| Chain sequence(s) | MSSSYAKNGAADGPHSPSSQVARGTTTRRSRLKRSDGSTTSTSFILRQGSADSYTSRPSDSDVSLEEDREAIRQEREQQAAIQLERAKSKPVAFAVKTNVSYCGALDEDVPVPSTAISFDAKDFLHIKEKYNNDWWIGRLVKEGCEIGFIPSPLRLENIRIQQEQKRGRFHGGKSSGNSSSSLGEMVSGTFRATPTTTAKQKQKVTEHIPPYDVVPSMRPVVLVGPSLKGYEVTDMMQKALFDFLKHRFDGRISITRVTADISLAKRSVLNNPSKRAIIERSNTRSSLAEVQSEIERIFELARSLQLVVLDADTINHPAQLIKTSLAPIIVHVKVSSPKVLQRLIKSRGKSQSKHLNVQLVAADKLAQCPPEMFDVILDENQLEDACEHLGEYLEAYWRATHTSSSTPMTPLLGRNVGSTALSPYPTAISGLQSQRMRHSNHSTENSPIERRSLMTSDENYHNERARKSRNRLSSSSQHSRDHYPLVEEDYPDSYQDTYKPHRNRGSPGGCSHDSRHRL 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 (00:07:28)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/9b805220605fbb/tmp/folded.pdb (00:07:28)
[INFO] Main: Simulation completed successfully. (00:11:56)
|
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 | 0.8654 | |
| 2 | S | A | 0.1869 | |
| 3 | S | A | 0.0745 | |
| 4 | S | A | 0.3719 | |
| 5 | Y | A | 0.8512 | |
| 6 | A | A | -0.3154 | |
| 7 | K | A | -2.1451 | |
| 8 | N | A | -2.3427 | |
| 9 | G | A | -1.4036 | |
| 10 | A | A | -0.7980 | |
| 11 | A | A | -0.9579 | |
| 12 | D | A | -2.0335 | |
| 13 | G | A | -1.6956 | |
| 14 | P | A | -1.4708 | |
| 15 | H | A | -1.3915 | |
| 16 | S | A | -0.9146 | |
| 17 | P | A | -0.7450 | |
| 18 | S | A | -0.5902 | |
| 19 | S | A | -0.5015 | |
| 20 | Q | A | -0.4840 | |
| 21 | V | A | 0.7194 | |
| 22 | A | A | -0.3808 | |
| 23 | R | A | -1.7049 | |
| 24 | G | A | -1.2035 | |
| 25 | T | A | -0.8263 | |
| 26 | T | A | -0.8315 | |
| 27 | T | A | -1.3867 | |
| 28 | R | A | -3.1437 | |
| 29 | R | A | -3.2762 | |
| 30 | S | A | -2.2766 | |
| 31 | R | A | -2.4706 | |
| 32 | L | A | -0.8735 | |
| 33 | K | A | -2.5564 | |
| 34 | R | A | -3.0461 | |
| 35 | S | A | -2.4913 | |
| 36 | D | A | -2.7558 | |
| 37 | G | A | -1.6971 | |
| 38 | S | A | -0.9435 | |
| 39 | T | A | -0.3714 | |
| 40 | T | A | -0.3292 | |
| 41 | S | A | -0.3703 | |
| 42 | T | A | 0.1083 | |
| 43 | S | A | 1.2669 | |
| 44 | F | A | 2.9558 | |
| 45 | I | A | 3.2474 | |
| 46 | L | A | 1.6836 | |
| 47 | R | A | -1.0887 | |
| 48 | Q | A | -2.0041 | |
| 49 | G | A | -1.6178 | |
| 50 | S | A | -1.2201 | |
| 51 | A | A | -1.0162 | |
| 52 | D | A | -1.6529 | |
| 53 | S | A | -0.4959 | |
| 54 | Y | A | 0.4039 | |
| 55 | T | A | -0.3390 | |
| 56 | S | A | -0.8984 | |
| 57 | R | A | -2.2057 | |
| 58 | P | A | -1.8498 | |
| 59 | S | A | -1.9050 | |
| 60 | D | A | -2.3958 | |
| 61 | S | A | -1.4716 | |
| 62 | D | A | -1.8724 | |
| 63 | V | A | -0.6291 | |
| 64 | S | A | -1.5937 | |
| 65 | L | A | -1.2258 | |
| 66 | E | A | -3.0508 | |
| 67 | E | A | -3.6009 | |
| 68 | D | A | -3.4337 | |
