| Chain sequence(s) | MAEMGSKGVTAGKIASNVQKKLTRAQEKVLQKLGKADETKDEQFEQCVQNFNKQLTEGTRLQKDLRTYLASVKAMHEASKKLSECLQEVYEPEWPGRDEANKIAENNDLLWMDYHQKLVDQALLTMDTYLGQFPDIKSRIAKRGRKLVDYDSARHHYESLQTAKKKDEAKIAKPVSLLEKAAPQWCQGKLQAHLVAQTNLLRNQAEEELIKAQKVFEEMNVDLQEELPSLWNSRVGFYVNTFQSIAGLEENFHKEMSKLNQNLNDVLVSLEKQHGSNTFTVKAQPSDNAPEKGNKSPSPPPDGSPAATPEIRVNHEPEPASGASPGATIPKSPSQLRKGPPVPPPPKHTPSKEMKQEQILSLFDDAFVPEISVTTPSQFEAPGPFSEQASLLDLDFEPLPPVASPVKAPTPSGQSIPWDLWEPTESQAGILPSGEPSSAEGSFAVAWPSQTAEPGPAQPAEASEVVGGAQEPGETAASEATSSSLPAVVVETFSATVNGAVEGSAGTGRLDLPPGFMFKVQAQHDYTATDTDELQLKAGDVVLVIPFQNPEEQDEGWLMGVKESDWNQHKELEKCRGVFPENFTERVQ 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. (00:00:02)
[INFO] FoldX: Starting FoldX energy minimization (00:00:02)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:16:36)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/2209e0dfea8f49/tmp/folded.pdb (00:16:36)
[INFO] Main: Simulation completed successfully. (00:22:15)
|
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 | 0.7760 | |
| 2 | A | A | -0.1137 | |
| 3 | E | A | -1.1688 | |
| 4 | M | A | -0.3173 | |
| 5 | G | A | -0.7710 | |
| 6 | S | A | -0.9306 | |
| 7 | K | A | -1.5134 | |
| 8 | G | A | -0.7724 | |
| 9 | V | A | 0.4730 | |
| 10 | T | A | -0.6396 | |
| 11 | A | A | -0.7299 | |
| 12 | G | A | -0.9038 | |
| 13 | K | A | -1.7342 | |
| 14 | I | A | -0.9020 | |
| 15 | A | A | -0.7905 | |
| 16 | S | A | -1.1803 | |
| 17 | N | A | -1.4343 | |
| 18 | V | A | -0.2888 | |
| 19 | Q | A | -1.1736 | |
| 20 | K | A | -1.3431 | |
| 21 | K | A | -0.7416 | |
| 22 | L | A | 0.2673 | |
| 23 | T | A | -0.5579 | |
| 24 | R | A | -0.7806 | |
| 25 | A | A | -0.5353 | |
| 26 | Q | A | -0.9211 | |
| 27 | E | A | 0.0000 | |
| 28 | K | A | -1.0373 | |
| 29 | V | A | -0.2676 | |
| 30 | L | A | -1.0327 | |
| 31 | Q | A | -2.1392 | |
| 32 | K | A | -1.9548 | |
| 33 | L | A | -0.2802 | |
| 34 | G | A | -1.6918 | |
| 35 | K | A | -2.1950 | |
| 36 | A | A | -2.2925 | |
| 37 | D | A | -3.7001 | |
| 38 | E | A | -3.4631 | |
| 39 | T | A | 0.0000 | |
| 40 | K | A | -2.3745 | |
| 41 | D | A | -2.3963 | |
| 42 | E | A | -3.4391 | |
| 43 | Q | A | -3.3062 | |
| 44 | F | A | 0.0000 | |
| 45 | E | A | -3.7434 | |
| 46 | Q | A | -3.1458 | |
| 47 | C | A | -2.1717 | |
| 48 | V | A | -2.0519 | |
| 49 | Q | A | -2.6095 | |
| 50 | N | A | -1.7970 | |
| 51 | F | A | 0.0000 | |
| 52 | N | A | -1.8168 | |
| 53 | K | A | -2.2839 | |
| 54 | Q | A | 0.0000 | |
| 55 | L | A | -1.2566 | |
| 56 | T | A | -1.5625 | |
| 57 | E | A | -2.2628 | |
| 58 | G | A | 0.0000 | |
