| Chain sequence(s) | MASPGSGFWSFGSEDGSGDPENPGTARAWCQVAQKFTGGIGNKLCALLYGDSEKPAESGGSVTSRAATRKVACTCDQKPCSCPKGDVNYALLHATDLLPACEGERPTLAFLQDVMNILLQYVVKSFDRSTKVIDFHYPNELLQEYNWELADQPQNLEEILTHCQTTLKYAIKTGHPRYFNQLSTGLDMVGLAADWLTSTANTNMFTYEIAPVFVLLEYVTLKKMREIIGWPGGSGDGIFSPGGAISNMYAMLIARYKMFPEVKEKGMAAVPRLIAFTSEHSHFSLKKGAAALGIGTDSVILIKCDERGKMIPSDLERRILEVKQKGFVPFLVSATAGTTVYGAFDPLLAVADICKKYKIWMHVDAAWGGGLLMSRKHKWKLNGVERANSVTWNPHKMMGVPLQCSALLVREEGLMQSCNQMHASYLFQQDKHYDLSYDTGDKALQCGRHVDVFKLWLMWRAKGTTGFEAHIDKCLELAEYLYNIIKNREGYEMVFDGKPQHTNVCFWFVPPSLRVLEDNEERMSRLSKVAPVIKARMMEYGTTMVSYQPLGDKVNFFRMVISNPAATHQDIDFLIEEIERLGQDL 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] (00:00:01)
[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 globular. Max score is recommended for pH analysis. (00:00:04)
[INFO] FoldX: Starting FoldX energy minimization (00:00:04)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:14:38)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/13a80d2a4572dc/tmp/folded.pdb (00:14:38)
[INFO] Main: Simulation completed successfully. (00:24:05)
|
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 | 1.0356 | |
| 2 | A | A | 0.3512 | |
| 3 | S | A | -0.2231 | |
| 4 | P | A | -0.6531 | |
| 5 | G | A | -0.6503 | |
| 6 | S | A | -0.1271 | |
| 7 | G | A | 0.5408 | |
| 8 | F | A | 2.3458 | |
| 9 | W | A | 2.3382 | |
| 10 | S | A | 1.6303 | |
| 11 | F | A | 1.8706 | |
| 12 | G | A | -0.2022 | |
| 13 | S | A | -1.4576 | |
| 14 | E | A | -2.8197 | |
| 15 | D | A | -3.1110 | |
| 16 | G | A | -2.2366 | |
| 17 | S | A | -1.6814 | |
| 18 | G | A | -2.0633 | |
| 19 | D | A | -2.9655 | |
| 20 | P | A | -2.4290 | |
| 21 | E | A | -3.2533 | |
| 22 | N | A | -2.9483 | |
| 23 | P | A | -1.9943 | |
| 24 | G | A | -1.7390 | |
| 25 | T | A | -1.1011 | |
| 26 | A | A | -1.1283 | |
| 27 | R | A | -2.1143 | |
| 28 | A | A | -0.9447 | |
| 29 | W | A | -0.3759 | |
| 30 | C | A | -1.1326 | |
| 31 | Q | A | -1.3390 | |
| 32 | V | A | 0.2710 | |
| 33 | A | A | -0.1766 | |
| 34 | Q | A | -1.0517 | |
| 35 | K | A | -0.8190 | |
| 36 | F | A | 1.3203 | |
| 37 | T | A | 0.0655 | |
| 38 | G | A | -1.0402 | |
| 39 | G | A | -1.2389 | |
| 40 | I | A | -0.5176 | |
| 41 | G | A | 0.0000 | |
| 42 | N | A | -2.1714 | |
| 43 | K | A | -1.8874 | |
| 44 | L | A | 0.0000 | |
| 45 | C | A | -0.6899 | |
| 46 | A | A | -0.6317 | |
| 47 | L | A | 0.0926 | |
| 48 | L | A | 0.9325 | |
| 49 | Y | A | 1.0946 | |
| 50 | G | A | -0.6505 | |
| 51 | D | A | -2.3748 | |
| 52 | S | A | -2.2526 | |
| 53 | E | A | -3.2894 | |