| 69 | R | A | -3.9930 | |
| 70 | E | A | -3.8056 | |
| 71 | A | A | -2.8841 | |
| 72 | I | A | -2.1526 | |
| 73 | R | A | -4.0570 | |
| 74 | Q | A | -3.8881 | |
| 75 | E | A | -4.0920 | |
| 76 | R | A | -3.9029 | |
| 77 | E | A | -3.2977 | |
| 78 | Q | A | -3.1961 | |
| 79 | Q | A | -3.0827 | |
| 80 | A | A | 0.0000 | |
| 81 | A | A | -1.7502 | |
| 82 | I | A | -1.4140 | |
| 83 | Q | A | -1.8526 | |
| 84 | L | A | -1.7792 | |
| 85 | E | A | -2.9785 | |
| 86 | R | A | -3.1758 | |
| 87 | A | A | 0.0000 | |
| 88 | K | A | -3.0066 | |
| 89 | S | A | -2.0401 | |
| 90 | K | A | -1.9871 | |
| 91 | P | A | -0.9800 | |
| 92 | V | A | -0.4565 | |
| 93 | A | A | -0.3524 | |
| 94 | F | A | 0.6201 | |
| 95 | A | A | 0.0000 | |
| 96 | V | A | 0.0000 | |
| 97 | K | A | -0.5399 | |
| 98 | T | A | 0.0000 | |
| 99 | N | A | -0.7396 | |
| 100 | V | A | -0.5967 | |
| 101 | S | A | -1.2230 | |
| 102 | Y | A | 0.0000 | |
| 103 | C | A | 0.4664 | |
| 104 | G | A | 0.0687 | |
| 105 | A | A | 0.4558 | |
| 106 | L | A | 0.9323 | |
| 107 | D | A | -0.7127 | |
| 108 | E | A | -2.4080 | |
| 109 | D | A | -2.5979 | |
| 110 | V | A | -1.3698 | |
| 111 | P | A | -1.6722 | |
| 112 | V | A | -1.2720 | |
| 113 | P | A | -0.9814 | |
| 114 | S | A | -0.3620 | |
| 115 | T | A | -0.3276 | |
| 116 | A | A | -0.2521 | |
| 117 | I | A | 0.0000 | |
| 118 | S | A | -0.1844 | |
| 119 | F | A | 0.0000 | |
| 120 | D | A | -2.3489 | |
| 121 | A | A | -1.8594 | |
| 122 | K | A | -2.3924 | |
| 123 | D | A | -1.8409 | |
| 124 | F | A | -0.6661 | |
| 125 | L | A | 0.0000 | |
| 126 | H | A | 0.0000 | |
| 127 | I | A | 0.0000 | |
| 128 | K | A | -0.8587 | |
| 129 | E | A | -1.1663 | |
| 130 | K | A | -2.1391 | |
| 131 | Y | A | -1.2546 | |
| 132 | N | A | -1.5908 | |
| 133 | N | A | -1.8024 | |
| 134 | D | A | -1.6895 | |
| 135 | W | A | 0.0000 | |
| 136 | W | A | -1.0676 | |
| 137 | I | A | 0.0000 | |
| 138 | G | A | 0.0000 | |
| 139 | R | A | 0.0000 | |
| 140 | L | A | -0.8747 | |
| 141 | V | A | 0.0000 | |
| 142 | K | A | -2.8967 | |
| 143 | E | A | -3.4162 | |
| 144 | G | A | -2.3210 | |
| 145 | C | A | -1.9356 | |
| 146 | E | A | -2.5045 | |
| 147 | I | A | 0.0000 | |
| 148 | G | A | 0.0000 | |
| 149 | F | A | 0.0000 | |
| 150 | I | A | 0.0000 | |
| 151 | P | A | 0.0000 | |
| 152 | S | A | 0.0000 | |
| 153 | P | A | -0.3047 | |
| 154 | L | A | -0.0553 | |
| 155 | R | A | -1.0220 | |
| 156 | L | A | 0.0000 | |
| 157 | E | A | -1.9494 | |
| 158 | N | A | -1.7119 | |
| 159 | I | A | -1.3267 | |
| 160 | R | A | -2.2844 | |
| 161 | I | A | -1.4690 | |
| 162 | Q | A | -3.0347 | |
| 163 | Q | A | -3.7588 | |
