| Chain sequence(s) |
A: DTHKSEIAHRFKDLGEEHFKGLVLIAFSQYLQQCPFDEHVKLVNELTEFAKTCVADESHAGCEKSLHTLFGDELCKVASLRETYGDMADCCEKQEPERNECFLSHKDDSPDLPKLKPDPNTLCDEFKADEKKFWGKYLYEIARRHPYFYAPELLYYANKYNGVFQECCQAEDKGACLLPKIETMREKVLTSSARQRLRCASIQKFGERALKAWSVARLSQKFPKAEFVEVTKLVTDLTKVHKECCHGDLLECADDRADLAKYICDNQDTISSKLKECCDKPLLEKSHCIAEVEKDAIPENLPPLTADFAEDKDVCKNYQEAKDAFLGSFLYEYSRRHPEYAVSVLLRLAKEYEATLEECCAKDDPHACYSTVFDKLKHLVDEPQNLIKQNCDQFEKLGEYGFQNALIVRYTRKVPQVSTPTLVEVSRSLGKVGTRCCTKPESERMPCTEDYLSLILNRLCVLHEKTPVSEKVTKCCTESLVNRRPCFSALTPDETYVPKAFDEKLFTFHADICTLPDTEKQIKKQTALVELLKHKPKATEEQLKTVMENFVAFVDKCCAADDKEACFAVEGPKLVVSTQTALA
input PDB |
| Selected Chain(s) | A |
| Distance of aggregation | 10 Å |
| FoldX usage | Yes |
| pH calculations | Yes |
| alphaCutter usage | No |
| 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 globular. Max 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 (00:16:01)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/5d0376a1be8865e/tmp/folded.pdb (00:16:01)
[INFO] Main: Simulation completed successfully. (00:19:42)
|
The table below lists A4D score for protein residues. Residues with A4D score > 0.0000 are marked by yellow rows.
| residue index | residue name | chain | Aggrescan4D score | mutation |
|---|---|---|---|---|
| 1 | D | A | -2.2666 | |
| 2 | T | A | -1.9796 | |
| 3 | H | A | -2.6626 | |
| 4 | K | A | -3.6168 | |
| 5 | S | A | 0.0000 | |
| 6 | E | A | -2.2411 | |
| 7 | I | A | 0.0000 | |
| 8 | A | A | 0.0000 | |
| 9 | H | A | -2.2568 | |
| 10 | R | A | -1.9912 | |
| 11 | F | A | -2.4700 | |
| 12 | K | A | -3.1490 | |
| 13 | D | A | -3.1031 | |
| 14 | L | A | -2.2757 | |
| 15 | G | A | -2.5351 | |
| 16 | E | A | -3.5035 | |
| 17 | E | A | -2.8156 | |
| 18 | H | A | -1.9945 | |
| 19 | F | A | 0.0000 | |
| 20 | K | A | -1.8715 | |
| 21 | G | A | 0.0000 | |
| 22 | L | A | 0.0000 | |
| 23 | V | A | 0.0000 | |
| 24 | L | A | 0.0000 | |
| 25 | I | A | 0.0000 | |
| 26 | A | A | 0.0000 | |
| 27 | F | A | 0.0000 | |
| 28 | S | A | 0.0000 | |
| 29 | Q | A | 0.0000 | |
| 30 | Y | A | -0.1990 | |
| 31 | L | A | 0.0000 | |
| 32 | Q | A | 0.0000 | |
| 33 | Q | A | -1.4333 | |
| 34 | C | A | 0.0000 | |
| 35 | P | A | -1.0587 | |
| 36 | F | A | -1.3600 | |
| 37 | D | A | -2.3115 | |
| 38 | E | A | -1.7276 | |
| 39 | H | A | 0.0000 | |
| 40 | V | A | -1.7898 | |
| 41 | K | A | -2.3931 | |
| 42 | L | A | 0.0000 | |
| 43 | V | A | 0.0000 | |
| 44 | N | A | -2.4362 | |
| 45 | E | A | -3.0206 | |
| 46 | L | A | 0.0000 | |
| 47 | T | A | 0.0000 | |
| 48 | E | A | -3.0061 | |
| 49 | F | A | -1.6395 | |
| 50 | A | A | 0.0000 | |
| 51 | K | A | -2.7115 | |