| 54 | K | A | -3.2099 | |
| 55 | P | A | -1.8801 | |
| 56 | A | A | -1.6173 | |
| 57 | E | A | -2.2271 | |
| 58 | S | A | -1.4195 | |
| 59 | G | A | -1.0409 | |
| 60 | G | A | -0.3971 | |
| 61 | S | A | 0.2768 | |
| 62 | V | A | 1.2170 | |
| 63 | T | A | 0.1649 | |
| 64 | S | A | -0.6818 | |
| 65 | R | A | -1.7391 | |
| 66 | A | A | -1.1706 | |
| 67 | A | A | -1.2131 | |
| 68 | T | A | -1.4785 | |
| 69 | R | A | -2.3490 | |
| 70 | K | A | -1.8789 | |
| 71 | V | A | 0.6871 | |
| 72 | A | A | 0.4278 | |
| 73 | C | A | 0.4176 | |
| 74 | T | A | 0.1376 | |
| 75 | C | A | -0.7985 | |
| 76 | D | A | -2.4562 | |
| 77 | Q | A | -2.6168 | |
| 78 | K | A | -2.6928 | |
| 79 | P | A | -1.6301 | |
| 80 | C | A | -0.8828 | |
| 81 | S | A | -0.4683 | |
| 82 | C | A | -0.0400 | |
| 83 | P | A | -1.1427 | |
| 84 | K | A | -2.2213 | |
| 85 | G | A | -2.0993 | |
| 86 | D | A | -2.6066 | |
| 87 | V | A | -1.3818 | |
| 88 | N | A | -1.3677 | |
| 89 | Y | A | -0.7207 | |
| 90 | A | A | -0.2586 | |
| 91 | L | A | 0.8973 | |
| 92 | L | A | 0.0826 | |
| 93 | H | A | -0.4920 | |
| 94 | A | A | -0.1276 | |
| 95 | T | A | -0.2055 | |
| 96 | D | A | -0.7873 | |
| 97 | L | A | -0.2113 | |
| 98 | L | A | 0.4231 | |
| 99 | P | A | 0.0868 | |
| 100 | A | A | -0.2563 | |
| 101 | C | A | -0.3213 | |
| 102 | E | A | -2.1885 | |
| 103 | G | A | 0.0000 | |
| 104 | E | A | -2.1908 | |
| 105 | R | A | -1.9800 | |
| 106 | P | A | 0.0000 | |
| 107 | T | A | 0.0129 | |
| 108 | L | A | 0.9037 | |
| 109 | A | A | 0.0252 | |
| 110 | F | A | 0.3557 | |
| 111 | L | A | 1.2352 | |
| 112 | Q | A | -0.2130 | |
| 113 | D | A | -0.3561 | |
| 114 | V | A | 0.3308 | |
| 115 | M | A | -0.0823 | |
| 116 | N | A | -0.8029 | |
| 117 | I | A | -0.4055 | |
| 118 | L | A | -0.1067 | |
| 119 | L | A | -0.1456 | |
| 120 | Q | A | -0.9121 | |
| 121 | Y | A | -0.7563 | |
| 122 | V | A | 0.0000 | |
| 123 | V | A | -0.5856 | |
| 124 | K | A | -1.4382 | |
| 125 | S | A | 0.0000 | |
| 126 | F | A | -0.4472 | |
| 127 | D | A | -1.6786 | |
| 128 | R | A | -1.5872 | |
| 129 | S | A | -1.2856 | |
| 130 | T | A | -1.6263 | |
| 131 | K | A | -1.9461 | |
| 132 | V | A | 0.0000 | |
| 133 | I | A | 0.0000 | |
| 134 | D | A | -1.5222 | |
| 135 | F | A | -0.2955 | |
| 136 | H | A | -0.1944 | |
| 137 | Y | A | 0.5942 | |
| 138 | P | A | -0.2744 | |
| 139 | N | A | -1.4685 | |
| 140 | E | A | -1.4918 | |
| 141 | L | A | -0.6135 | |
| 142 | L | A | -0.4003 | |
| 143 | Q | A | -2.0124 | |
| 144 | E | A | -2.2948 | |
| 145 | Y | A | -1.1946 | |
| 146 | N | A | -1.4519 | |
