | |
| 246 | V | A | 0.0000 | |
| 247 | Y | A | 0.0000 | |
| 248 | E | A | 0.0000 | |
| 249 | G | A | 0.0000 | |
| 250 | L | A | 0.0000 | |
| 251 | V | A | 0.0000 | |
| 252 | D | A | 0.0000 | |
| 253 | D | A | -0.9656 | |
| 254 | T | A | -0.6095 | |
| 255 | F | A | -1.0222 | |
| 256 | R | A | -1.8323 | |
| 257 | I | A | 0.0000 | |
| 258 | K | A | -2.1971 | |
| 259 | C | A | 0.0000 | |
| 260 | G | A | 0.0000 | |
| 261 | S | A | 0.0000 | |
| 262 | V | A | 0.0000 | |
| 263 | D | A | -2.7972 | |
| 264 | F | A | 0.0000 | |
| 265 | G | A | -2.1560 | |
| 266 | P | A | -2.4547 | |
| 267 | E | A | -2.6236 | |
| 268 | V | A | 0.0000 | |
| 269 | T | A | -1.7097 | |
| 270 | S | A | -1.5474 | |
| 271 | S | A | -2.0216 | |
| 272 | D | A | -3.0243 | |
| 273 | K | A | -3.0839 | |
| 274 | S | A | -2.4885 | |
| 275 | L | A | -1.7785 | |
| 276 | K | A | -2.4489 | |
| 277 | V | A | 0.0000 | |
| 278 | L | A | -0.5761 | |
| 279 | L | A | 0.0000 | |
| 280 | N | A | 0.0000 | |
| 281 | A | A | -1.0476 | |
| 282 | E | A | -1.9957 | |
| 283 | D | A | 0.0000 | |
| 284 | K | A | -2.3510 | |
| 285 | V | A | 0.0000 | |
| 286 | F | A | 0.0000 | |
| 287 | S | A | -1.5645 | |
| 288 | E | A | -1.2220 | |
| 289 | I | A | 0.0000 | |
| 290 | R | A | 0.0000 | |
| 291 | N | A | -0.6152 | |
| 292 | E | A | -0.6822 | |
| 293 | H | A | 0.0000 | |
| 294 | F | A | 0.1928 | |
| 295 | S | A | -0.1637 | |
| 296 | N | A | 0.0000 | |
| 297 | V | A | 0.0000 | |
| 298 | F | A | 0.5996 | |
| 299 | G | A | 0.1560 | |
| 300 | F | A | 0.7952 | |
| 301 | L | A | 0.0000 | |
| 302 | S | A | -0.7938 | |
| 303 | Q | A | -1.8641 | |
| 304 | K | A | -1.6044 | |
| 305 | A | A | -1.9084 | |
| 306 | R | A | -3.1733 | |
| 307 | N | A | -2.7555 | |
| 308 | L | A | 0.0000 | |
| 309 | Q | A | -2.2701 | |
| 310 | A | A | -1.8399 | |
| 311 | Q | A | -1.7051 | |
| 312 | Y | A | -1.8152 | |
| 313 | D | A | -2.0373 | |
| 314 | R | A | -2.4501 | |
| 315 | R | A | -2.4821 | |
| 316 | R | A | -2.9569 | |
| 317 | G | A | -2.0743 | |
| 318 | M | A | -2.2130 | |
| 319 | D | A | -2.0087 | |
| 320 | I | A | -0.4260 | |
| 321 | K | A | -2.5184 | |
| 322 | Q | A | -2.5954 | |
| 323 | M | A | -1.9832 | |
| 324 | K | A | -2.6288 | |
| 325 | N | A | -2.6977 | |
| 326 | F | A | 0.0000 | |
| 327 | V | A | -0.9287 | |
| 328 | S | A | -1.6161 | |
| 329 | Q | A | -2.3756 | |
| 330 | E | A | -2.2123 | |
| 331 | L | A | -1.8401 | |
| 332 | K | A | -2.9185 | |
| 333 | G | A | -2.7178 | |
| 334 | L | A | 0.0000 | |
| 335 | K | A | -3.2791 | |
| 336 | Q | A | -3.1801 | |
| 337 | E | A | -2.5729 | |
| 338 | H | A | -2.4547 | |
| 339 | R | A | -2.8089 | |
| 340 | L | A | -1.5553 | |
| 341 | L | A | 0.0000 | |
| 342 | S | A | -0.8480 | |
| 343 | L | A | 0.0000 | |
