| Chain sequence(s) | GVGNASGDWHCDSTWSEGHVTTTSTRTWVLPTYNNHLYKRLGESLQSNTYNGFSTPWGYFDFNRFHCHFSPRDWQRLINNNWGMRPKAMRVKIFNIQVKEVTTSNGETTVANNLTSTVQIFADSSYELPYVMDAGQEGSLPPFPNDVFMVPQYGYCGLVTGNTSQQQTDRNAFYCLEYFPSQMLRTGNNFEITYSFEKVPFHSMYAHSQSLDRLMNPLIDQYLWGLQSTTTGTTLNAGTATTNFTKLRPTNFSNFKKNWLPGPSIKQQGFSKTANQNYKIPATGSDSLIKYETHSTLDGRWSALTPGPPMATAGPADSKFSNSQLIFAGPKQNGNTATVPGTLIFTSEEELAATNATDTDMWGNLPGGDQSNSNLPTVDRLTALGAVPGMVWQNRDIYYQGPIWAKIPHTDGHFHPSPLIGGFGLKHPPPQIFIKNTPVPANPATTFSSTPVNSFITQYSTGQVSVQIDWEIQKERSKRWNPEVQFTSNYGQQNSLLWAPDAAGKYTEPRAIGTRYLTHHL 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 (00:03:37)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/d9318df873167/tmp/folded.pdb (00:03:37)
[INFO] Main: Simulation completed successfully. (00:14:44)
|
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 | |
| 18 | G | A | -0.5435 | |
| 19 | V | A | 0.6222 | |
| 20 | G | A | -0.4008 | |
| 21 | N | A | -1.2684 | |
| 22 | A | A | -1.0974 | |
| 23 | S | A | -1.1897 | |
| 24 | G | A | -1.4735 | |
| 25 | D | A | -1.7993 | |
| 26 | W | A | -0.8704 | |
| 27 | H | A | -1.5107 | |
| 28 | C | A | -1.1826 | |
| 29 | D | A | -1.9235 | |
| 30 | S | A | -1.0428 | |
| 31 | T | A | -0.5718 | |
| 32 | W | A | -0.6454 | |
| 33 | S | A | -1.2258 | |
| 34 | E | A | -2.3269 | |
| 35 | G | A | -1.6948 | |
| 36 | H | A | -1.5355 | |
| 37 | V | A | 0.0000 | |
| 38 | T | A | -0.7678 | |
| 39 | T | A | 0.0000 | |
| 40 | T | A | -1.0354 | |
| 41 | S | A | 0.0000 | |
| 42 | T | A | 0.0000 | |
| 43 | R | A | 0.0000 | |
| 44 | T | A | 0.1808 | |
| 45 | W | A | 0.0000 | |
| 46 | V | A | 0.9259 | |
| 47 | L | A | 0.0000 | |
| 48 | P | A | 0.1037 | |
| 49 | T | A | -0.2637 | |
| 50 | Y | A | -0.2447 | |
| 51 | N | A | -0.7072 | |
| 52 | N | A | -1.2050 | |
| 53 | H | A | -0.4003 | |
| 54 | L | A | 0.2041 | |
| 55 | Y | A | -0.1534 | |
| 56 | K | A | -1.3139 | |
| 57 | R | A | -1.1655 | |
| 58 | L | A | -0.6285 | |
| 59 | G | A | -1.1012 | |
| 60 | E | A | -1.7170 | |
| 61 | S | A | -1.2830 | |
| 62 | L | A | -0.6646 | |
| 63 | Q | A | -1.6468 | |
| 64 | S | A | -1.1651 | |
| 65 | N | A | -1.6376 | |
| 66 | T | A | 0.0000 | |
| 67 | Y | A | -0.4756 | |
| 68 | N | A | 0.0000 | |
| 69 | G | A | 0.0000 | |
| 70 | F | A | -0.0154 | |
| 71 | S | A | -0.3657 | |
| 72 | T | A | 0.0000 | |
| 73 | P | A | 0.0000 | |
| 74 | W | A | 0.0000 | |
| 75 | G | A | 0.0000 | |
| 76 | Y | A | 0.0000 | |
| 77 | F | A | 0.0000 | |
| 78 | D | A | 0.0000 | |
| 79 | F | A | 0.0000 | |
| 80 | N | A | 0.0000 | |
| 81 | R | A | -0.6680 | |
| 82 | F | A | 0.0000 | |
| 83 | H | A | 0.0000 | |
| 84 | C | A | 0.0000 | |