| 52 | T | A | -1.8210 | |
| 53 | C | A | 0.0000 | |
| 54 | V | A | -1.3371 | |
| 55 | A | A | -1.2437 | |
| 56 | D | A | -2.4847 | |
| 57 | E | A | -3.5088 | |
| 58 | S | A | -2.4216 | |
| 59 | H | A | -2.2036 | |
| 60 | A | A | -1.4075 | |
| 61 | G | A | -1.4495 | |
| 62 | C | A | 0.0000 | |
| 63 | E | A | -3.4774 | |
| 64 | K | A | -2.1974 | |
| 65 | S | A | -1.2957 | |
| 66 | L | A | 0.0000 | |
| 67 | H | A | -0.6421 | |
| 68 | T | A | -0.8495 | |
| 69 | L | A | 0.0000 | |
| 70 | F | A | -0.2430 | |
| 71 | G | A | 0.0000 | |
| 72 | D | A | -0.9729 | |
| 73 | E | A | -1.4210 | |
| 74 | L | A | 0.0000 | |
| 75 | C | A | -1.5314 | |
| 76 | K | A | -1.8771 | |
| 77 | V | A | 0.0000 | |
| 78 | A | A | -0.9766 | |
| 79 | S | A | -1.4229 | |
| 80 | L | A | 0.0000 | |
| 81 | R | A | -3.4927 | |
| 82 | E | A | -3.0087 | |
| 83 | T | A | -1.9596 | |
| 84 | Y | A | -1.8022 | |
| 85 | G | A | -2.6601 | |
| 86 | D | A | -3.0497 | |
| 87 | M | A | 0.0000 | |
| 88 | A | A | -2.8633 | |
| 89 | D | A | -3.4084 | |
| 90 | C | A | 0.0000 | |
| 91 | C | A | -2.5022 | |
| 92 | E | A | -3.3293 | |
| 93 | K | A | -3.6605 | |
| 94 | Q | A | -2.8074 | |
| 95 | E | A | -2.1474 | |
| 96 | P | A | -2.1068 | |
| 97 | E | A | -3.0423 | |
| 98 | R | A | 0.0000 | |
| 99 | N | A | 0.0000 | |
| 100 | E | A | -2.5624 | |
| 101 | C | A | -1.8403 | |
| 102 | F | A | 0.0000 | |
| 103 | L | A | -0.7175 | |
| 104 | S | A | -0.8464 | |
| 105 | H | A | -1.0458 | |
| 106 | K | A | 0.0000 | |
| 107 | D | A | -1.8734 | |
| 108 | D | A | 0.0000 | |
| 109 | S | A | -1.2436 | |
| 110 | P | A | -1.6081 | |
| 111 | D | A | -2.2772 | |
| 112 | L | A | -1.2465 | |
| 113 | P | A | -1.3033 | |
| 114 | K | A | -1.8898 | |
| 115 | L | A | -0.8275 | |
| 116 | K | A | -2.0947 | |
| 117 | P | A | -1.5844 | |
| 118 | D | A | -2.3484 | |
| 119 | P | A | -2.2637 | |
| 120 | N | A | -2.5933 | |
| 121 | T | A | -2.1400 | |
| 122 | L | A | -2.2543 | |
| 123 | C | A | 0.0000 | |
| 124 | D | A | -3.7644 | |
| 125 | E | A | -3.9183 | |
| 126 | F | A | 0.0000 | |
| 127 | K | A | -3.7032 | |
| 128 | A | A | -2.9674 | |
| 129 | D | A | -3.7246 | |
| 130 | E | A | -3.6987 | |
| 131 | K | A | -3.6054 | |
| 132 | K | A | -3.1612 | |
| 133 | F | A | 0.0000 | |
| 134 | W | A | 0.0000 | |
| 135 | G | A | 0.0000 | |
| 136 | K | A | -1.6619 | |
| 137 | Y | A | -0.7050 | |
| 138 | L | A | 0.0000 | |
| 139 | Y | A | 0.0000 | |
| 140 | E | A | -0.3882 | |
| 141 | I | A | 0.0000 | |
| 142 | A | A | 0.0000 | |
| 143 | R | A | -0.7352 | |
| 144 | R | A | -1.1258 | |
| 145 | H | A | -0.4996 | |
| 146 | P | A | 0.0000 | |