| 147 | W | A | -0.5487 | |
| 148 | E | A | -0.9586 | |
| 149 | L | A | -0.0086 | |
| 150 | A | A | -0.9571 | |
| 151 | D | A | -2.1518 | |
| 152 | Q | A | -2.1380 | |
| 153 | P | A | -1.4906 | |
| 154 | Q | A | -1.3918 | |
| 155 | N | A | -1.0507 | |
| 156 | L | A | 0.0000 | |
| 157 | E | A | -1.9368 | |
| 158 | E | A | -1.6560 | |
| 159 | I | A | -0.6343 | |
| 160 | L | A | -0.6151 | |
| 161 | T | A | -0.9854 | |
| 162 | H | A | -1.0656 | |
| 163 | C | A | -0.5732 | |
| 164 | Q | A | -1.5232 | |
| 165 | T | A | 0.0000 | |
| 166 | T | A | -0.7692 | |
| 167 | L | A | -0.6830 | |
| 168 | K | A | -1.9140 | |
| 169 | Y | A | -0.7509 | |
| 170 | A | A | -0.1764 | |
| 171 | I | A | 0.3444 | |
| 172 | K | A | 0.0000 | |
| 173 | T | A | 0.1015 | |
| 174 | G | A | 0.0000 | |
| 175 | H | A | 0.0000 | |
| 176 | P | A | 0.0000 | |
| 177 | R | A | 0.0000 | |
| 178 | Y | A | 0.0000 | |
| 179 | F | A | 0.0000 | |
| 180 | N | A | -0.6369 | |
| 181 | Q | A | -1.0689 | |
| 182 | L | A | -0.4533 | |
| 183 | S | A | -0.3258 | |
| 184 | T | A | 0.0000 | |
| 185 | G | A | 0.0111 | |
| 186 | L | A | 0.3374 | |
| 187 | D | A | 0.1471 | |
| 188 | M | A | 0.3715 | |
| 189 | V | A | 0.2689 | |
| 190 | G | A | 0.0000 | |
| 191 | L | A | 0.4745 | |
| 192 | A | A | 0.5363 | |
| 193 | A | A | 0.0000 | |
| 194 | D | A | 0.2192 | |
| 195 | W | A | 0.5583 | |
| 196 | L | A | 0.8706 | |
| 197 | T | A | 0.0000 | |
| 198 | S | A | -0.4072 | |
| 199 | T | A | -0.1198 | |
| 200 | A | A | -0.4411 | |
| 201 | N | A | -1.3842 | |
| 202 | T | A | -0.8653 | |
| 203 | N | A | -0.9603 | |
| 204 | M | A | 0.0000 | |
| 205 | F | A | -0.0551 | |
| 206 | T | A | 0.0000 | |
| 207 | Y | A | -0.1628 | |
| 208 | E | A | -1.2096 | |
| 209 | I | A | 0.1483 | |
| 210 | A | A | 0.0000 | |
| 211 | P | A | 0.5994 | |
| 212 | V | A | 1.5427 | |
| 213 | F | A | 0.0000 | |
| 214 | V | A | 0.0000 | |
| 215 | L | A | 1.8593 | |
| 216 | L | A | 1.4884 | |
| 217 | E | A | 0.0000 | |
| 218 | Y | A | 1.1496 | |
| 219 | V | A | 1.5403 | |
| 220 | T | A | 0.0000 | |
| 221 | L | A | 0.0000 | |
| 222 | K | A | -1.4702 | |
| 223 | K | A | -1.6843 | |
| 224 | M | A | 0.0000 | |
| 225 | R | A | 0.0000 | |
| 226 | E | A | -2.7797 | |
| 227 | I | A | -1.4008 | |
| 228 | I | A | 0.0000 | |
| 229 | G | A | -1.7295 | |
| 230 | W | A | 0.0000 | |
| 231 | P | A | -1.2052 | |
| 232 | G | A | -1.4733 | |
| 233 | G | A | 0.0000 | |
| 234 | S | A | -1.6580 | |
| 235 | G | A | 0.0000 | |
| 236 | D | A | 0.0000 | |
| 237 | G | A | 0.0000 | |
| 238 | I | A | 0.0000 | |