| 164 | E | A | -4.1891 | |
| 165 | Q | A | -4.0576 | |
| 166 | K | A | -4.4765 | |
| 167 | R | A | -4.2987 | |
| 168 | G | A | -3.6862 | |
| 169 | R | A | -3.1552 | |
| 170 | F | A | -0.7635 | |
| 171 | H | A | -1.7042 | |
| 172 | G | A | -1.9111 | |
| 173 | G | A | -1.7625 | |
| 174 | K | A | -2.4206 | |
| 175 | S | A | -1.4294 | |
| 176 | S | A | -1.2040 | |
| 177 | G | A | -1.5349 | |
| 178 | N | A | -1.6950 | |
| 179 | S | A | -1.0824 | |
| 180 | S | A | -0.7234 | |
| 181 | S | A | -0.1449 | |
| 182 | S | A | 0.3942 | |
| 183 | L | A | 0.7546 | |
| 184 | G | A | -0.5929 | |
| 185 | E | A | -0.8671 | |
| 186 | M | A | 0.8383 | |
| 187 | V | A | 1.6928 | |
| 188 | S | A | 0.8716 | |
| 189 | G | A | 0.1633 | |
| 190 | T | A | 0.3407 | |
| 191 | F | A | 0.9019 | |
| 192 | R | A | -0.9928 | |
| 193 | A | A | -0.4533 | |
| 194 | T | A | -0.5966 | |
| 195 | P | A | -0.5394 | |
| 196 | T | A | -0.2522 | |
| 197 | T | A | -0.3758 | |
| 198 | T | A | -0.6320 | |
| 199 | A | A | -1.4295 | |
| 200 | K | A | -2.9051 | |
| 201 | Q | A | -3.4383 | |
| 202 | K | A | -3.5608 | |
| 203 | Q | A | -2.8833 | |
| 204 | K | A | -2.3834 | |
| 205 | V | A | -0.3734 | |
| 206 | T | A | -0.7741 | |
| 207 | E | A | -1.5462 | |
| 208 | H | A | -0.6882 | |
| 209 | I | A | 0.9291 | |
| 210 | P | A | 0.2848 | |
| 211 | P | A | 0.0873 | |
| 212 | Y | A | 0.0000 | |
| 213 | D | A | 0.0000 | |
| 214 | V | A | 1.6450 | |
| 215 | V | A | 0.0000 | |
| 216 | P | A | 0.0000 | |
| 217 | S | A | 0.0000 | |
| 218 | M | A | 0.0000 | |
| 219 | R | A | -0.1843 | |
| 220 | P | A | 0.0000 | |
| 221 | V | A | 0.0000 | |
| 222 | V | A | 0.0000 | |
| 223 | L | A | 0.0000 | |
| 224 | V | A | 0.0000 | |
| 225 | G | A | 0.0000 | |
| 226 | P | A | 0.0000 | |
| 227 | S | A | 0.0000 | |
| 228 | L | A | 0.1588 | |
| 229 | K | A | -0.5897 | |
| 230 | G | A | -0.7157 | |
| 231 | Y | A | -0.5172 | |
| 232 | E | A | -0.7316 | |
| 233 | V | A | 0.0000 | |
| 234 | T | A | 0.0000 | |
| 235 | D | A | -1.0061 | |
| 236 | M | A | -0.4821 | |
| 237 | M | A | -0.1757 | |
| 238 | Q | A | 0.0000 | |
| 239 | K | A | -1.8762 | |
| 240 | A | A | -0.7754 | |
| 241 | L | A | 0.0000 | |
| 242 | F | A | 0.0000 | |
| 243 | D | A | -2.0609 | |
| 244 | F | A | -1.7550 | |
| 245 | L | A | 0.0000 | |
| 246 | K | A | -2.8338 | |
| 247 | H | A | -2.9904 | |
| 248 | R | A | -2.8532 | |
| 249 | F | A | 0.0000 | |
| 250 | D | A | -3.1414 | |
| 251 | G | A | -1.9667 | |
| 252 | R | A | -1.6705 | |
| 253 | I | A | -1.1500 | |
| 254 | S | A | -0.3028 | |
| 255 | I | A | -0.1868 | |
| 256 | T | A | -0.7029 | |
| 257 | R | A | -2.0515 | |