| 59 | T | A | -2.0588 | |
| 60 | R | A | -3.2988 | |
| 61 | L | A | -2.3070 | |
| 62 | Q | A | -2.5702 | |
| 63 | K | A | -3.6821 | |
| 64 | D | A | -3.3396 | |
| 65 | L | A | 0.0000 | |
| 66 | R | A | -2.3469 | |
| 67 | T | A | -1.6351 | |
| 68 | Y | A | -0.8963 | |
| 69 | L | A | 0.0000 | |
| 70 | A | A | -0.6915 | |
| 71 | S | A | -0.4617 | |
| 72 | V | A | 0.0000 | |
| 73 | K | A | -1.3255 | |
| 74 | A | A | -0.8427 | |
| 75 | M | A | -0.5566 | |
| 76 | H | A | -1.1064 | |
| 77 | E | A | -2.3211 | |
| 78 | A | A | -1.3083 | |
| 79 | S | A | -1.1573 | |
| 80 | K | A | -2.2054 | |
| 81 | K | A | -2.0599 | |
| 82 | L | A | -0.1488 | |
| 83 | S | A | -1.3012 | |
| 84 | E | A | -1.8145 | |
| 85 | C | A | -0.1637 | |
| 86 | L | A | -0.0014 | |
| 87 | Q | A | -1.2770 | |
| 88 | E | A | -1.2220 | |
| 89 | V | A | 0.5671 | |
| 90 | Y | A | 0.0000 | |
| 91 | E | A | -1.6441 | |
| 92 | P | A | -1.9482 | |
| 93 | E | A | -2.2546 | |
| 94 | W | A | -1.5580 | |
| 95 | P | A | -1.4835 | |
| 96 | G | A | -1.6837 | |
| 97 | R | A | -2.5149 | |
| 98 | D | A | -3.1935 | |
| 99 | E | A | -3.1800 | |
| 100 | A | A | 0.0000 | |
| 101 | N | A | -3.0478 | |
| 102 | K | A | -3.7104 | |
| 103 | I | A | 0.0000 | |
| 104 | A | A | -2.4000 | |
| 105 | E | A | -2.9272 | |
| 106 | N | A | -1.9556 | |
| 107 | N | A | -1.4654 | |
| 108 | D | A | -1.0741 | |
| 109 | L | A | 0.5304 | |
| 110 | L | A | -0.3126 | |
| 111 | W | A | 0.0000 | |
| 112 | M | A | -0.1480 | |
| 113 | D | A | -0.8890 | |
| 114 | Y | A | 0.0000 | |
| 115 | H | A | -1.0737 | |
| 116 | Q | A | -2.0270 | |
| 117 | K | A | -2.0220 | |
| 118 | L | A | 0.0000 | |
| 119 | V | A | -1.2185 | |
| 120 | D | A | -1.8196 | |
| 121 | Q | A | -1.8692 | |
| 122 | A | A | 0.0000 | |
| 123 | L | A | 0.0000 | |
| 124 | L | A | 0.1799 | |
| 125 | T | A | -0.3968 | |
| 126 | M | A | 0.0000 | |
| 127 | D | A | -0.4617 | |
| 128 | T | A | -0.3585 | |
| 129 | Y | A | 0.0000 | |
| 130 | L | A | 0.0000 | |
| 131 | G | A | -1.3026 | |
| 132 | Q | A | -1.5839 | |
| 133 | F | A | 0.0000 | |
| 134 | P | A | -1.6698 | |
| 135 | D | A | -2.3646 | |
| 136 | I | A | 0.0000 | |
| 137 | K | A | -1.9361 | |
| 138 | S | A | -1.7395 | |
| 139 | R | A | -1.8928 | |
| 140 | I | A | -1.1827 | |
| 141 | A | A | -1.5086 | |
| 142 | K | A | -2.2405 | |
| 143 | R | A | 0.0000 | |
| 144 | G | A | -1.1170 | |
| 145 | R | A | -1.6518 | |
| 146 | K | A | -1.1987 | |
| 147 | L | A | -0.8295 | |
| 148 | V | A | -0.9468 | |
| 149 | D | A | -1.0235 | |
| 150 | Y | A | 0.0000 | |
| 151 | D | A | 0.0000 | |