| 239 | F | A | 0.0000 | |
| 240 | S | A | 0.0000 | |
| 241 | P | A | -0.3248 | |
| 242 | G | A | -0.0583 | |
| 243 | G | A | 0.0000 | |
| 244 | A | A | 0.3051 | |
| 245 | I | A | 0.5491 | |
| 246 | S | A | 0.0000 | |
| 247 | N | A | 0.0000 | |
| 248 | M | A | 0.1004 | |
| 249 | Y | A | 0.0000 | |
| 250 | A | A | 0.0000 | |
| 251 | M | A | 0.0000 | |
| 252 | L | A | 0.0000 | |
| 253 | I | A | 0.0000 | |
| 254 | A | A | 0.0000 | |
| 255 | R | A | -0.5566 | |
| 256 | Y | A | -0.8313 | |
| 257 | K | A | -1.2853 | |
| 258 | M | A | -0.5009 | |
| 259 | F | A | -0.3828 | |
| 260 | P | A | -1.4480 | |
| 261 | E | A | -2.0846 | |
| 262 | V | A | 0.0000 | |
| 263 | K | A | -2.6605 | |
| 264 | E | A | -3.3949 | |
| 265 | K | A | -3.0633 | |
| 266 | G | A | -1.8315 | |
| 267 | M | A | -0.8507 | |
| 268 | A | A | -0.3703 | |
| 269 | A | A | -0.7164 | |
| 270 | V | A | -0.2424 | |
| 271 | P | A | -0.2860 | |
| 272 | R | A | -0.8734 | |
| 273 | L | A | 0.0000 | |
| 274 | I | A | 0.0000 | |
| 275 | A | A | 0.0000 | |
| 276 | F | A | 0.0000 | |
| 277 | T | A | 0.0000 | |
| 278 | S | A | 0.0000 | |
| 279 | E | A | -1.4334 | |
| 280 | H | A | -0.7513 | |
| 281 | S | A | -0.1078 | |
| 282 | H | A | 0.1998 | |
| 283 | F | A | 1.0907 | |
| 284 | S | A | 0.0000 | |
| 285 | L | A | 0.0000 | |
| 286 | K | A | -0.8566 | |
| 287 | K | A | -1.3453 | |
| 288 | G | A | 0.0000 | |
| 289 | A | A | 0.0000 | |
| 290 | A | A | -1.0116 | |
| 291 | A | A | -0.4912 | |
| 292 | L | A | -0.2954 | |
| 293 | G | A | -0.3807 | |
| 294 | I | A | 0.0000 | |
| 295 | G | A | -1.2536 | |
| 296 | T | A | -1.4522 | |
| 297 | D | A | -1.7758 | |
| 298 | S | A | 0.0000 | |
| 299 | V | A | 0.0000 | |
| 300 | I | A | -0.2439 | |
| 301 | L | A | -0.3453 | |
| 302 | I | A | 0.0000 | |
| 303 | K | A | -2.2025 | |
| 304 | C | A | 0.0000 | |
| 305 | D | A | -2.3738 | |
| 306 | E | A | -3.1175 | |
| 307 | R | A | -2.4905 | |
| 308 | G | A | 0.0000 | |
| 309 | K | A | -1.4746 | |
| 310 | M | A | 0.0000 | |
| 311 | I | A | -0.5209 | |
| 312 | P | A | -0.7615 | |
| 313 | S | A | -0.9602 | |
| 314 | D | A | -1.1570 | |
| 315 | L | A | 0.0000 | |
| 316 | E | A | -1.2486 | |
| 317 | R | A | -1.6688 | |
| 318 | R | A | -1.6206 | |
| 319 | I | A | 0.0000 | |
| 320 | L | A | -0.7292 | |
| 321 | E | A | -1.7052 | |
| 322 | V | A | 0.0000 | |
| 323 | K | A | -2.0193 | |
| 324 | Q | A | -2.4985 | |
| 325 | K | A | -2.7180 | |
| 326 | G | A | -1.9649 | |
| 327 | F | A | -0.9818 | |
| 328 | V | A | -0.3600 | |
| 329 | P | A | 0.0000 | |
| 330 | F | A | 0.0000 | |