| 85 | H | A | 0.0000 | |
| 86 | F | A | 0.0000 | |
| 87 | S | A | -1.0588 | |
| 88 | P | A | -1.2653 | |
| 89 | R | A | -2.3974 | |
| 90 | D | A | 0.0000 | |
| 91 | W | A | 0.0000 | |
| 92 | Q | A | -2.0363 | |
| 93 | R | A | -2.3661 | |
| 94 | L | A | 0.0000 | |
| 95 | I | A | 0.0000 | |
| 96 | N | A | -0.9903 | |
| 97 | N | A | -1.7783 | |
| 98 | N | A | 0.0000 | |
| 99 | W | A | -0.6705 | |
| 100 | G | A | 0.0000 | |
| 101 | M | A | 0.0000 | |
| 102 | R | A | -1.0737 | |
| 103 | P | A | 0.0000 | |
| 104 | K | A | -1.9442 | |
| 105 | A | A | -1.1777 | |
| 106 | M | A | 0.0000 | |
| 107 | R | A | -1.6571 | |
| 108 | V | A | 0.0000 | |
| 109 | K | A | -1.5887 | |
| 110 | I | A | 0.0000 | |
| 111 | F | A | 0.0000 | |
| 112 | N | A | -1.2404 | |
| 113 | I | A | 0.0000 | |
| 114 | Q | A | -1.0228 | |
| 115 | V | A | 0.0000 | |
| 116 | K | A | -0.5360 | |
| 117 | E | A | -0.1548 | |
| 118 | V | A | 0.4181 | |
| 119 | T | A | -0.0877 | |
| 120 | T | A | -0.9891 | |
| 121 | S | A | -1.6396 | |
| 122 | N | A | -2.1949 | |
| 123 | G | A | -2.0691 | |
| 124 | E | A | -2.5862 | |
| 125 | T | A | -1.0044 | |
| 126 | T | A | 0.0247 | |
| 127 | V | A | 0.9188 | |
| 128 | A | A | -0.0490 | |
| 129 | N | A | -1.1165 | |
| 130 | N | A | -0.6294 | |
| 131 | L | A | 0.3028 | |
| 132 | T | A | 0.0069 | |
| 133 | S | A | 0.0000 | |
| 134 | T | A | -0.5013 | |
| 135 | V | A | 0.0000 | |
| 136 | Q | A | -0.4543 | |
| 137 | I | A | 0.0000 | |
| 138 | F | A | 0.0000 | |
| 139 | A | A | -0.3505 | |
| 140 | D | A | 0.0000 | |
| 141 | S | A | -0.6259 | |
| 142 | S | A | -0.8965 | |
| 143 | Y | A | -1.1064 | |
| 144 | E | A | -1.7011 | |
| 145 | L | A | 0.0000 | |
| 146 | P | A | -0.0925 | |
| 147 | Y | A | -0.0467 | |
| 148 | V | A | 0.1224 | |
| 149 | M | A | 0.0000 | |
| 150 | D | A | -0.5513 | |
| 151 | A | A | -0.7640 | |
| 152 | G | A | -1.4468 | |
| 153 | Q | A | -2.3278 | |
| 154 | E | A | -2.5565 | |
| 155 | G | A | -1.2112 | |
| 156 | S | A | -0.8753 | |
| 157 | L | A | 0.0000 | |
| 158 | P | A | -0.4231 | |
| 159 | P | A | -0.4630 | |
| 160 | F | A | -0.5405 | |
| 161 | P | A | -0.7598 | |
| 162 | N | A | -1.6326 | |
| 163 | D | A | -1.6437 | |
| 164 | V | A | 0.8573 | |
| 165 | F | A | 0.0000 | |
| 166 | M | A | 1.3263 | |
| 167 | V | A | 0.0000 | |
| 168 | P | A | -0.4325 | |
| 169 | Q | A | -0.3837 | |
| 170 | Y | A | 0.0000 | |
| 171 | G | A | -0.1758 | |
| 172 | Y | A | 0.0000 | |
| 173 | C | A | 1.0048 | |
| 174 | G | A | 0.4670 | |
| 175 | L | A | -0.2180 | |
| 176 | V | A | 0.0000 | |
| 177 | T | A | -0.9582 | |
| 178 | G | A | -1.2699 | |
| 179 | N | A | -1.4740 | |
| 180 | T | A | -1.1919 | |