| 152 | S | A | 0.0000 | |
| 153 | A | A | 0.0000 | |
| 154 | R | A | -1.1486 | |
| 155 | H | A | -1.6995 | |
| 156 | H | A | -1.6876 | |
| 157 | Y | A | -1.8315 | |
| 158 | E | A | -1.6938 | |
| 159 | S | A | -1.4981 | |
| 160 | L | A | -1.4732 | |
| 161 | Q | A | -1.7526 | |
| 162 | T | A | -2.0469 | |
| 163 | A | A | -3.1003 | |
| 164 | K | A | -3.9601 | |
| 165 | K | A | -4.2683 | |
| 166 | K | A | -4.3514 | |
| 167 | D | A | -4.2500 | |
| 168 | E | A | -4.1509 | |
| 169 | A | A | -2.9855 | |
| 170 | K | A | -2.7143 | |
| 171 | I | A | -0.7155 | |
| 172 | A | A | -0.9801 | |
| 173 | K | A | -1.3946 | |
| 174 | P | A | -0.1398 | |
| 175 | V | A | -0.0440 | |
| 176 | S | A | -0.0157 | |
| 177 | L | A | 0.6968 | |
| 178 | L | A | 0.4959 | |
| 179 | E | A | -1.3034 | |
| 180 | K | A | -1.4099 | |
| 181 | A | A | -0.4430 | |
| 182 | A | A | -0.4548 | |
| 183 | P | A | -0.7208 | |
| 184 | Q | A | -1.3440 | |
| 185 | W | A | 0.1643 | |
| 186 | C | A | -0.6775 | |
| 187 | Q | A | -1.7065 | |
| 188 | G | A | -1.7805 | |
| 189 | K | A | -2.0678 | |
| 190 | L | A | -1.1375 | |
| 191 | Q | A | -1.6172 | |
| 192 | A | A | -1.1193 | |
| 193 | H | A | -1.4431 | |
| 194 | L | A | -0.0017 | |
| 195 | V | A | 0.5117 | |
| 196 | A | A | 0.0841 | |
| 197 | Q | A | -0.4107 | |
| 198 | T | A | -0.2444 | |
| 199 | N | A | -0.3164 | |
| 200 | L | A | 0.4500 | |
| 201 | L | A | -0.0352 | |
| 202 | R | A | -1.6029 | |
| 203 | N | A | -2.1114 | |
| 204 | Q | A | -2.1907 | |
| 205 | A | A | -2.3886 | |
| 206 | E | A | -2.5475 | |
| 207 | E | A | -3.4232 | |
| 208 | E | A | -3.7065 | |
| 209 | L | A | -2.0285 | |
| 210 | I | A | -1.0381 | |
| 211 | K | A | -2.6324 | |
| 212 | A | A | -1.6659 | |
| 213 | Q | A | -1.7279 | |
| 214 | K | A | -2.4068 | |
| 215 | V | A | -1.1323 | |
| 216 | F | A | 0.0000 | |
| 217 | E | A | -1.8611 | |
| 218 | E | A | -2.3337 | |
| 219 | M | A | -1.6217 | |
| 220 | N | A | 0.0000 | |
| 221 | V | A | -1.5584 | |
| 222 | D | A | -2.5840 | |
| 223 | L | A | 0.0000 | |
| 224 | Q | A | -1.8407 | |
| 225 | E | A | -2.6887 | |
| 226 | E | A | -2.0916 | |
| 227 | L | A | 0.0000 | |
| 228 | P | A | -1.1877 | |
| 229 | S | A | -1.3955 | |
| 230 | L | A | 0.0000 | |
| 231 | W | A | -0.6340 | |
| 232 | N | A | -1.1249 | |
| 233 | S | A | -0.4475 | |
| 234 | R | A | 0.0358 | |
| 235 | V | A | 1.4480 | |
| 236 | G | A | 0.4940 | |
| 237 | F | A | 0.0000 | |
| 238 | Y | A | 1.1888 | |
| 239 | V | A | 1.6366 | |
| 240 | N | A | -0.3547 | |
| 241 | T | A | 0.0000 | |
| 242 | F | A | 1.1047 | |