| 258 | V | A | 0.0000 | |
| 259 | T | A | -1.2407 | |
| 260 | A | A | 0.0000 | |
| 261 | D | A | -0.9023 | |
| 262 | I | A | 0.0000 | |
| 263 | S | A | -0.1594 | |
| 264 | L | A | -0.1647 | |
| 265 | A | A | 0.0000 | |
| 266 | K | A | -1.0714 | |
| 267 | R | A | -1.0375 | |
| 268 | S | A | -1.6580 | |
| 269 | V | A | -1.0065 | |
| 270 | L | A | -1.1626 | |
| 271 | N | A | -1.9457 | |
| 272 | N | A | -1.8240 | |
| 273 | P | A | -1.3480 | |
| 274 | S | A | -0.9940 | |
| 275 | K | A | -1.1709 | |
| 276 | R | A | -0.8321 | |
| 277 | A | A | -0.2613 | |
| 278 | I | A | 0.7681 | |
| 279 | I | A | -0.5959 | |
| 280 | E | A | -2.3325 | |
| 281 | R | A | -2.4805 | |
| 282 | S | A | -2.1534 | |
| 283 | N | A | -2.5540 | |
| 284 | T | A | -2.1635 | |
| 285 | R | A | -2.2757 | |
| 286 | S | A | 0.0000 | |
| 287 | S | A | -1.4243 | |
| 288 | L | A | 0.0000 | |
| 289 | A | A | -0.8152 | |
| 290 | E | A | -1.8241 | |
| 291 | V | A | 0.0000 | |
| 292 | Q | A | -1.4061 | |
| 293 | S | A | -1.6484 | |
| 294 | E | A | -1.6831 | |
| 295 | I | A | 0.0000 | |
| 296 | E | A | -2.6776 | |
| 297 | R | A | -2.1069 | |
| 298 | I | A | 0.0000 | |
| 299 | F | A | -1.6124 | |
| 300 | E | A | -2.7493 | |
| 301 | L | A | -1.3444 | |
| 302 | A | A | 0.0000 | |
| 303 | R | A | -2.2993 | |
| 304 | S | A | -1.3686 | |
| 305 | L | A | -0.8928 | |
| 306 | Q | A | -0.8463 | |
| 307 | L | A | 0.0000 | |
| 308 | V | A | 0.0000 | |
| 309 | V | A | 0.0000 | |
| 310 | L | A | 0.0000 | |
| 311 | D | A | -1.5641 | |
| 312 | A | A | 0.0000 | |
| 313 | D | A | -1.3941 | |
| 314 | T | A | -0.6724 | |
| 315 | I | A | 0.0000 | |
| 316 | N | A | -0.6171 | |
| 317 | H | A | -0.4002 | |
| 318 | P | A | 0.0000 | |
| 319 | A | A | 0.1671 | |
| 320 | Q | A | -0.2426 | |
| 321 | L | A | 0.0000 | |
| 322 | I | A | 0.8909 | |
| 323 | K | A | -0.7129 | |
| 324 | T | A | 0.0000 | |
| 325 | S | A | 0.1663 | |
| 326 | L | A | 0.0000 | |
| 327 | A | A | 0.1298 | |
| 328 | P | A | 0.0000 | |
| 329 | I | A | 0.0000 | |
| 330 | I | A | 0.0000 | |
| 331 | V | A | 0.0000 | |
| 332 | H | A | 0.0000 | |
| 333 | V | A | -0.1634 | |
| 334 | K | A | -0.9500 | |
| 335 | V | A | -0.6415 | |
| 336 | S | A | -0.8967 | |
| 337 | S | A | -0.6442 | |
| 338 | P | A | -1.2493 | |
| 339 | K | A | -1.8165 | |
| 340 | V | A | -0.5894 | |
| 341 | L | A | 0.0000 | |
| 342 | Q | A | -1.9601 | |
| 343 | R | A | -2.6285 | |
| 344 | L | A | -1.4722 | |
| 345 | I | A | 0.0000 | |
| 346 | K | A | -3.1256 | |
| 347 | S | A | -2.1896 | |
| 348 | R | A | -2.4495 | |
| 349 | G | A | -2.3781 | |
| 350 | K | A | -2.9495 | |
| 351 | S | A | -2.0395 | |
| 352 | Q | A | -2.0727 | |