| 147 | Y | A | -0.1026 | |
| 148 | F | A | 0.0000 | |
| 149 | Y | A | 0.0000 | |
| 150 | A | A | 0.0000 | |
| 151 | P | A | 0.0000 | |
| 152 | E | A | 0.0000 | |
| 153 | L | A | 0.0000 | |
| 154 | L | A | 0.0000 | |
| 155 | Y | A | 0.0000 | |
| 156 | Y | A | 0.0000 | |
| 157 | A | A | 0.0000 | |
| 158 | N | A | -1.5509 | |
| 159 | K | A | -1.8018 | |
| 160 | Y | A | 0.0000 | |
| 161 | N | A | 0.0000 | |
| 162 | G | A | -1.6858 | |
| 163 | V | A | 0.0000 | |
| 164 | F | A | 0.0000 | |
| 165 | Q | A | -2.7658 | |
| 166 | E | A | -2.6911 | |
| 167 | C | A | -2.2749 | |
| 168 | C | A | 0.0000 | |
| 169 | Q | A | -2.5720 | |
| 170 | A | A | -2.4113 | |
| 171 | E | A | -3.0680 | |
| 172 | D | A | -3.0598 | |
| 173 | K | A | -2.4344 | |
| 174 | G | A | -1.4882 | |
| 175 | A | A | -0.9448 | |
| 176 | C | A | -1.1718 | |
| 177 | L | A | 0.0000 | |
| 178 | L | A | -0.8402 | |
| 179 | P | A | -1.3808 | |
| 180 | K | A | -2.0436 | |
| 181 | I | A | -2.1170 | |
| 182 | E | A | -3.1543 | |
| 183 | T | A | -2.5537 | |
| 184 | M | A | 0.0000 | |
| 185 | R | A | -2.8651 | |
| 186 | E | A | -3.1468 | |
| 187 | K | A | -2.7011 | |
| 188 | V | A | 0.0000 | |
| 189 | L | A | -0.5210 | |
| 190 | T | A | -0.9131 | |
| 191 | S | A | -0.8056 | |
| 192 | S | A | 0.0000 | |
| 193 | A | A | -0.4338 | |
| 194 | R | A | -0.7194 | |
| 195 | Q | A | 0.0000 | |
| 196 | R | A | -0.4970 | |
| 197 | L | A | -0.3909 | |
| 198 | R | A | -0.6970 | |
| 199 | C | A | 0.0000 | |
| 200 | A | A | 0.0000 | |
| 201 | S | A | 0.0000 | |
| 202 | I | A | -1.5677 | |
| 203 | Q | A | -1.7426 | |
| 204 | K | A | -1.3680 | |
| 205 | F | A | -1.0184 | |
| 206 | G | A | -1.6414 | |
| 207 | E | A | -2.6033 | |
| 208 | R | A | -2.7997 | |
| 209 | A | A | -1.5419 | |
| 210 | L | A | 0.0000 | |
| 211 | K | A | -2.1292 | |
| 212 | A | A | -1.2922 | |
| 213 | W | A | -0.6446 | |
| 214 | S | A | 0.0000 | |
| 215 | V | A | 0.0000 | |
| 216 | A | A | 0.0000 | |
| 217 | R | A | -0.6044 | |
| 218 | L | A | 0.0000 | |
| 219 | S | A | 0.0000 | |
| 220 | Q | A | 0.0000 | |
| 221 | K | A | 0.0000 | |
| 222 | F | A | 0.0000 | |
| 223 | P | A | 0.0000 | |
| 224 | K | A | -1.8207 | |
| 225 | A | A | 0.0000 | |
| 226 | E | A | -1.6521 | |
| 227 | F | A | -0.2500 | |
| 228 | V | A | 0.8902 | |
| 229 | E | A | -0.5068 | |
| 230 | V | A | 0.0000 | |
| 231 | T | A | -0.4807 | |
| 232 | K | A | -1.0866 | |
| 233 | L | A | 0.0000 | |
| 234 | V | A | 0.0000 | |
| 235 | T | A | -1.2521 | |
| 236 | D | A | -1.7047 | |
| 237 | L | A | -0.9966 | |
| 238 | T | A | 0.0000 | |
| 239 | K | A | -1.7255 | |
| 240 | V | A | 0.0000 | |