| 243 | Q | A | -0.4944 | |
| 244 | S | A | -0.6098 | |
| 245 | I | A | -0.5502 | |
| 246 | A | A | -0.9432 | |
| 247 | G | A | -1.2056 | |
| 248 | L | A | -1.7926 | |
| 249 | E | A | -2.4889 | |
| 250 | E | A | -3.4391 | |
| 251 | N | A | -3.1022 | |
| 252 | F | A | 0.0000 | |
| 253 | H | A | -3.2622 | |
| 254 | K | A | -3.6740 | |
| 255 | E | A | -3.3178 | |
| 256 | M | A | -2.7562 | |
| 257 | S | A | -2.8502 | |
| 258 | K | A | -3.4721 | |
| 259 | L | A | -2.9565 | |
| 260 | N | A | -3.0306 | |
| 261 | Q | A | -3.3656 | |
| 262 | N | A | -2.8367 | |
| 263 | L | A | -2.2155 | |
| 264 | N | A | -2.4766 | |
| 265 | D | A | -2.4268 | |
| 266 | V | A | 0.0000 | |
| 267 | L | A | -0.7965 | |
| 268 | V | A | -0.7120 | |
| 269 | S | A | -1.3945 | |
| 270 | L | A | 0.0000 | |
| 271 | E | A | -2.9322 | |
| 272 | K | A | -3.1183 | |
| 273 | Q | A | -2.7809 | |
| 274 | H | A | -2.2226 | |
| 275 | G | A | -2.2603 | |
| 276 | S | A | -1.9232 | |
| 277 | N | A | -1.6514 | |
| 278 | T | A | 0.1823 | |
| 279 | F | A | 1.6573 | |
| 280 | T | A | 1.0522 | |
| 281 | V | A | 1.3349 | |
| 282 | K | A | -0.9222 | |
| 283 | A | A | -0.9148 | |
| 284 | Q | A | -1.7852 | |
| 285 | P | A | -1.7164 | |
| 286 | S | A | -1.8458 | |
| 287 | D | A | -2.7082 | |
| 288 | N | A | -2.4428 | |
| 289 | A | A | -1.7298 | |
| 290 | P | A | -1.8575 | |
| 291 | E | A | -3.1268 | |
| 292 | K | A | -3.1732 | |
| 293 | G | A | -2.7458 | |
| 294 | N | A | -2.9860 | |
| 295 | K | A | -2.5827 | |
| 296 | S | A | -1.4943 | |
| 297 | P | A | -0.9321 | |
| 298 | S | A | -0.6030 | |
| 299 | P | A | -0.6166 | |
| 300 | P | A | -1.0168 | |
| 301 | P | A | -1.4428 | |
| 302 | D | A | -2.2803 | |
| 303 | G | A | -1.5764 | |
| 304 | S | A | -1.0510 | |
| 305 | P | A | -0.6301 | |
| 306 | A | A | -0.1849 | |
| 307 | A | A | -0.3218 | |
| 308 | T | A | -0.4204 | |
| 309 | P | A | -0.8094 | |
| 310 | E | A | -1.2476 | |
| 311 | I | A | 0.4358 | |
| 312 | R | A | -0.8287 | |
| 313 | V | A | 0.1113 | |
| 314 | N | A | -1.5224 | |
| 315 | H | A | -2.4329 | |
| 316 | E | A | -2.8991 | |
| 317 | P | A | -2.2772 | |
| 318 | E | A | -2.5259 | |
| 319 | P | A | -1.2535 | |
| 320 | A | A | -0.7103 | |
| 321 | S | A | -0.4569 | |
| 322 | G | A | -0.5984 | |
| 323 | A | A | -0.3800 | |
| 324 | S | A | -0.5351 | |
| 325 | P | A | -0.5956 | |
| 326 | G | A | -0.4018 | |
| 327 | A | A | 0.1309 | |
| 328 | T | A | 0.5220 | |
| 329 | I | A | 1.3292 | |
| 330 | P | A | -0.1975 | |
| 331 | K | A | -1.4891 | |
| 332 | S | A | -1.1550 | |
| 333 | P | A | -1.0822 | |
| 334 | S | A | -1.1490 | |