| 331 | L | A | 0.0000 | |
| 332 | V | A | 0.0000 | |
| 333 | S | A | 0.0000 | |
| 334 | A | A | 0.0000 | |
| 335 | T | A | 0.0000 | |
| 336 | A | A | 0.0000 | |
| 337 | G | A | 0.0000 | |
| 338 | T | A | 0.0000 | |
| 339 | T | A | -0.0081 | |
| 340 | V | A | 0.0000 | |
| 341 | Y | A | 0.0000 | |
| 342 | G | A | 0.0000 | |
| 343 | A | A | 0.0000 | |
| 344 | F | A | 0.0000 | |
| 345 | D | A | 0.0000 | |
| 346 | P | A | 0.0658 | |
| 347 | L | A | 0.0000 | |
| 348 | L | A | 0.3038 | |
| 349 | A | A | -0.1331 | |
| 350 | V | A | 0.0000 | |
| 351 | A | A | 0.0000 | |
| 352 | D | A | -2.5490 | |
| 353 | I | A | 0.0000 | |
| 354 | C | A | 0.0000 | |
| 355 | K | A | -3.6669 | |
| 356 | K | A | -3.3610 | |
| 357 | Y | A | -2.0541 | |
| 358 | K | A | -2.8159 | |
| 359 | I | A | 0.0000 | |
| 360 | W | A | 0.0000 | |
| 361 | M | A | 0.0000 | |
| 362 | H | A | 0.0000 | |
| 363 | V | A | 0.0000 | |
| 364 | D | A | 0.0000 | |
| 365 | A | A | 0.0000 | |
| 366 | A | A | -0.0698 | |
| 367 | W | A | 0.0000 | |
| 368 | G | A | 0.0000 | |
| 369 | G | A | 0.0000 | |
| 370 | G | A | 0.0000 | |
| 371 | L | A | 0.0000 | |
| 372 | L | A | 0.0000 | |
| 373 | M | A | 0.0000 | |
| 374 | S | A | 0.0000 | |
| 375 | R | A | -2.7712 | |
| 376 | K | A | -2.7026 | |
| 377 | H | A | -1.6218 | |
| 378 | K | A | -1.4596 | |
| 379 | W | A | -0.3785 | |
| 380 | K | A | -0.4911 | |
| 381 | L | A | 0.0000 | |
| 382 | N | A | -1.0376 | |
| 383 | G | A | 0.0000 | |
| 384 | V | A | 0.0000 | |
| 385 | E | A | -1.6415 | |
| 386 | R | A | -1.6130 | |
| 387 | A | A | 0.0000 | |
| 388 | N | A | -0.9452 | |
| 389 | S | A | 0.0000 | |
| 390 | V | A | 0.0000 | |
| 391 | T | A | 0.0000 | |
| 392 | W | A | 0.0000 | |
| 393 | N | A | 0.0000 | |
| 394 | P | A | 0.0000 | |
| 395 | H | A | 0.0000 | |
| 396 | K | A | -0.3005 | |
| 397 | M | A | 0.0000 | |
| 398 | M | A | 0.0000 | |
| 399 | G | A | -0.0069 | |
| 400 | V | A | 0.0000 | |
| 401 | P | A | 0.1838 | |
| 402 | L | A | 0.3133 | |
| 403 | Q | A | -0.5587 | |
| 404 | C | A | 0.0000 | |
| 405 | S | A | 0.0000 | |
| 406 | A | A | 0.0000 | |
| 407 | L | A | 0.0000 | |
| 408 | L | A | 0.0000 | |
| 409 | V | A | 0.0000 | |
| 410 | R | A | -1.8643 | |
| 411 | E | A | -1.7714 | |
| 412 | E | A | -2.3735 | |
| 413 | G | A | -1.3813 | |
| 414 | L | A | -1.2286 | |
| 415 | M | A | 0.0000 | |
| 416 | Q | A | -0.8372 | |
| 417 | S | A | -0.8827 | |
| 418 | C | A | 0.0000 | |
| 419 | N | A | -0.2857 | |
| 420 | Q | A | -0.3322 | |
| 421 | M | A | 0.2614 | |
| 422 | H | A | -0.7216 | |