| 241 | H | A | 0.0000 | |
| 242 | K | A | -1.6042 | |
| 243 | E | A | -1.2542 | |
| 244 | C | A | 0.0000 | |
| 245 | C | A | -0.7044 | |
| 246 | H | A | -1.0823 | |
| 247 | G | A | -0.6791 | |
| 248 | D | A | -0.7126 | |
| 249 | L | A | 0.0000 | |
| 250 | L | A | 0.0000 | |
| 251 | E | A | -1.1278 | |
| 252 | C | A | 0.0000 | |
| 253 | A | A | 0.0000 | |
| 254 | D | A | -1.5498 | |
| 255 | D | A | -1.8409 | |
| 256 | R | A | 0.0000 | |
| 257 | A | A | -1.5582 | |
| 258 | D | A | -2.6170 | |
| 259 | L | A | 0.0000 | |
| 260 | A | A | 0.0000 | |
| 261 | K | A | -2.5186 | |
| 262 | Y | A | -1.6322 | |
| 263 | I | A | 0.0000 | |
| 264 | C | A | -2.3953 | |
| 265 | D | A | -2.5542 | |
| 266 | N | A | -2.0720 | |
| 267 | Q | A | -2.2070 | |
| 268 | D | A | -2.7356 | |
| 269 | T | A | -1.9388 | |
| 270 | I | A | 0.0000 | |
| 271 | S | A | 0.0000 | |
| 272 | S | A | -2.0316 | |
| 273 | K | A | -2.5183 | |
| 274 | L | A | 0.0000 | |
| 275 | K | A | -3.5810 | |
| 276 | E | A | -3.5965 | |
| 277 | C | A | 0.0000 | |
| 278 | C | A | -3.0535 | |
| 279 | D | A | -3.5100 | |
| 280 | K | A | -3.1963 | |
| 281 | P | A | -1.3110 | |
| 282 | L | A | -0.4534 | |
| 283 | L | A | 0.0000 | |
| 284 | E | A | -1.4973 | |
| 285 | K | A | -1.9224 | |
| 286 | S | A | 0.0000 | |
| 287 | H | A | -0.8800 | |
| 288 | C | A | -1.5978 | |
| 289 | I | A | 0.0000 | |
| 290 | A | A | -1.2111 | |
| 291 | E | A | -2.3493 | |
| 292 | V | A | 0.0000 | |
| 293 | E | A | -3.0246 | |
| 294 | K | A | -2.4709 | |
| 295 | D | A | 0.0000 | |
| 296 | A | A | -0.5780 | |
| 297 | I | A | -0.2625 | |
| 298 | P | A | -1.1146 | |
| 299 | E | A | -2.1503 | |
| 300 | N | A | -1.9930 | |
| 301 | L | A | -0.9514 | |
| 302 | P | A | -0.9802 | |
| 303 | P | A | -0.7089 | |
| 304 | L | A | -0.6676 | |
| 305 | T | A | -1.0873 | |
| 306 | A | A | -1.6035 | |
| 307 | D | A | -2.9342 | |
| 308 | F | A | 0.0000 | |
| 309 | A | A | 0.0000 | |
| 310 | E | A | -3.2432 | |
| 311 | D | A | -3.6008 | |
| 312 | K | A | -3.6393 | |
| 313 | D | A | -3.4376 | |
| 314 | V | A | 0.0000 | |
| 315 | C | A | -2.5829 | |
| 316 | K | A | -3.5743 | |
| 317 | N | A | -3.3235 | |
| 318 | Y | A | 0.0000 | |
| 319 | Q | A | -3.5084 | |
| 320 | E | A | -3.4466 | |
| 321 | A | A | -2.5079 | |
| 322 | K | A | -3.1398 | |
| 323 | D | A | -2.6887 | |
| 324 | A | A | -1.3815 | |
| 325 | F | A | -1.2332 | |
| 326 | L | A | -1.0122 | |
| 327 | G | A | -0.8295 | |
| 328 | S | A | -0.3015 | |
| 329 | F | A | 0.0000 | |
| 330 | L | A | 0.0000 | |
| 331 | Y | A | 0.0000 | |
| 332 | E | A | -0.7299 | |
| 333 | Y | A | 0.0000 | |
| 334 | S | A | 0.0000 | |