| 335 | Q | A | -1.2719 | |
| 336 | L | A | -0.5539 | |
| 337 | R | A | -2.3847 | |
| 338 | K | A | -2.8162 | |
| 339 | G | A | -1.9918 | |
| 340 | P | A | -1.9815 | |
| 341 | P | A | -0.7511 | |
| 342 | V | A | 0.6711 | |
| 343 | P | A | 0.0000 | |
| 344 | P | A | -0.1270 | |
| 345 | P | A | -0.5885 | |
| 346 | P | A | -1.2962 | |
| 347 | K | A | -2.2776 | |
| 348 | H | A | -2.0231 | |
| 349 | T | A | -1.4163 | |
| 350 | P | A | -1.6076 | |
| 351 | S | A | -1.6585 | |
| 352 | K | A | -2.6752 | |
| 353 | E | A | -2.8386 | |
| 354 | M | A | -1.8430 | |
| 355 | K | A | -3.0283 | |
| 356 | Q | A | -2.5603 | |
| 357 | E | A | -2.4869 | |
| 358 | Q | A | -0.9373 | |
| 359 | I | A | 1.8095 | |
| 360 | L | A | 2.0042 | |
| 361 | S | A | 1.1281 | |
| 362 | L | A | 2.3503 | |
| 363 | F | A | 1.8962 | |
| 364 | D | A | -0.8942 | |
| 365 | D | A | -1.3491 | |
| 366 | A | A | 0.4423 | |
| 367 | F | A | 1.9963 | |
| 368 | V | A | 2.2410 | |
| 369 | P | A | 0.7817 | |
| 370 | E | A | -0.1334 | |
| 371 | I | A | 1.6605 | |
| 372 | S | A | 1.0972 | |
| 373 | V | A | 1.9088 | |
| 374 | T | A | 0.8432 | |
| 375 | T | A | -0.0327 | |
| 376 | P | A | -0.2364 | |
| 377 | S | A | -0.5039 | |
| 378 | Q | A | -0.8544 | |
| 379 | F | A | 0.4061 | |
| 380 | E | A | -1.1840 | |
| 381 | A | A | -0.6017 | |
| 382 | P | A | -0.9186 | |
| 383 | G | A | -0.3084 | |
| 384 | P | A | 0.2853 | |
| 385 | F | A | 1.2220 | |
| 386 | S | A | -0.3827 | |
| 387 | E | A | -2.1239 | |
| 388 | Q | A | -2.1986 | |
| 389 | A | A | -0.6947 | |
| 390 | S | A | 0.4431 | |
| 391 | L | A | 1.8333 | |
| 392 | L | A | 1.4147 | |
| 393 | D | A | -0.1438 | |
| 394 | L | A | 0.4243 | |
| 395 | D | A | -0.8819 | |
| 396 | F | A | 0.4787 | |
| 397 | E | A | -0.9400 | |
| 398 | P | A | -0.2217 | |
| 399 | L | A | 1.2287 | |
| 400 | P | A | 0.6899 | |
| 401 | P | A | 0.7980 | |
| 402 | V | A | 1.7497 | |
| 403 | A | A | 0.6977 | |
| 404 | S | A | 0.4381 | |
| 405 | P | A | 0.1258 | |
| 406 | V | A | 0.7765 | |
| 407 | K | A | -0.9482 | |
| 408 | A | A | -0.5626 | |
| 409 | P | A | -0.5890 | |
| 410 | T | A | -0.6273 | |
| 411 | P | A | -0.7623 | |
| 412 | S | A | -1.0303 | |
| 413 | G | A | -1.0369 | |
| 414 | Q | A | -1.1241 | |
| 415 | S | A | 0.1199 | |
| 416 | I | A | 1.6928 | |
| 417 | P | A | 1.0205 | |
| 418 | W | A | 1.2136 | |
| 419 | D | A | -0.3173 | |
| 420 | L | A | 1.3204 | |
| 421 | W | A | 0.6859 | |
| 422 | E | A | -1.4755 | |
| 423 | P | A | -1.1542 | |
| 424 | T | A | -1.6099 | |
| 425 | E | A | -2.6018 | |
| 426 | S | A | -1.7161 | |