| 344 | H | A | 0.0000 | |
| 345 | I | A | 0.2352 | |
| 346 | G | A | -0.6170 | |
| 347 | A | A | 0.0000 | |
| 348 | C | A | 0.0000 | |
| 349 | E | A | -1.5212 | |
| 350 | S | A | -1.5735 | |
| 351 | I | A | 0.0000 | |
| 352 | M | A | -1.0915 | |
| 353 | K | A | -2.7285 | |
| 354 | K | A | -2.7876 | |
| 355 | K | A | -2.4319 | |
| 356 | T | A | -2.7144 | |
| 357 | K | A | -3.4877 | |
| 358 | Q | A | -3.4018 | |
| 359 | D | A | -3.5281 | |
| 360 | F | A | -2.5381 | |
| 361 | Q | A | -2.8049 | |
| 362 | E | A | -2.8797 | |
| 363 | L | A | 0.0000 | |
| 364 | I | A | -1.5808 | |
| 365 | K | A | -2.3208 | |
| 366 | T | A | 0.0000 | |
| 367 | E | A | 0.0000 | |
| 368 | H | A | -0.7996 | |
| 369 | A | A | -0.6361 | |
| 370 | L | A | 0.0000 | |
| 371 | L | A | 0.0000 | |
| 372 | E | A | -0.5969 | |
| 373 | G | A | 0.0432 | |
| 374 | F | A | 0.5597 | |
| 375 | N | A | -1.4753 | |
| 376 | I | A | -1.2227 | |
| 377 | R | A | -2.6537 | |
| 378 | E | A | -2.7991 | |
| 379 | S | A | 0.0000 | |
| 380 | T | A | -1.8335 | |
| 381 | S | A | -1.9121 | |
| 382 | Y | A | -1.6664 | |
| 383 | I | A | 0.0000 | |
| 384 | E | A | -2.5201 | |
| 385 | E | A | -3.0805 | |
| 386 | H | A | 0.0000 | |
| 387 | I | A | 0.0000 | |
| 388 | D | A | -3.8033 | |
| 389 | R | A | -3.4711 | |
| 390 | Q | A | -2.4315 | |
| 391 | V | A | -1.0443 | |
| 392 | S | A | -0.3760 | |
| 393 | P | A | -0.1132 | |
| 394 | I | A | -0.0322 | |
| 395 | E | A | -0.2394 | |
| 396 | S | A | 0.0000 | |
| 397 | L | A | 0.0000 | |
| 398 | R | A | 0.0000 | |
| 399 | L | A | 0.0000 | |
| 400 | M | A | 0.0000 | |
| 401 | C | A | 0.0000 | |
| 402 | L | A | 0.0000 | |
| 403 | L | A | 0.0000 | |
| 404 | S | A | 0.0000 | |
| 405 | I | A | -0.1462 | |
| 406 | T | A | 0.0000 | |
| 407 | E | A | -1.1682 | |
| 408 | N | A | -1.6654 | |
| 409 | G | A | 0.0000 | |
| 410 | L | A | 0.0000 | |
| 411 | I | A | -0.8066 | |
| 412 | P | A | -1.7236 | |
| 413 | K | A | -2.7743 | |
| 414 | D | A | -2.3420 | |
| 415 | Y | A | 0.0000 | |
| 416 | R | A | -2.9782 | |
| 417 | S | A | -2.0327 | |
| 418 | L | A | 0.0000 | |
| 419 | K | A | -1.5215 | |
| 420 | T | A | -1.2314 | |
| 421 | Q | A | -1.7716 | |
| 422 | Y | A | 0.0000 | |
| 423 | L | A | -0.7554 | |
| 424 | Q | A | -1.5754 | |
| 425 | S | A | -1.7090 | |
| 426 | Y | A | -1.0098 | |
| 427 | G | A | -0.7753 | |
| 428 | P | A | -0.7626 | |
| 429 | E | A | -1.2354 | |
| 430 | H | A | 0.0000 | |
| 431 | L | A | 1.0783 | |
| 432 | L | A | 0.9693 | |
| 433 | T | A | 0.0000 | |
| 434 | F | A | 0.0000 | |
| 435 | S | A | -0.6144 | |
| 436 | N | A | 0.0000 | |
| 437 | L | A | 0.0000 | |
| 438 | R | A | -2.8720 | |
| 439 | R | A | -3.0677 | |
| 440 | A | A | -2.0374 | |
| 441 | G | A | -1.8383 | |