| 181 | S | A | -1.1646 | |
| 182 | Q | A | -1.5204 | |
| 183 | Q | A | -1.7845 | |
| 184 | Q | A | -1.8939 | |
| 185 | T | A | -2.0782 | |
| 186 | D | A | -2.8197 | |
| 187 | R | A | -2.6502 | |
| 188 | N | A | -1.3687 | |
| 189 | A | A | 0.2212 | |
| 190 | F | A | 1.7153 | |
| 191 | Y | A | 1.2511 | |
| 192 | C | A | 0.9353 | |
| 193 | L | A | 0.0000 | |
| 194 | E | A | -0.2881 | |
| 195 | Y | A | 0.9871 | |
| 196 | F | A | 0.1583 | |
| 197 | P | A | -0.2210 | |
| 198 | S | A | -0.4999 | |
| 199 | Q | A | -0.9559 | |
| 200 | M | A | -0.1564 | |
| 201 | L | A | 0.0000 | |
| 202 | R | A | -1.5702 | |
| 203 | T | A | -1.2321 | |
| 204 | G | A | -1.1857 | |
| 205 | N | A | -1.7231 | |
| 206 | N | A | -1.8843 | |
| 207 | F | A | 0.0000 | |
| 208 | E | A | -2.2295 | |
| 209 | I | A | -1.0607 | |
| 210 | T | A | -0.8484 | |
| 211 | Y | A | -0.4601 | |
| 212 | S | A | -1.0993 | |
| 213 | F | A | 0.0000 | |
| 214 | E | A | -2.0109 | |
| 215 | K | A | -2.1914 | |
| 216 | V | A | 0.0000 | |
| 217 | P | A | -0.5291 | |
| 218 | F | A | -0.1338 | |
| 219 | H | A | -0.0999 | |
| 220 | S | A | -0.0630 | |
| 221 | M | A | 0.0000 | |
| 222 | Y | A | -0.0127 | |
| 223 | A | A | -0.4313 | |
| 224 | H | A | -0.6338 | |
| 225 | S | A | -0.9535 | |
| 226 | Q | A | -1.1714 | |
| 227 | S | A | -0.9193 | |
| 228 | L | A | 0.0000 | |
| 229 | D | A | -1.6282 | |
| 230 | R | A | -1.3445 | |
| 231 | L | A | -0.5691 | |
| 232 | M | A | -0.3402 | |
| 233 | N | A | -0.1204 | |
| 234 | P | A | 0.2358 | |
| 235 | L | A | 1.5891 | |
| 236 | I | A | 1.5492 | |
| 237 | D | A | 0.0737 | |
| 238 | Q | A | 0.0333 | |
| 239 | Y | A | 1.3350 | |
| 240 | L | A | 0.6548 | |
| 241 | W | A | 1.1504 | |
| 242 | G | A | 0.7069 | |
| 243 | L | A | 1.2661 | |
| 244 | Q | A | -0.2850 | |
| 245 | S | A | -0.1820 | |
| 246 | T | A | -0.1165 | |
| 247 | T | A | -0.5713 | |
| 248 | T | A | -0.4095 | |
| 249 | G | A | -0.4788 | |
| 250 | T | A | -0.2060 | |
| 251 | T | A | 0.1108 | |
| 252 | L | A | 0.8780 | |
| 253 | N | A | -0.6132 | |
| 254 | A | A | -0.4597 | |
| 255 | G | A | -0.6862 | |
| 256 | T | A | -0.5261 | |
| 257 | A | A | -0.5181 | |
| 258 | T | A | -0.0742 | |
| 259 | T | A | 0.1576 | |
| 260 | N | A | 0.3548 | |
| 261 | F | A | 1.8623 | |
| 262 | T | A | 0.5441 | |
| 263 | K | A | -0.1397 | |
| 264 | L | A | 0.0000 | |
| 265 | R | A | -1.3974 | |
| 266 | P | A | -0.5807 | |
| 267 | T | A | -0.7627 | |
| 268 | N | A | -1.2668 | |
| 269 | F | A | -1.4187 | |
| 270 | S | A | -1.4009 | |
| 271 | N | A | -1.9918 | |
| 272 | F | A | 0.0000 | |
| 273 | K | A | -2.4742 | |
| 274 | K | A | -2.2607 | |