| 427 | Q | A | -1.6226 | |
| 428 | A | A | -0.5153 | |
| 429 | G | A | 0.6994 | |
| 430 | I | A | 2.3268 | |
| 431 | L | A | 2.2271 | |
| 432 | P | A | 0.8262 | |
| 433 | S | A | -0.6354 | |
| 434 | G | A | -1.5569 | |
| 435 | E | A | -2.3041 | |
| 436 | P | A | -1.4942 | |
| 437 | S | A | -0.8723 | |
| 438 | S | A | -0.9873 | |
| 439 | A | A | -1.1373 | |
| 440 | E | A | -1.9049 | |
| 441 | G | A | -0.9295 | |
| 442 | S | A | 0.2331 | |
| 443 | F | A | 1.9951 | |
| 444 | A | A | 1.8871 | |
| 445 | V | A | 2.5587 | |
| 446 | A | A | 1.6362 | |
| 447 | W | A | 1.3504 | |
| 448 | P | A | 0.1098 | |
| 449 | S | A | -0.6324 | |
| 450 | Q | A | -1.2632 | |
| 451 | T | A | -1.0966 | |
| 452 | A | A | -1.3061 | |
| 453 | E | A | -2.0089 | |
| 454 | P | A | -1.3841 | |
| 455 | G | A | -1.0588 | |
| 456 | P | A | -0.7966 | |
| 457 | A | A | -0.8786 | |
| 458 | Q | A | -1.3271 | |
| 459 | P | A | -1.1438 | |
| 460 | A | A | -1.1846 | |
| 461 | E | A | -2.0355 | |
| 462 | A | A | -1.4356 | |
| 463 | S | A | -1.1473 | |
| 464 | E | A | -0.8991 | |
| 465 | V | A | 1.6384 | |
| 466 | V | A | 1.9334 | |
| 467 | G | A | 0.5052 | |
| 468 | G | A | -0.5386 | |
| 469 | A | A | -1.3132 | |
| 470 | Q | A | -2.1838 | |
| 471 | E | A | -2.6349 | |
| 472 | P | A | -2.1800 | |
| 473 | G | A | -1.9288 | |
| 474 | E | A | -2.1186 | |
| 475 | T | A | -0.9882 | |
| 476 | A | A | -0.3206 | |
| 477 | A | A | -0.3771 | |
| 478 | S | A | -1.0837 | |
| 479 | E | A | -1.9016 | |
| 480 | A | A | -0.9859 | |
| 481 | T | A | -0.5610 | |
| 482 | S | A | -0.3862 | |
| 483 | S | A | -0.1219 | |
| 484 | S | A | 0.3105 | |
| 485 | L | A | 1.4638 | |
| 486 | P | A | 0.9235 | |
| 487 | A | A | 1.7841 | |
| 488 | V | A | 2.9675 | |
| 489 | V | A | 3.0329 | |
| 490 | V | A | 2.3303 | |
| 491 | E | A | 0.0602 | |
| 492 | T | A | 0.6174 | |
| 493 | F | A | 1.5780 | |
| 494 | S | A | 0.7182 | |
| 495 | A | A | 0.6672 | |
| 496 | T | A | 0.6182 | |
| 497 | V | A | 0.9944 | |
| 498 | N | A | -0.6306 | |
| 499 | G | A | -0.2448 | |
| 500 | A | A | -0.0298 | |
| 501 | V | A | 0.6911 | |
| 502 | E | A | -1.1971 | |
| 503 | G | A | -1.1034 | |
| 504 | S | A | -0.8816 | |
| 505 | A | A | -0.3876 | |
| 506 | G | A | -0.9188 | |
| 507 | T | A | -0.8710 | |
| 508 | G | A | -1.4775 | |
| 509 | R | A | -2.0648 | |
| 510 | L | A | -0.8790 | |
| 511 | D | A | -1.7394 | |
| 512 | L | A | -0.1618 | |
| 513 | P | A | 0.0000 | |
| 514 | P | A | -0.1746 | |
| 515 | G | A | -0.0013 | |
| 516 | F | A | 0.8001 | |
| 517 | M | A | 0.9865 | |
| 518 | F | A | 0.1517 | |
