| Chain sequence(s) |
A: HMPWASKLMEIVMTQSPSTLSASVGDRVIITCQASEIIHSWLAWYQQKPGKAPKLLIYLASTLASGVPSRFSGSGSGAEFTLTISSLQPDDFATYYCQNVYLASTNGANFGQGTKLTVLGGGGGSTSGGTGGGGSGGGGSEVQLVESGGGLVQPGGSLRLSCTASGFSLTDYYYMTWVRQAPGKGLEWVGFIDPDDDPYYATWAKGRFTISRDNSKNTLYLQMNSLRAEDTAVYYCAGGDHNSGWGLDIWGQGTLVTVSSGGGGSGTGGGSGGGGSQVQLVQSGAEVKKPGASVKVSCKASGYTFTGYYMHWVRQAPGQGLEWMGWINPNSGGTNYAQKFQGRVTMTRDTSISTAYMELSRLRSDDTAVYYCARSPNPYYYDSSGYYYPGAFDIWGQGTMVTVSSGGGGSGGGGSGGGGSGGGGSSYVLTQPPSVSVAPGQTARITCGGNNIGSKSVHWYQQKPGQAPVLVVYDDSDRPSGIPERFSGSNSGNTATLTISRVEAGDEADYYCQVWDSSSDHWVFGGGTKLTVLELEFHHHHHHLE
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] (00:00:09)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:09)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with A chain(s) selected (00:00:09)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:09)
[INFO] PDB-Info: The input structure is globular. Max score is recommended for pH analysis. (00:00:12)
[INFO] FoldX: Starting FoldX energy minimization (00:00:12)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:07:20)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/26d66f95d5a3957/tmp/folded.pdb (00:07:20)
[INFO] Main: Simulation completed successfully. (00:11:27)
|
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 | H | A | -0.4040 | |
| 2 | M | A | 0.7755 | |
| 3 | P | A | 0.5338 | |
| 4 | W | A | 0.8634 | |
| 5 | A | A | 0.3354 | |
| 6 | S | A | 0.0389 | |
| 7 | K | A | -0.7815 | |
| 8 | L | A | 0.5295 | |
| 9 | M | A | 0.2036 | |
| 10 | E | A | -1.1963 | |
| 11 | I | A | 0.0000 | |
| 12 | V | A | 0.8903 | |
| 13 | M | A | 0.0000 | |
| 14 | T | A | -0.3903 | |
| 15 | Q | A | 0.0000 | |
| 16 | S | A | -0.3162 | |
| 17 | P | A | -0.1801 | |
| 18 | S | A | -0.6322 | |
| 19 | T | A | -0.4366 | |
| 20 | L | A | 0.0357 | |
| 21 | S | A | 0.1866 | |
| 22 | A | A | 0.0000 | |
| 23 | S | A | -0.1728 | |
| 24 | V | A | -0.3576 | |
| 25 | G | A | -1.1682 | |
| 26 | D | A | -1.7026 | |
| 27 | R | A | -2.1199 | |
| 28 | V | A | 0.0000 | |
| 29 | I | A | 0.7542 | |
| 30 | I | A | 0.0000 | |
| 31 | T | A | -0.4241 | |
| 32 | C | A | 0.0000 | |
| 33 | Q | A | -1.4381 | |
| 34 | A | A | -0.6123 | |
| 35 | S | A | -0.4399 | |
| 36 | E | A | -0.7927 | |
| 37 | I | A | 0.5689 | |
| 38 | I | A | 0.0000 | |
| 39 | H | A | -0.7581 | |
| 40 | S | A | -0.2847 | |
| 41 | W | A | 0.5602 | |
| 42 | L | A | 0.0000 | |
| 43 | A | A | 0.0000 | |
| 44 | W | A | 0.0000 | |