| 353 | S | A | -2.8413 | |
| 354 | K | A | -2.6808 | |
| 355 | H | A | -1.5925 | |
| 356 | L | A | -1.3509 | |
| 357 | N | A | -0.8763 | |
| 358 | V | A | 0.2119 | |
| 359 | Q | A | 0.0000 | |
| 360 | L | A | -0.2142 | |
| 361 | V | A | 0.4360 | |
| 362 | A | A | 0.0000 | |
| 363 | A | A | -0.8942 | |
| 364 | D | A | -1.8001 | |
| 365 | K | A | -2.1779 | |
| 366 | L | A | 0.0000 | |
| 367 | A | A | -1.4972 | |
| 368 | Q | A | -2.1125 | |
| 369 | C | A | 0.0000 | |
| 370 | P | A | -1.0461 | |
| 371 | P | A | -1.1870 | |
| 372 | E | A | -1.9519 | |
| 373 | M | A | -0.6202 | |
| 374 | F | A | -0.5456 | |
| 375 | D | A | -0.7206 | |
| 376 | V | A | -0.1205 | |
| 377 | I | A | 0.1338 | |
| 378 | L | A | 0.0000 | |
| 379 | D | A | -2.1774 | |
| 380 | E | A | -2.5588 | |
| 381 | N | A | -2.7252 | |
| 382 | Q | A | -2.6734 | |
| 383 | L | A | -1.4679 | |
| 384 | E | A | -3.2239 | |
| 385 | D | A | -3.7713 | |
| 386 | A | A | -2.5741 | |
| 387 | C | A | 0.0000 | |
| 388 | E | A | -3.5742 | |
| 389 | H | A | -2.8363 | |
| 390 | L | A | 0.0000 | |
| 391 | G | A | 0.0000 | |
| 392 | E | A | -2.4472 | |
| 393 | Y | A | -1.2528 | |
| 394 | L | A | 0.0000 | |
| 395 | E | A | -1.0464 | |
| 396 | A | A | -1.4497 | |
| 397 | Y | A | 0.0000 | |
| 398 | W | A | -1.3514 | |
| 399 | R | A | -2.4490 | |
| 400 | A | A | 0.0000 | |
| 401 | T | A | 0.0000 | |
| 402 | H | A | -1.3891 | |
| 403 | T | A | -1.7414 | |
| 404 | S | A | -1.2133 | |
| 405 | S | A | -0.8483 | |
| 406 | S | A | -0.5681 | |
| 407 | T | A | -0.1212 | |
| 408 | P | A | 0.0743 | |
| 409 | M | A | 0.9571 | |
| 410 | T | A | 0.8898 | |
| 411 | P | A | 0.9653 | |
| 412 | L | A | 1.9452 | |
| 413 | L | A | 1.3653 | |
| 414 | G | A | -0.3298 | |
| 415 | R | A | -1.6935 | |
| 416 | N | A | -1.3737 | |
| 417 | V | A | 0.3716 | |
| 418 | G | A | -0.2412 | |
| 419 | S | A | -0.0304 | |
| 420 | T | A | 0.0884 | |
| 421 | A | A | 0.6049 | |
| 422 | L | A | 1.3780 | |
| 423 | S | A | 0.6833 | |
| 424 | P | A | 0.5522 | |
| 425 | Y | A | 0.9902 | |
| 426 | P | A | 0.4097 | |
| 427 | T | A | 0.5776 | |
| 428 | A | A | 0.9075 | |
| 429 | I | A | 1.7908 | |
| 430 | S | A | 0.9541 | |
| 431 | G | A | 0.4160 | |
| 432 | L | A | 0.6040 | |
| 433 | Q | A | -0.8625 | |
| 434 | S | A | -1.4664 | |
| 435 | Q | A | -2.2452 | |
| 436 | R | A | -2.2659 | |
| 437 | M | A | -1.2896 | |
| 438 | R | A | -2.2531 | |
| 439 | H | A | -2.0829 | |
| 440 | S | A | -1.9558 | |
| 441 | N | A | -2.1168 | |
| 442 | H | A | -1.7673 | |
| 443 | S | A | -1.4650 | |
| 444 | T | A | -1.6305 | |
| 445 | E | A | -2.5584 | |
| 446 | N | A | -2.3304 | |