| 423 | A | A | 0.0325 | |
| 424 | S | A | -0.0171 | |
| 425 | Y | A | 1.0375 | |
| 426 | L | A | 0.3593 | |
| 427 | F | A | 0.0000 | |
| 428 | Q | A | -1.5299 | |
| 429 | Q | A | -2.7357 | |
| 430 | D | A | -2.9989 | |
| 431 | K | A | -2.5030 | |
| 432 | H | A | -2.0994 | |
| 433 | Y | A | -1.6924 | |
| 434 | D | A | -2.0351 | |
| 435 | L | A | -1.3978 | |
| 436 | S | A | -0.4130 | |
| 437 | Y | A | -0.0566 | |
| 438 | D | A | -0.3297 | |
| 439 | T | A | 0.0000 | |
| 440 | G | A | 0.0000 | |
| 441 | D | A | 0.0000 | |
| 442 | K | A | 0.0000 | |
| 443 | A | A | 0.0000 | |
| 444 | L | A | 0.9543 | |
| 445 | Q | A | 0.2459 | |
| 446 | C | A | 0.2819 | |
| 447 | G | A | -0.4657 | |
| 448 | R | A | 0.0000 | |
| 449 | H | A | -1.4218 | |
| 450 | V | A | 0.0000 | |
| 451 | D | A | 0.0000 | |
| 452 | V | A | 0.0000 | |
| 453 | F | A | 0.0000 | |
| 454 | K | A | 0.0000 | |
| 455 | L | A | 0.0000 | |
| 456 | W | A | 0.1094 | |
| 457 | L | A | -0.2134 | |
| 458 | M | A | 0.0000 | |
| 459 | W | A | 0.0000 | |
| 460 | R | A | -1.8745 | |
| 461 | A | A | -1.0271 | |
| 462 | K | A | -1.3015 | |
| 463 | G | A | -1.1137 | |
| 464 | T | A | -0.6456 | |
| 465 | T | A | -0.6252 | |
| 466 | G | A | -0.7760 | |
| 467 | F | A | 0.0000 | |
| 468 | E | A | -1.1287 | |
| 469 | A | A | -0.6900 | |
| 470 | H | A | -0.7078 | |
| 471 | I | A | 0.0000 | |
| 472 | D | A | -1.5054 | |
| 473 | K | A | -1.3830 | |
| 474 | C | A | 0.0000 | |
| 475 | L | A | 0.0000 | |
| 476 | E | A | -1.6785 | |
| 477 | L | A | 0.0000 | |
| 478 | A | A | 0.0000 | |
| 479 | E | A | -1.3155 | |
| 480 | Y | A | -0.5602 | |
| 481 | L | A | 0.0000 | |
| 482 | Y | A | -0.9423 | |
| 483 | N | A | -1.2060 | |
| 484 | I | A | -0.5785 | |
| 485 | I | A | 0.0000 | |
| 486 | K | A | -2.5941 | |
| 487 | N | A | -2.7443 | |
| 488 | R | A | -2.8512 | |
| 489 | E | A | -2.9845 | |
| 490 | G | A | 0.0000 | |
| 491 | Y | A | 0.0000 | |
| 492 | E | A | -1.7872 | |
| 493 | M | A | -1.1416 | |
| 494 | V | A | 0.0000 | |
| 495 | F | A | 0.0000 | |
| 496 | D | A | -2.7002 | |
| 497 | G | A | -1.9423 | |
| 498 | K | A | -1.9109 | |
| 499 | P | A | -1.0707 | |
| 500 | Q | A | -0.6535 | |
| 501 | H | A | 0.0000 | |
| 502 | T | A | 0.0000 | |
| 503 | N | A | 0.0000 | |
| 504 | V | A | 0.0000 | |
| 505 | C | A | 0.0000 | |
| 506 | F | A | 0.0000 | |
| 507 | W | A | 0.0000 | |
| 508 | F | A | 0.0000 | |
| 509 | V | A | 0.0000 | |
| 510 | P | A | 0.0000 | |
| 511 | P | A | -0.8792 | |
| 512 | S | A | -0.5212 | |
| 513 | L | A | 0.0000 | |
| 514 | R | A | -0.5579 | |