| 45 | Y | A | 0.0000 | |
| 46 | Q | A | 0.0000 | |
| 47 | Q | A | 0.0000 | |
| 48 | K | A | -1.6953 | |
| 49 | P | A | -1.1946 | |
| 50 | G | A | -1.7424 | |
| 51 | K | A | -2.6507 | |
| 52 | A | A | -1.7398 | |
| 53 | P | A | 0.0000 | |
| 54 | K | A | -1.8232 | |
| 55 | L | A | 0.0000 | |
| 56 | L | A | 0.0000 | |
| 57 | I | A | 0.0000 | |
| 58 | Y | A | 0.4465 | |
| 59 | L | A | 0.6023 | |
| 60 | A | A | 0.0000 | |
| 61 | S | A | -0.0405 | |
| 62 | T | A | 0.2583 | |
| 63 | L | A | 0.4087 | |
| 64 | A | A | 0.0000 | |
| 65 | S | A | -0.2686 | |
| 66 | G | A | -0.4486 | |
| 67 | V | A | -0.2815 | |
| 68 | P | A | -0.3317 | |
| 69 | S | A | -0.4344 | |
| 70 | R | A | -0.8809 | |
| 71 | F | A | 0.0000 | |
| 72 | S | A | -0.1404 | |
| 73 | G | A | 0.0000 | |
| 74 | S | A | -0.6807 | |
| 75 | G | A | -1.2050 | |
| 76 | S | A | -0.8727 | |
| 77 | G | A | -0.7268 | |
| 78 | A | A | -1.1351 | |
| 79 | E | A | -2.3832 | |
| 80 | F | A | 0.0000 | |
| 81 | T | A | -0.4612 | |
| 82 | L | A | 0.0000 | |
| 83 | T | A | -0.0703 | |
| 84 | I | A | 0.0000 | |
| 85 | S | A | -1.1740 | |
| 86 | S | A | -1.3174 | |
| 87 | L | A | 0.0000 | |
| 88 | Q | A | -1.1180 | |
| 89 | P | A | -1.0392 | |
| 90 | D | A | -1.8244 | |
| 91 | D | A | 0.0000 | |
| 92 | F | A | -0.0463 | |
| 93 | A | A | 0.0000 | |
| 94 | T | A | -0.4759 | |
| 95 | Y | A | 0.0000 | |
| 96 | Y | A | 0.0000 | |
| 97 | C | A | 0.0000 | |
| 98 | Q | A | 0.0000 | |
| 99 | N | A | 0.0000 | |
| 100 | V | A | 0.0000 | |
| 101 | Y | A | 0.3758 | |
| 102 | L | A | 0.1577 | |
| 103 | A | A | -0.0747 | |
| 104 | S | A | -0.2027 | |
| 105 | T | A | -0.4606 | |
| 106 | N | A | -0.8557 | |
| 107 | G | A | 0.0000 | |
| 108 | A | A | 0.0000 | |
| 109 | N | A | -0.2134 | |
| 110 | F | A | 0.0647 | |
| 111 | G | A | 0.0000 | |
| 112 | Q | A | -1.1648 | |
| 113 | G | A | 0.0000 | |
| 114 | T | A | 0.0000 | |
| 115 | K | A | -0.8267 | |
| 116 | L | A | 0.0000 | |
| 117 | T | A | 0.4090 | |
| 118 | V | A | 0.2924 | |
| 119 | L | A | 0.8676 | |
| 120 | G | A | -0.2682 | |
| 121 | G | A | -1.0154 | |
| 122 | G | A | -1.0589 | |
| 123 | G | A | -1.1861 | |
| 124 | G | A | -1.0524 | |
| 125 | S | A | -0.7935 | |
| 126 | T | A | -0.6943 | |
| 127 | S | A | -0.7485 | |
| 128 | G | A | -0.9395 | |
| 129 | G | A | -1.0111 | |
| 130 | T | A | -0.8745 | |
| 131 | G | A | -1.1074 | |
| 132 | G | A | -1.1781 | |
| 133 | G | A | -1.1847 | |
| 134 | G | A | -1.2168 | |
| 135 | S | A | -1.0838 | |