| 519 | K | A | -0.9270 | |
| 520 | V | A | 0.0000 | |
| 521 | Q | A | -2.0527 | |
| 522 | A | A | 0.0000 | |
| 523 | Q | A | -2.6701 | |
| 524 | H | A | -2.8024 | |
| 525 | D | A | -3.1689 | |
| 526 | Y | A | 0.0000 | |
| 527 | T | A | -1.1758 | |
| 528 | A | A | -0.9166 | |
| 529 | T | A | -0.7165 | |
| 530 | D | A | -1.2036 | |
| 531 | T | A | -1.0265 | |
| 532 | D | A | -1.6935 | |
| 533 | E | A | -1.1673 | |
| 534 | L | A | 0.0000 | |
| 535 | Q | A | -1.6696 | |
| 536 | L | A | 0.0000 | |
| 537 | K | A | -3.1693 | |
| 538 | A | A | -2.3820 | |
| 539 | G | A | -1.7282 | |
| 540 | D | A | -1.8588 | |
| 541 | V | A | -1.1117 | |
| 542 | V | A | 0.0000 | |
| 543 | L | A | 0.0000 | |
| 544 | V | A | 0.0000 | |
| 545 | I | A | 0.0000 | |
| 546 | P | A | -0.5300 | |
| 547 | F | A | -1.6216 | |
| 548 | Q | A | -1.9841 | |
| 549 | N | A | -2.2477 | |
| 550 | P | A | -2.4485 | |
| 551 | E | A | -3.3712 | |
| 552 | E | A | -3.7272 | |
| 553 | Q | A | -3.1850 | |
| 554 | D | A | -2.6032 | |
| 555 | E | A | -2.7794 | |
| 556 | G | A | -1.6068 | |
| 557 | W | A | -1.4914 | |
| 558 | L | A | 0.0000 | |
| 559 | M | A | -0.5934 | |
| 560 | G | A | 0.0000 | |
| 561 | V | A | 0.0000 | |
| 562 | K | A | -1.1411 | |
| 563 | E | A | -1.1719 | |
| 564 | S | A | -1.5091 | |
| 565 | D | A | -2.2641 | |
| 566 | W | A | 0.0000 | |
| 567 | N | A | -2.6055 | |
| 568 | Q | A | -2.9034 | |
| 569 | H | A | -3.2706 | |
| 570 | K | A | -3.7821 | |
| 571 | E | A | -3.5819 | |
| 572 | L | A | -2.5787 | |
| 573 | E | A | -3.2641 | |
| 574 | K | A | -3.5057 | |
| 575 | C | A | -2.5644 | |
| 576 | R | A | -2.1015 | |
| 577 | G | A | 0.0000 | |
| 578 | V | A | -0.6986 | |
| 579 | F | A | 0.0000 | |
| 580 | P | A | 0.0000 | |
| 581 | E | A | -2.2712 | |
| 582 | N | A | -2.1012 | |
| 583 | F | A | -1.8024 | |
| 584 | T | A | -2.5832 | |
| 585 | E | A | -3.3314 | |
| 586 | R | A | -2.9172 | |
| 587 | V | A | -1.3191 | |
| 588 | Q | A | -1.5435 |
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 | -0.3933 | 6.0378 | View | CSV | PDB |
| 4.5 | -0.4956 | 5.8283 | View | CSV | PDB |
| 5.0 | -0.6258 | 5.5842 | View | CSV | PDB |
| 5.5 | -0.7581 | 5.3272 | View | CSV | PDB |
| 6.0 | -0.8641 | 5.0706 | View | CSV | PDB |
| 6.5 | -0.921 | 4.8248 | View | CSV | PDB |
| 7.0 | -0.9235 | 4.7374 | View | CSV | PDB |
| 7.5 | -0.8865 | 4.7374 | View | CSV | PDB |
| 8.0 | -0.8284 | 4.7374 | View | CSV | PDB |
| 8.5 | -0.7579 | 4.7374 | View | CSV | PDB |
| 9.0 | -0.6758 | 4.7374 | 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