| 335 | R | A | 0.0000 | |
| 336 | R | A | -0.3585 | |
| 337 | H | A | -0.7390 | |
| 338 | P | A | -1.1599 | |
| 339 | E | A | -2.0884 | |
| 340 | Y | A | -0.9370 | |
| 341 | A | A | 0.0000 | |
| 342 | V | A | -0.0366 | |
| 343 | S | A | 0.0474 | |
| 344 | V | A | 0.0000 | |
| 345 | L | A | 0.0000 | |
| 346 | L | A | -0.2809 | |
| 347 | R | A | 0.0000 | |
| 348 | L | A | 0.0000 | |
| 349 | A | A | -0.9160 | |
| 350 | K | A | -1.8626 | |
| 351 | E | A | -1.5669 | |
| 352 | Y | A | 0.0000 | |
| 353 | E | A | -2.1245 | |
| 354 | A | A | -1.8128 | |
| 355 | T | A | 0.0000 | |
| 356 | L | A | 0.0000 | |
| 357 | E | A | -3.2043 | |
| 358 | E | A | -3.0532 | |
| 359 | C | A | 0.0000 | |
| 360 | C | A | -2.4834 | |
| 361 | A | A | -2.3958 | |
| 362 | K | A | -3.6514 | |
| 363 | D | A | -3.4676 | |
| 364 | D | A | -3.2003 | |
| 365 | P | A | -2.5746 | |
| 366 | H | A | -2.1685 | |
| 367 | A | A | -1.1757 | |
| 368 | C | A | -1.0142 | |
| 369 | Y | A | 0.0000 | |
| 370 | S | A | -1.0975 | |
| 371 | T | A | -1.0525 | |
| 372 | V | A | 0.0000 | |
| 373 | F | A | -1.7767 | |
| 374 | D | A | -3.3005 | |
| 375 | K | A | -3.2228 | |
| 376 | L | A | 0.0000 | |
| 377 | K | A | -3.3986 | |
| 378 | H | A | -3.3710 | |
| 379 | L | A | -2.3016 | |
| 380 | V | A | -2.0065 | |
| 381 | D | A | -3.4976 | |
| 382 | E | A | -3.3809 | |
| 383 | P | A | 0.0000 | |
| 384 | Q | A | -3.1438 | |
| 385 | N | A | -3.1062 | |
| 386 | L | A | -1.9717 | |
| 387 | I | A | 0.0000 | |
| 388 | K | A | -3.6738 | |
| 389 | Q | A | -3.1697 | |
| 390 | N | A | -2.6244 | |
| 391 | C | A | 0.0000 | |
| 392 | D | A | -3.9572 | |
| 393 | Q | A | -3.0830 | |
| 394 | F | A | 0.0000 | |
| 395 | E | A | -3.5383 | |
| 396 | K | A | -3.1821 | |
| 397 | L | A | -1.3683 | |
| 398 | G | A | -1.7895 | |
| 399 | E | A | -2.1233 | |
| 400 | Y | A | -0.3327 | |
| 401 | G | A | -0.5977 | |
| 402 | F | A | 0.0000 | |
| 403 | Q | A | -0.9260 | |
| 404 | N | A | -0.4275 | |
| 405 | A | A | -0.5962 | |
| 406 | L | A | 0.0000 | |
| 407 | I | A | 0.0000 | |
| 408 | V | A | 0.0000 | |
| 409 | R | A | -0.8993 | |
| 410 | Y | A | 0.0000 | |
| 411 | T | A | 0.0000 | |
| 412 | R | A | -1.2796 | |
| 413 | K | A | 0.0000 | |
| 414 | V | A | 0.0000 | |
| 415 | P | A | 0.0000 | |
| 416 | Q | A | -1.3069 | |
| 417 | V | A | 0.0000 | |
| 418 | S | A | -0.5060 | |
| 419 | T | A | 0.0000 | |
| 420 | P | A | -0.7039 | |
| 421 | T | A | -0.9181 | |
| 422 | L | A | 0.0000 | |
| 423 | V | A | 0.0000 | |
| 424 | E | A | -2.0321 | |
| 425 | V | A | 0.0000 | |
| 426 | S | A | 0.0000 | |
| 427 | R | A | -1.3584 | |
| 428 | S | A | -1.1615 | |