| 136 | G | A | -1.2134 | |
| 137 | G | A | -1.2293 | |
| 138 | G | A | -1.4287 | |
| 139 | G | A | -1.4646 | |
| 140 | S | A | -1.4284 | |
| 141 | E | A | -1.9104 | |
| 142 | V | A | -0.3481 | |
| 143 | Q | A | -0.5983 | |
| 144 | L | A | 0.0000 | |
| 145 | V | A | 0.3334 | |
| 146 | E | A | 0.0000 | |
| 147 | S | A | -0.3094 | |
| 148 | G | A | -0.8040 | |
| 149 | G | A | 0.1061 | |
| 150 | G | A | 0.6689 | |
| 151 | L | A | 1.3315 | |
| 152 | V | A | -0.1387 | |
| 153 | Q | A | -1.4503 | |
| 154 | P | A | -1.7588 | |
| 155 | G | A | -1.5336 | |
| 156 | G | A | -1.0281 | |
| 157 | S | A | -1.4211 | |
| 158 | L | A | -1.0054 | |
| 159 | R | A | -2.1406 | |
| 160 | L | A | 0.0000 | |
| 161 | S | A | -0.5718 | |
| 162 | C | A | 0.0000 | |
| 163 | T | A | -0.3195 | |
| 164 | A | A | 0.0000 | |
| 165 | S | A | -0.4513 | |
| 166 | G | A | -0.7363 | |
| 167 | F | A | -0.2966 | |
| 168 | S | A | -0.4823 | |
| 169 | L | A | 0.0000 | |
| 170 | T | A | -0.6899 | |
| 171 | D | A | -0.3721 | |
| 172 | Y | A | 0.1118 | |
| 173 | Y | A | 0.0004 | |
| 174 | Y | A | 0.0000 | |
| 175 | M | A | 0.0000 | |
| 176 | T | A | 0.0000 | |
| 177 | W | A | 0.0000 | |
| 178 | V | A | 0.0000 | |
| 179 | R | A | -0.4370 | |
| 180 | Q | A | -0.7377 | |
| 181 | A | A | -1.1239 | |
| 182 | P | A | -1.2278 | |
| 183 | G | A | -1.4858 | |
| 184 | K | A | -2.3801 | |
| 185 | G | A | -1.5759 | |
| 186 | L | A | 0.0000 | |
| 187 | E | A | -1.1741 | |
| 188 | W | A | 0.0000 | |
| 189 | V | A | 0.0000 | |
| 190 | G | A | 0.0000 | |
| 191 | F | A | 0.0000 | |
| 192 | I | A | 0.0000 | |
| 193 | D | A | -1.5122 | |
| 194 | P | A | -1.7466 | |
| 195 | D | A | -2.7082 | |
| 196 | D | A | -3.0683 | |
| 197 | D | A | -2.7729 | |
| 198 | P | A | -1.2633 | |
| 199 | Y | A | -0.5534 | |
| 200 | Y | A | -0.6117 | |
| 201 | A | A | 0.0000 | |
| 202 | T | A | -0.8635 | |
| 203 | W | A | -0.4016 | |
| 204 | A | A | 0.0000 | |
| 205 | K | A | -1.8669 | |
| 206 | G | A | -1.5351 | |
| 207 | R | A | -1.3958 | |
| 208 | F | A | 0.0000 | |
| 209 | T | A | -0.8313 | |
| 210 | I | A | 0.0000 | |
| 211 | S | A | -0.6776 | |
| 212 | R | A | -1.0527 | |
| 213 | D | A | -1.6658 | |
| 214 | N | A | -1.8174 | |
| 215 | S | A | -1.6291 | |
| 216 | K | A | -2.3330 | |
| 217 | N | A | -1.5964 | |
| 218 | T | A | 0.0000 | |
| 219 | L | A | 0.0000 | |
| 220 | Y | A | 0.0000 | |
| 221 | L | A | 0.0000 | |
| 222 | Q | A | -1.2396 | |
| 223 | M | A | 0.0000 | |