| 275 | N | A | -1.6837 | |
| 276 | W | A | -0.2285 | |
| 277 | L | A | 0.5720 | |
| 278 | P | A | 0.5786 | |
| 279 | G | A | 0.0000 | |
| 280 | P | A | 0.4584 | |
| 281 | S | A | 0.0000 | |
| 282 | I | A | 0.4910 | |
| 283 | K | A | -0.5372 | |
| 284 | Q | A | 0.0000 | |
| 285 | Q | A | -0.9180 | |
| 286 | G | A | -0.8752 | |
| 287 | F | A | -0.4361 | |
| 288 | S | A | -1.1740 | |
| 289 | K | A | -0.9950 | |
| 290 | T | A | -0.9507 | |
| 291 | A | A | -0.9835 | |
| 292 | N | A | -2.0284 | |
| 293 | Q | A | -2.0920 | |
| 294 | N | A | -1.1876 | |
| 295 | Y | A | -0.0914 | |
| 296 | K | A | -1.2641 | |
| 297 | I | A | -0.2385 | |
| 298 | P | A | -0.3097 | |
| 299 | A | A | -0.1249 | |
| 300 | T | A | -0.4010 | |
| 301 | G | A | -0.9086 | |
| 302 | S | A | -0.9696 | |
| 303 | D | A | -1.1350 | |
| 304 | S | A | 0.0000 | |
| 305 | L | A | 0.2474 | |
| 306 | I | A | 0.3658 | |
| 307 | K | A | -0.4581 | |
| 308 | Y | A | 0.0980 | |
| 309 | E | A | -0.2533 | |
| 310 | T | A | -0.1794 | |
| 311 | H | A | -0.0733 | |
| 312 | S | A | -0.0322 | |
| 313 | T | A | 0.1006 | |
| 314 | L | A | 0.3949 | |
| 315 | D | A | -1.4012 | |
| 316 | G | A | -1.1209 | |
| 317 | R | A | -0.9586 | |
| 318 | W | A | -0.2373 | |
| 319 | S | A | -0.0040 | |
| 320 | A | A | 0.0575 | |
| 321 | L | A | 0.2105 | |
| 322 | T | A | 0.1195 | |
| 323 | P | A | 0.0000 | |
| 324 | G | A | 0.0000 | |
| 325 | P | A | 0.2980 | |
| 326 | P | A | 0.2110 | |
| 327 | M | A | 0.0000 | |
| 328 | A | A | 0.0000 | |
| 329 | T | A | 0.0000 | |
| 330 | A | A | -1.2038 | |
| 331 | G | A | -1.3283 | |
| 332 | P | A | -0.9964 | |
| 333 | A | A | -0.9630 | |
| 334 | D | A | -1.8584 | |
| 335 | S | A | -1.5540 | |
| 336 | K | A | -1.6230 | |
| 337 | F | A | -0.6572 | |
| 338 | S | A | 0.0000 | |
| 339 | N | A | -0.0962 | |
| 340 | S | A | 0.0000 | |
| 341 | Q | A | 0.0000 | |
| 342 | L | A | 0.8759 | |
| 343 | I | A | 1.4752 | |
| 344 | F | A | 0.9514 | |
| 345 | A | A | -0.2870 | |
| 346 | G | A | -0.6401 | |
| 347 | P | A | -1.3095 | |
| 348 | K | A | -1.9999 | |
| 349 | Q | A | -1.6792 | |
| 350 | N | A | -2.3257 | |
| 351 | G | A | -1.7533 | |
| 352 | N | A | -1.8325 | |
| 353 | T | A | -0.8647 | |
| 354 | A | A | -0.0966 | |
| 355 | T | A | 0.6960 | |
| 356 | V | A | 1.3706 | |
| 357 | P | A | 0.6706 | |
| 358 | G | A | -0.0970 | |
| 359 | T | A | -0.3446 | |
| 360 | L | A | 0.5509 | |
| 361 | I | A | 0.5495 | |
| 362 | F | A | 0.0000 | |
| 363 | T | A | 0.0000 | |
| 364 | S | A | -0.6695 | |
| 365 | E | A | 0.0000 | |
| 366 | E | A | -2.0029 | |
| 367 | E | A | -1.1539 | |
| 368 | L | A | 0.0000 | |
| 369 | A | A | -0.5906 | |