| 429 | L | A | 0.0000 | |
| 430 | G | A | 0.0000 | |
| 431 | K | A | -1.7280 | |
| 432 | V | A | 0.0000 | |
| 433 | G | A | 0.0000 | |
| 434 | T | A | -1.3430 | |
| 435 | R | A | -0.9303 | |
| 436 | C | A | 0.0000 | |
| 437 | C | A | 0.0000 | |
| 438 | T | A | -1.2269 | |
| 439 | K | A | -1.7495 | |
| 440 | P | A | -2.0382 | |
| 441 | E | A | -2.9752 | |
| 442 | S | A | -2.3779 | |
| 443 | E | A | -2.7659 | |
| 444 | R | A | -2.3189 | |
| 445 | M | A | 0.0000 | |
| 446 | P | A | -0.9959 | |
| 447 | C | A | -0.6427 | |
| 448 | T | A | 0.0000 | |
| 449 | E | A | 0.0000 | |
| 450 | D | A | -0.2109 | |
| 451 | Y | A | -0.1848 | |
| 452 | L | A | 0.0355 | |
| 453 | S | A | -0.2105 | |
| 454 | L | A | 0.0000 | |
| 455 | I | A | 0.0000 | |
| 456 | L | A | 0.0000 | |
| 457 | N | A | 0.0000 | |
| 458 | R | A | -1.1272 | |
| 459 | L | A | 0.0000 | |
| 460 | C | A | 0.0000 | |
| 461 | V | A | 0.0000 | |
| 462 | L | A | -1.0366 | |
| 463 | H | A | 0.0000 | |
| 464 | E | A | -1.8737 | |
| 465 | K | A | -2.1584 | |
| 466 | T | A | -1.0701 | |
| 467 | P | A | -1.1825 | |
| 468 | V | A | -0.6303 | |
| 469 | S | A | 0.0000 | |
| 470 | E | A | -2.2827 | |
| 471 | K | A | -1.5454 | |
| 472 | V | A | 0.0000 | |
| 473 | T | A | -1.7521 | |
| 474 | K | A | -2.2069 | |
| 475 | C | A | 0.0000 | |
| 476 | C | A | 0.0000 | |
| 477 | T | A | -1.4820 | |
| 478 | E | A | -2.1900 | |
| 479 | S | A | -1.3146 | |
| 480 | L | A | -0.3146 | |
| 481 | V | A | -0.4855 | |
| 482 | N | A | -1.0731 | |
| 483 | R | A | 0.0000 | |
| 484 | R | A | 0.0000 | |
| 485 | P | A | -0.3755 | |
| 486 | C | A | -0.4525 | |
| 487 | F | A | 0.0000 | |
| 488 | S | A | 0.0405 | |
| 489 | A | A | 0.1093 | |
| 490 | L | A | -0.0309 | |
| 491 | T | A | -0.6124 | |
| 492 | P | A | -1.2644 | |
| 493 | D | A | -1.3713 | |
| 494 | E | A | -2.0416 | |
| 495 | T | A | -0.6812 | |
| 496 | Y | A | -0.0958 | |
| 497 | V | A | 1.0670 | |
| 498 | P | A | -0.1821 | |
| 499 | K | A | -0.4848 | |
| 500 | A | A | -0.0972 | |
| 501 | F | A | -0.2713 | |
| 502 | D | A | -1.3931 | |
| 503 | E | A | -2.4499 | |
| 504 | K | A | -2.3787 | |
| 505 | L | A | -0.9851 | |
| 506 | F | A | -0.6664 | |
| 507 | T | A | -0.9900 | |
| 508 | F | A | -1.0921 | |
| 509 | H | A | -1.9218 | |
| 510 | A | A | -2.0091 | |
| 511 | D | A | -2.3031 | |
| 512 | I | A | 0.0000 | |
| 513 | C | A | -1.0785 | |
| 514 | T | A | -1.0929 | |
| 515 | L | A | -1.2909 | |
| 516 | P | A | -1.5829 | |
| 517 | D | A | -2.4171 | |
| 518 | T | A | -1.6750 | |
| 519 | E | A | -2.1073 | |
| 520 | K | A | -2.2123 | |
| 521 | Q | A | -1.4031 | |