| 224 | N | A | -1.5985 | |
| 225 | S | A | -1.5056 | |
| 226 | L | A | 0.0000 | |
| 227 | R | A | -2.9148 | |
| 228 | A | A | -2.0333 | |
| 229 | E | A | -2.4657 | |
| 230 | D | A | 0.0000 | |
| 231 | T | A | -0.4855 | |
| 232 | A | A | 0.0000 | |
| 233 | V | A | 0.7235 | |
| 234 | Y | A | 0.0000 | |
| 235 | Y | A | 0.0000 | |
| 236 | C | A | 0.0000 | |
| 237 | A | A | 0.0000 | |
| 238 | G | A | 0.0000 | |
| 239 | G | A | 0.0000 | |
| 240 | D | A | -0.9932 | |
| 241 | H | A | -1.2626 | |
| 242 | N | A | -1.5793 | |
| 243 | S | A | 0.0000 | |
| 244 | G | A | 0.0000 | |
| 245 | W | A | -0.2591 | |
| 246 | G | A | 0.0000 | |
| 247 | L | A | 0.0000 | |
| 248 | D | A | -1.6183 | |
| 249 | I | A | -0.7843 | |
| 250 | W | A | 0.0000 | |
| 251 | G | A | 0.0000 | |
| 252 | Q | A | -1.4426 | |
| 253 | G | A | 0.0000 | |
| 254 | T | A | 0.5205 | |
| 255 | L | A | 1.7122 | |
| 256 | V | A | 0.0000 | |
| 257 | T | A | 0.3250 | |
| 258 | V | A | 0.0000 | |
| 259 | S | A | -0.9194 | |
| 260 | S | A | -0.8431 | |
| 261 | G | A | -0.9727 | |
| 262 | G | A | -1.1178 | |
| 263 | G | A | -1.0246 | |
| 264 | G | A | -1.1115 | |
| 265 | S | A | -0.9421 | |
| 266 | G | A | -1.0289 | |
| 267 | T | A | -0.8883 | |
| 268 | G | A | -1.1027 | |
| 269 | G | A | -1.1516 | |
| 270 | G | A | -1.1594 | |
| 271 | S | A | -1.0708 | |
| 272 | G | A | -1.1915 | |
| 273 | G | A | -1.2499 | |
| 274 | G | A | -1.3532 | |
| 275 | G | A | -1.4354 | |
| 276 | S | A | -1.3738 | |
| 277 | Q | A | -1.5895 | |
| 278 | V | A | -0.6718 | |
| 279 | Q | A | -0.9493 | |
| 280 | L | A | 0.0000 | |
| 281 | V | A | -0.1152 | |
| 282 | Q | A | 0.0000 | |
| 283 | S | A | -0.6844 | |
| 284 | G | A | -0.6054 | |
| 285 | A | A | 0.0108 | |
| 286 | E | A | -0.2160 | |
| 287 | V | A | 0.7541 | |
| 288 | K | A | -1.0221 | |
| 289 | K | A | -2.3834 | |
| 290 | P | A | -2.3021 | |
| 291 | G | A | -2.1585 | |
| 292 | A | A | -1.6881 | |
| 293 | S | A | -1.8648 | |
| 294 | V | A | 0.0000 | |
| 295 | K | A | -2.1680 | |
| 296 | V | A | 0.0000 | |
| 297 | S | A | -0.8119 | |
| 298 | C | A | 0.0000 | |
| 299 | K | A | -0.8349 | |
| 300 | A | A | 0.0000 | |
| 301 | S | A | -0.5109 | |
| 302 | G | A | -0.7981 | |
| 303 | Y | A | -0.2287 | |
| 304 | T | A | -0.1955 | |
| 305 | F | A | 0.0000 | |
| 306 | T | A | -0.9074 | |
| 307 | G | A | -0.8335 | |
| 308 | Y | A | -0.4696 | |
| 309 | Y | A | 0.0000 | |
| 310 | M | A | 0.0000 | |
| 311 | H | A | 0.0000 | |