| 442 | L | A | 0.0000 | |
| 443 | L | A | 0.0000 | |
| 444 | T | A | -1.3660 | |
| 445 | E | A | -1.6028 | |
| 446 | Q | A | -1.0342 | |
| 447 | A | A | -0.8535 | |
| 448 | S | A | -0.6449 | |
| 449 | G | A | -0.7943 | |
| 450 | D | A | -2.3014 | |
| 451 | T | A | -0.7230 | |
| 452 | L | A | 0.4263 | |
| 453 | T | A | -0.3104 | |
| 454 | A | A | -0.5241 | |
| 455 | V | A | -0.0898 | |
| 456 | E | A | -2.0666 | |
| 457 | N | A | -2.2958 | |
| 458 | K | A | -1.5578 | |
| 459 | V | A | -0.2064 | |
| 460 | S | A | -0.9033 | |
| 461 | K | A | -1.7826 | |
| 462 | L | A | -0.2257 | |
| 463 | V | A | 0.7064 | |
| 464 | T | A | -0.6887 | |
| 465 | D | A | -2.1708 | |
| 466 | K | A | -2.3394 | |
| 467 | A | A | -1.5510 | |
| 468 | A | A | -1.2429 | |
| 469 | G | A | -1.5760 | |
| 470 | K | A | -2.0935 | |
| 471 | I | A | -0.8278 | |
| 472 | T | A | -0.6747 | |
| 473 | D | A | -1.6119 | |
| 474 | A | A | -0.1816 | |
| 475 | F | A | 1.2552 | |
| 476 | S | A | 0.0282 | |
| 477 | S | A | -0.0664 | |
| 478 | L | A | 0.1715 | |
| 479 | A | A | -0.7826 | |
| 480 | K | A | -2.7932 | |
| 481 | R | A | -3.1596 | |
| 482 | S | A | 0.0000 | |
| 483 | N | A | -1.7475 | |
| 484 | F | A | 0.0000 | |
| 485 | R | A | -1.7507 | |
| 486 | A | A | -1.7729 | |
| 487 | I | A | 0.0000 | |
| 488 | S | A | 0.0000 | |
| 489 | K | A | -2.7478 | |
| 490 | K | A | -2.6123 | |
| 491 | L | A | 0.0000 | |
| 492 | N | A | -2.4130 | |
| 493 | L | A | 0.0000 | |
| 494 | I | A | -1.0955 | |
| 495 | P | A | -1.4721 | |
| 496 | R | A | -2.1929 | |
| 497 | V | A | -1.9744 | |
| 498 | D | A | -2.5698 | |
| 499 | G | A | -2.4749 | |
| 500 | E | A | -2.6735 | |
| 501 | Y | A | -2.2505 | |
| 502 | D | A | -2.3839 | |
| 503 | L | A | -1.4007 | |
| 504 | K | A | -1.5626 | |
| 505 | V | A | -0.0166 | |
| 506 | P | A | -1.0585 | |
| 507 | R | A | -2.2203 | |
| 508 | D | A | -1.2580 | |
| 509 | M | A | 0.0000 | |
| 510 | A | A | 0.0000 | |
| 511 | Y | A | 0.0000 | |
| 512 | V | A | 0.0000 | |
| 513 | F | A | 0.0000 | |
| 514 | S | A | -0.2192 | |
| 515 | G | A | -0.9102 | |
| 516 | A | A | -0.5116 | |
| 517 | Y | A | 0.0000 | |
| 518 | V | A | 0.0000 | |
| 519 | P | A | 0.0000 | |
| 520 | L | A | 0.0000 | |
| 521 | S | A | 0.0000 | |
| 522 | C | A | 0.0000 | |
| 523 | R | A | -0.5480 | |
| 524 | I | A | 0.0000 | |
| 525 | I | A | 0.0000 | |
| 526 | E | A | -1.2456 | |
| 527 | Q | A | -1.5469 | |
| 528 | V | A | 0.0000 | |
| 529 | L | A | 0.0000 | |
| 530 | D | A | -2.7334 | |
| 531 | R | A | -2.5001 | |
| 532 | R | A | -2.3074 | |
| 533 | S | A | -1.5242 | |
| 534 | W | A | 0.0000 | |
| 535 | Q | A | -2.3202 | |
| 536 | G | A | -1.9548 | |
| 537 | L | A | 0.0000 | |
| 538 | D | A | -3.4683 | |
| 539 | E | A | -3.4171 | |