| 522 | I | A | -1.2572 | |
| 523 | K | A | -1.4861 | |
| 524 | K | A | -0.7232 | |
| 525 | Q | A | 0.0000 | |
| 526 | T | A | -0.4899 | |
| 527 | A | A | -0.1379 | |
| 528 | L | A | 0.0000 | |
| 529 | V | A | 0.0000 | |
| 530 | E | A | 0.0000 | |
| 531 | L | A | 0.0000 | |
| 532 | L | A | 0.0000 | |
| 533 | K | A | 0.0000 | |
| 534 | H | A | -0.4813 | |
| 535 | K | A | -1.0422 | |
| 536 | P | A | -1.3120 | |
| 537 | K | A | -2.3395 | |
| 538 | A | A | 0.0000 | |
| 539 | T | A | -2.3343 | |
| 540 | E | A | -3.4445 | |
| 541 | E | A | -3.4585 | |
| 542 | Q | A | -2.3365 | |
| 543 | L | A | 0.0000 | |
| 544 | K | A | -3.4594 | |
| 545 | T | A | -2.4204 | |
| 546 | V | A | 0.0000 | |
| 547 | M | A | -1.0159 | |
| 548 | E | A | -1.8749 | |
| 549 | N | A | -1.3027 | |
| 550 | F | A | -0.3482 | |
| 551 | V | A | 0.4550 | |
| 552 | A | A | -0.6006 | |
| 553 | F | A | 0.0000 | |
| 554 | V | A | -0.5165 | |
| 555 | D | A | -1.5249 | |
| 556 | K | A | -1.5349 | |
| 557 | C | A | 0.0000 | |
| 558 | C | A | -1.6274 | |
| 559 | A | A | -1.2219 | |
| 560 | A | A | -1.9777 | |
| 561 | D | A | -2.7280 | |
| 562 | D | A | -2.9417 | |
| 563 | K | A | -2.7065 | |
| 564 | E | A | -2.7595 | |
| 565 | A | A | -1.3366 | |
| 566 | C | A | -1.1310 | |
| 567 | F | A | 0.0000 | |
| 568 | A | A | -0.1714 | |
| 569 | V | A | 0.7822 | |
| 570 | E | A | -0.2906 | |
| 571 | G | A | -0.0127 | |
| 572 | P | A | -0.3334 | |
| 573 | K | A | -0.8745 | |
| 574 | L | A | -0.0958 | |
| 575 | V | A | 0.3488 | |
| 576 | V | A | 1.1771 | |
| 577 | S | A | 0.1590 | |
| 578 | T | A | 0.0841 | |
| 579 | Q | A | 0.3742 | |
| 580 | T | A | 0.2743 | |
| 581 | A | A | 0.0715 | |
| 582 | L | A | 0.0000 | |
| 583 | A | A | -0.1505 |
Calculations for various pH values
This page contains details and comparisons for all models calculated at different pH points.
Please find suggestions on interpreting the results below. More details can be found in the Tutorial.
The input structure is globular. Max score is recommended for pH analysis.
pH |
Average A4D Score |
Max A4D Score |
|||
| 4.0 | -0.8821 | 2.7527 | View | CSV | PDB |
| 4.5 | -0.9975 | 2.6927 | View | CSV | PDB |
| 5.0 | -1.1409 | 2.6245 | View | CSV | PDB |
| 5.5 | -1.2848 | 2.5532 | View | CSV | PDB |
| 6.0 | -1.4008 | 2.4818 | View | CSV | PDB |
| 6.5 | -1.4695 | 2.4121 | View | CSV | PDB |
| 7.0 | -1.4893 | 2.3453 | View | CSV | PDB |
| 7.5 | -1.474 | 2.2817 | View | CSV | PDB |
| 8.0 | -1.4386 | 2.2224 | View | CSV | PDB |
| 8.5 | -1.3887 | 2.1718 | View | CSV | PDB |
| 9.0 | -1.3227 | 2.1366 | 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