| 370 | A | A | -0.6477 | |
| 371 | T | A | 0.0000 | |
| 372 | N | A | 0.0000 | |
| 373 | A | A | -0.1793 | |
| 374 | T | A | -0.7658 | |
| 375 | D | A | 0.0000 | |
| 376 | T | A | -1.1219 | |
| 377 | D | A | -1.9662 | |
| 378 | M | A | -1.1850 | |
| 379 | W | A | -0.4941 | |
| 380 | G | A | -1.1247 | |
| 381 | N | A | -1.7564 | |
| 382 | L | A | -0.6441 | |
| 383 | P | A | -1.0914 | |
| 384 | G | A | -1.3270 | |
| 385 | G | A | -1.6903 | |
| 386 | D | A | -2.8133 | |
| 387 | Q | A | -2.7871 | |
| 388 | S | A | -2.1652 | |
| 389 | N | A | -2.0275 | |
| 390 | S | A | -1.4431 | |
| 391 | N | A | -2.0480 | |
| 392 | L | A | -0.5699 | |
| 393 | P | A | -0.8585 | |
| 394 | T | A | -0.3633 | |
| 395 | V | A | -0.0525 | |
| 396 | D | A | -2.2270 | |
| 397 | R | A | -2.7569 | |
| 398 | L | A | -1.2467 | |
| 399 | T | A | -0.9337 | |
| 400 | A | A | 0.1687 | |
| 401 | L | A | 0.3987 | |
| 402 | G | A | 0.0009 | |
| 403 | A | A | 0.4967 | |
| 404 | V | A | 0.6093 | |
| 405 | P | A | 0.1979 | |
| 406 | G | A | -0.0848 | |
| 407 | M | A | 0.6250 | |
| 408 | V | A | 1.0394 | |
| 409 | W | A | 0.6190 | |
| 410 | Q | A | 0.0000 | |
| 411 | N | A | -0.1953 | |
| 412 | R | A | 0.0000 | |
| 413 | D | A | 0.0000 | |
| 414 | I | A | 0.0000 | |
| 415 | Y | A | 0.0000 | |
| 416 | Y | A | 0.0000 | |
| 417 | Q | A | 0.0000 | |
| 418 | G | A | 0.0000 | |
| 419 | P | A | -0.4687 | |
| 420 | I | A | 0.0000 | |
| 421 | W | A | 0.0000 | |
| 422 | A | A | -0.4754 | |
| 423 | K | A | -1.1566 | |
| 424 | I | A | -1.2374 | |
| 425 | P | A | -1.4146 | |
| 426 | H | A | -1.9527 | |
| 427 | T | A | -1.7410 | |
| 428 | D | A | -2.4334 | |
| 429 | G | A | -1.4835 | |
| 430 | H | A | -0.7085 | |
| 431 | F | A | 1.1504 | |
| 432 | H | A | 0.0385 | |
| 433 | P | A | -0.2501 | |
| 434 | S | A | 0.0332 | |
| 435 | P | A | 0.2634 | |
| 436 | L | A | 0.9543 | |
| 437 | I | A | 0.7662 | |
| 438 | G | A | 0.0000 | |
| 439 | G | A | 0.0167 | |
| 440 | F | A | 0.0000 | |
| 441 | G | A | -0.7354 | |
| 442 | L | A | 0.0000 | |
| 443 | K | A | -2.4759 | |
| 444 | H | A | -1.9733 | |
| 445 | P | A | 0.0000 | |
| 446 | P | A | 0.0000 | |
| 447 | P | A | 0.0000 | |
| 448 | Q | A | 0.0000 | |
| 449 | I | A | 0.0000 | |
| 450 | F | A | 0.0000 | |
| 451 | I | A | 0.0000 | |
| 452 | K | A | 0.0000 | |
| 453 | N | A | 0.0000 | |
| 454 | T | A | 0.1712 | |
| 455 | P | A | -0.0883 | |
| 456 | V | A | 0.4271 | |
| 457 | P | A | 0.0546 | |
| 458 | A | A | -0.3217 | |
| 459 | N | A | -1.2635 | |
| 460 | P | A | -0.5504 | |
| 461 | A | A | 0.1084 | |
| 462 | T | A | 0.1314 | |
| 463 | T | A | 0.7658 | |
| 464 | F | A | 1.7110 | |