| 540 | V | A | 0.0000 | |
| 541 | V | A | 0.0000 | |
| 542 | R | A | -3.2499 | |
| 543 | L | A | -1.7258 | |
| 544 | L | A | -1.4762 | |
| 545 | N | A | -2.0958 | |
| 546 | C | A | -1.5739 | |
| 547 | S | A | -1.6913 | |
| 548 | D | A | -1.6061 | |
| 549 | F | A | -0.1579 | |
| 550 | A | A | 0.0782 | |
| 551 | F | A | 0.5500 | |
| 552 | T | A | 0.1005 | |
| 553 | D | A | -0.1735 | |
| 554 | M | A | -0.0589 | |
| 555 | A | A | -0.8581 | |
| 556 | K | A | -2.3084 | |
| 557 | E | A | -1.9988 | |
| 558 | D | A | -2.9417 | |
| 559 | K | A | -3.5974 | |
| 560 | A | A | -2.6188 | |
| 561 | S | A | -1.7079 | |
| 562 | S | A | -1.1977 | |
| 563 | E | A | -1.7223 | |
| 564 | S | A | 0.0000 | |
| 565 | L | A | -0.5073 | |
| 566 | R | A | -1.1123 | |
| 567 | L | A | 0.0000 | |
| 568 | I | A | 0.0000 | |
| 569 | L | A | 0.0000 | |
| 570 | V | A | 0.0000 | |
| 571 | V | A | 0.0000 | |
| 572 | F | A | 0.0000 | |
| 573 | L | A | 0.0000 | |
| 574 | G | A | 0.0000 | |
| 575 | G | A | 0.0000 | |
| 576 | C | A | 0.0000 | |
| 577 | T | A | 0.0000 | |
| 578 | F | A | 0.0000 | |
| 579 | S | A | 0.0000 | |
| 580 | E | A | 0.0000 | |
| 581 | I | A | 0.0000 | |
| 582 | S | A | 0.0000 | |
| 583 | A | A | 0.0000 | |
| 584 | L | A | 0.0000 | |
| 585 | R | A | -0.8547 | |
| 586 | F | A | 0.0000 | |
| 587 | L | A | 0.0000 | |
| 588 | G | A | 0.0000 | |
| 589 | R | A | -2.0305 | |
| 590 | E | A | -3.1853 | |
| 591 | K | A | -2.7691 | |
| 592 | G | A | 0.0000 | |
| 593 | Y | A | -1.4134 | |
| 594 | R | A | -1.1618 | |
| 595 | F | A | 0.0000 | |
| 596 | I | A | 0.0000 | |
| 597 | F | A | 0.0000 | |
| 598 | L | A | 0.0000 | |
| 599 | T | A | 0.0000 | |
| 600 | T | A | 0.0000 | |
| 601 | A | A | -0.2931 | |
| 602 | V | A | -0.1448 | |
| 603 | T | A | 0.0000 | |
| 604 | N | A | 0.0000 | |
| 605 | S | A | -0.2880 | |
| 606 | A | A | -0.5210 | |
| 607 | R | A | -0.6317 | |
| 608 | L | A | 0.0000 | |
| 609 | M | A | 0.0000 | |
| 610 | E | A | -1.0252 | |
| 611 | A | A | -0.7315 | |
| 612 | M | A | 0.0000 | |
| 613 | S | A | -0.7367 | |
| 614 | E | A | -1.0499 | |
| 615 | V | A | -0.9591 | |
| 616 | K | A | -1.8474 | |
| 617 | S | A | -1.0715 |
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 | -0.9999 | 3.655 | View | CSV | PDB |
| 4.5 | -1.0715 | 3.6283 | View | CSV | PDB |
| 5.0 | -1.1606 | 3.5917 | View | CSV | PDB |
| 5.5 | -1.2521 | 3.558 | View | CSV | PDB |
| 6.0 | -1.3266 | 3.5394 | View | CSV | PDB |
| 6.5 | -1.3691 | 3.5365 | View | CSV | PDB |
| 7.0 | -1.3773 | 3.5399 | View | CSV | PDB |
| 7.5 | -1.3597 | 3.5428 | View | CSV | PDB |
| 8.0 | -1.3259 | 3.5441 | View | CSV | PDB |
| 8.5 | -1.28 | 3.5445 | View | CSV | PDB |
| 9.0 | -1.2229 | 3.5447 | 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