| 447 | S | A | -1.0104 | |
| 448 | P | A | -0.0133 | |
| 449 | I | A | 0.6062 | |
| 450 | E | A | -2.1678 | |
| 451 | R | A | -3.3194 | |
| 452 | R | A | -2.8976 | |
| 453 | S | A | -0.6893 | |
| 454 | L | A | 1.6386 | |
| 455 | M | A | 1.8141 | |
| 456 | T | A | 0.2751 | |
| 457 | S | A | -1.0829 | |
| 458 | D | A | -3.0612 | |
| 459 | E | A | -3.2099 | |
| 460 | N | A | -2.0532 | |
| 461 | Y | A | -0.4715 | |
| 462 | H | A | -1.8622 | |
| 463 | N | A | -2.9273 | |
| 464 | E | A | -3.6166 | |
| 465 | R | A | -3.3477 | |
| 466 | A | A | -2.6606 | |
| 467 | R | A | -3.1790 | |
| 468 | K | A | -3.1694 | |
| 469 | S | A | -2.8397 | |
| 470 | R | A | -3.3193 | |
| 471 | N | A | -2.9709 | |
| 472 | R | A | -2.3319 | |
| 473 | L | A | 0.0253 | |
| 474 | S | A | 0.0310 | |
| 475 | S | A | -0.1339 | |
| 476 | S | A | -0.7114 | |
| 477 | S | A | -1.1908 | |
| 478 | Q | A | -1.8584 | |
| 479 | H | A | -2.1230 | |
| 480 | S | A | -2.3521 | |
| 481 | R | A | -3.2409 | |
| 482 | D | A | -2.9851 | |
| 483 | H | A | -1.8001 | |
| 484 | Y | A | 0.6545 | |
| 485 | P | A | 1.3116 | |
| 486 | L | A | 1.9128 | |
| 487 | V | A | 0.9860 | |
| 488 | E | A | -1.8297 | |
| 489 | E | A | -2.6785 | |
| 490 | D | A | -2.6206 | |
| 491 | Y | A | -0.8712 | |
| 492 | P | A | -1.0563 | |
| 493 | D | A | -1.6993 | |
| 494 | S | A | -0.8385 | |
| 495 | Y | A | -0.3073 | |
| 496 | Q | A | -1.6568 | |
| 497 | D | A | -2.0200 | |
| 498 | T | A | -0.9405 | |
| 499 | Y | A | -0.3615 | |
| 500 | K | A | -1.9863 | |
| 501 | P | A | -1.8673 | |
| 502 | H | A | -2.8646 | |
| 503 | R | A | -3.7881 | |
| 504 | N | A | -3.4969 | |
| 505 | R | A | -3.3678 | |
| 506 | G | A | -2.1658 | |
| 507 | S | A | -1.3041 | |
| 508 | P | A | -1.0097 | |
| 509 | G | A | -0.7749 | |
| 510 | G | A | -0.4551 | |
| 511 | C | A | -0.0759 | |
| 512 | S | A | -0.8372 | |
| 513 | H | A | -1.9997 | |
| 514 | D | A | -2.7907 | |
| 515 | S | A | -2.3942 | |
| 516 | R | A | -3.1943 | |
| 517 | H | A | -2.5819 | |
| 518 | R | A | -2.0295 | |
| 519 | L | A | 0.3994 |
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 | -1.2383 | 5.1117 | View | CSV | PDB |
| 4.5 | -1.3219 | 5.1117 | View | CSV | PDB |
| 5.0 | -1.4236 | 5.1117 | View | CSV | PDB |
| 5.5 | -1.5233 | 5.1117 | View | CSV | PDB |
| 6.0 | -1.6005 | 5.1117 | View | CSV | PDB |
| 6.5 | -1.6433 | 5.1117 | View | CSV | PDB |
| 7.0 | -1.6548 | 5.1117 | View | CSV | PDB |
| 7.5 | -1.6476 | 5.1117 | View | CSV | PDB |
| 8.0 | -1.6308 | 5.1117 | View | CSV | PDB |
| 8.5 | -1.6058 | 5.1117 | View | CSV | PDB |
| 9.0 | -1.5699 | 5.1117 | 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