| 515 | V | A | 0.9750 | |
| 516 | L | A | -0.4456 | |
| 517 | E | A | -2.6003 | |
| 518 | D | A | -3.0837 | |
| 519 | N | A | -2.8302 | |
| 520 | E | A | -3.3714 | |
| 521 | E | A | -3.1467 | |
| 522 | R | A | 0.0000 | |
| 523 | M | A | -2.3217 | |
| 524 | S | A | -2.2916 | |
| 525 | R | A | -2.9151 | |
| 526 | L | A | 0.0000 | |
| 527 | S | A | -1.6208 | |
| 528 | K | A | -2.0674 | |
| 529 | V | A | 0.0000 | |
| 530 | A | A | 0.0000 | |
| 531 | P | A | -0.3129 | |
| 532 | V | A | 0.2269 | |
| 533 | I | A | 0.0000 | |
| 534 | K | A | -0.0820 | |
| 535 | A | A | -0.1983 | |
| 536 | R | A | -0.5615 | |
| 537 | M | A | 0.0000 | |
| 538 | M | A | -0.7893 | |
| 539 | E | A | -1.6385 | |
| 540 | Y | A | -0.2651 | |
| 541 | G | A | 0.0000 | |
| 542 | T | A | -0.6254 | |
| 543 | T | A | 0.0000 | |
| 544 | M | A | 0.0000 | |
| 545 | V | A | 0.0000 | |
| 546 | S | A | -0.2598 | |
| 547 | Y | A | 0.0854 | |
| 548 | Q | A | -0.3452 | |
| 549 | P | A | -0.8131 | |
| 550 | L | A | -0.9906 | |
| 551 | G | A | -1.5770 | |
| 552 | D | A | -2.1981 | |
| 553 | K | A | -1.4439 | |
| 554 | V | A | -1.0699 | |
| 555 | N | A | -0.8244 | |
| 556 | F | A | 0.0000 | |
| 557 | F | A | 0.0000 | |
| 558 | R | A | -0.3160 | |
| 559 | M | A | 0.0000 | |
| 560 | V | A | 0.0000 | |
| 561 | I | A | 0.0000 | |
| 562 | S | A | 0.0000 | |
| 563 | N | A | 0.0000 | |
| 564 | P | A | -0.2914 | |
| 565 | A | A | 0.1192 | |
| 566 | A | A | 0.0000 | |
| 567 | T | A | -0.8142 | |
| 568 | H | A | -1.2652 | |
| 569 | Q | A | -1.5910 | |
| 570 | D | A | 0.0000 | |
| 571 | I | A | 0.0000 | |
| 572 | D | A | -1.4577 | |
| 573 | F | A | -1.0766 | |
| 574 | L | A | 0.0000 | |
| 575 | I | A | 0.0000 | |
| 576 | E | A | -2.2594 | |
| 577 | E | A | 0.0000 | |
| 578 | I | A | 0.0000 | |
| 579 | E | A | -1.9900 | |
| 580 | R | A | -2.2210 | |
| 581 | L | A | 0.0000 | |
| 582 | G | A | 0.0000 | |
| 583 | Q | A | -2.3532 | |
| 584 | D | A | -2.3586 | |
| 585 | L | A | -1.0718 |
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 | -0.3491 | 5.971 | View | CSV | PDB |
| 4.5 | -0.4075 | 5.971 | View | CSV | PDB |
| 5.0 | -0.4794 | 5.971 | View | CSV | PDB |
| 5.5 | -0.5515 | 5.971 | View | CSV | PDB |
| 6.0 | -0.6094 | 5.971 | View | CSV | PDB |
| 6.5 | -0.6423 | 5.971 | View | CSV | PDB |
| 7.0 | -0.6485 | 5.971 | View | CSV | PDB |
| 7.5 | -0.6348 | 5.971 | View | CSV | PDB |
| 8.0 | -0.6092 | 5.971 | View | CSV | PDB |
| 8.5 | -0.5749 | 5.971 | View | CSV | PDB |
| 9.0 | -0.5317 | 5.971 | 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