| 465 | S | A | 0.7097 | |
| 466 | S | A | 0.2164 | |
| 467 | T | A | 0.0713 | |
| 468 | P | A | -0.0190 | |
| 469 | V | A | 0.6018 | |
| 470 | N | A | -0.7587 | |
| 471 | S | A | -0.5220 | |
| 472 | F | A | 0.1296 | |
| 473 | I | A | 0.6008 | |
| 474 | T | A | 0.1464 | |
| 475 | Q | A | 0.0000 | |
| 476 | Y | A | 0.3157 | |
| 477 | S | A | 0.0000 | |
| 478 | T | A | 0.1138 | |
| 479 | G | A | 0.0000 | |
| 480 | Q | A | -0.4033 | |
| 481 | V | A | 0.0000 | |
| 482 | S | A | -0.9660 | |
| 483 | V | A | 0.0000 | |
| 484 | Q | A | -1.1134 | |
| 485 | I | A | 0.0000 | |
| 486 | D | A | -1.2047 | |
| 487 | W | A | 0.0000 | |
| 488 | E | A | -1.3354 | |
| 489 | I | A | 0.0000 | |
| 490 | Q | A | -1.7540 | |
| 491 | K | A | -2.1266 | |
| 492 | E | A | -2.0271 | |
| 493 | R | A | -2.8128 | |
| 494 | S | A | -2.1305 | |
| 495 | K | A | -2.3023 | |
| 496 | R | A | -1.6628 | |
| 497 | W | A | -0.0569 | |
| 498 | N | A | -0.5629 | |
| 499 | P | A | -0.2956 | |
| 500 | E | A | 0.1468 | |
| 501 | V | A | 1.2459 | |
| 502 | Q | A | 0.0116 | |
| 503 | F | A | 0.0000 | |
| 504 | T | A | -0.7065 | |
| 505 | S | A | -0.8941 | |
| 506 | N | A | -1.5421 | |
| 507 | Y | A | -0.8434 | |
| 508 | G | A | -1.3911 | |
| 509 | Q | A | -1.9904 | |
| 510 | Q | A | -1.6456 | |
| 511 | N | A | -1.7019 | |
| 512 | S | A | -0.5815 | |
| 513 | L | A | 0.7668 | |
| 514 | L | A | 0.5929 | |
| 515 | W | A | 0.2456 | |
| 516 | A | A | 0.0596 | |
| 517 | P | A | -0.9237 | |
| 518 | D | A | -1.4691 | |
| 519 | A | A | -0.7260 | |
| 520 | A | A | -0.9863 | |
| 521 | G | A | -1.5894 | |
| 522 | K | A | -2.3578 | |
| 523 | Y | A | -1.3619 | |
| 524 | T | A | -0.8436 | |
| 525 | E | A | -0.1965 | |
| 526 | P | A | -0.3603 | |
| 527 | R | A | -0.3282 | |
| 528 | A | A | 0.0159 | |
| 529 | I | A | 0.0000 | |
| 530 | G | A | -0.0354 | |
| 531 | T | A | 0.0000 | |
| 532 | R | A | 0.0000 | |
| 533 | Y | A | 0.4967 | |
| 534 | L | A | 0.0000 | |
| 535 | T | A | -0.2399 | |
| 536 | H | A | -1.2110 | |
| 537 | H | A | -1.0024 | |
| 538 | L | A | 0.1297 |
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 | -0.1141 | 4.7941 | View | CSV | PDB |
| 4.5 | -0.1504 | 4.7945 | View | CSV | PDB |
| 5.0 | -0.1936 | 4.7959 | View | CSV | PDB |
| 5.5 | -0.2352 | 4.7998 | View | CSV | PDB |
| 6.0 | -0.267 | 4.8103 | View | CSV | PDB |
| 6.5 | -0.2837 | 4.8332 | View | CSV | PDB |
| 7.0 | -0.287 | 4.8701 | View | CSV | PDB |
| 7.5 | -0.283 | 4.9161 | View | CSV | PDB |
| 8.0 | -0.2751 | 4.9661 | View | CSV | PDB |
| 8.5 | -0.2632 | 5.0175 | View | CSV | PDB |
| 9.0 | -0.2456 | 5.0691 | 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