| 312 | W | A | 0.0000 | |
| 313 | V | A | 0.0000 | |
| 314 | R | A | 0.0000 | |
| 315 | Q | A | -0.5895 | |
| 316 | A | A | -0.9940 | |
| 317 | P | A | -1.0602 | |
| 318 | G | A | -1.2463 | |
| 319 | Q | A | -1.7655 | |
| 320 | G | A | -1.1945 | |
| 321 | L | A | 0.0000 | |
| 322 | E | A | -0.7136 | |
| 323 | W | A | 0.0000 | |
| 324 | M | A | 0.0000 | |
| 325 | G | A | 0.0000 | |
| 326 | W | A | 0.0000 | |
| 327 | I | A | 0.0000 | |
| 328 | N | A | -1.1383 | |
| 329 | P | A | 0.0000 | |
| 330 | N | A | -1.6872 | |
| 331 | S | A | -1.0761 | |
| 332 | G | A | -1.1194 | |
| 333 | G | A | -0.7806 | |
| 334 | T | A | -0.4832 | |
| 335 | N | A | -1.0105 | |
| 336 | Y | A | -1.2714 | |
| 337 | A | A | 0.0000 | |
| 338 | Q | A | -2.5429 | |
| 339 | K | A | -2.7581 | |
| 340 | F | A | 0.0000 | |
| 341 | Q | A | -2.5016 | |
| 342 | G | A | -1.8554 | |
| 343 | R | A | -1.8688 | |
| 344 | V | A | 0.0000 | |
| 345 | T | A | -0.9493 | |
| 346 | M | A | 0.0000 | |
| 347 | T | A | -0.8480 | |
| 348 | R | A | -1.0916 | |
| 349 | D | A | -0.6334 | |
| 350 | T | A | -0.2440 | |
| 351 | S | A | 0.4573 | |
| 352 | I | A | 1.3791 | |
| 353 | S | A | 0.1977 | |
| 354 | T | A | 0.0000 | |
| 355 | A | A | 0.0000 | |
| 356 | Y | A | -0.9157 | |
| 357 | M | A | 0.0000 | |
| 358 | E | A | -1.6809 | |
| 359 | L | A | 0.0000 | |
| 360 | S | A | -1.9475 | |
| 361 | R | A | -2.7841 | |
| 362 | L | A | 0.0000 | |
| 363 | R | A | -3.0030 | |
| 364 | S | A | -2.1941 | |
| 365 | D | A | -2.4019 | |
| 366 | D | A | 0.0000 | |
| 367 | T | A | -0.7059 | |
| 368 | A | A | 0.0000 | |
| 369 | V | A | 0.2592 | |
| 370 | Y | A | 0.0000 | |
| 371 | Y | A | 0.0000 | |
| 372 | C | A | 0.0000 | |
| 373 | A | A | 0.0000 | |
| 374 | R | A | 0.0000 | |
| 375 | S | A | 0.0000 | |
| 376 | P | A | -0.3510 | |
| 377 | N | A | -0.4069 | |
| 378 | P | A | 0.0000 | |
| 379 | Y | A | 2.0854 | |
| 380 | Y | A | 2.0540 | |
| 381 | Y | A | 2.2637 | |
| 382 | D | A | 0.8282 | |
| 383 | S | A | -0.0095 | |
| 384 | S | A | -0.0057 | |
| 385 | G | A | 0.4458 | |
| 386 | Y | A | 1.7262 | |
| 387 | Y | A | 1.9184 | |
| 388 | Y | A | 1.3963 | |
| 389 | P | A | 0.0000 | |
| 390 | G | A | -0.0999 | |
| 391 | A | A | 0.0000 | |
| 392 | F | A | 0.0000 | |
| 393 | D | A | -0.1919 | |
| 394 | I | A | 0.1805 | |
| 395 | W | A | 0.0000 | |
| 396 | G | A | 0.0000 | |
| 397 | Q | A | -1.1051 | |
| 398 | G | A | -0.5299 | |
| 399 | T | A | 0.0000 | |
| 400 | M | A | 0.3176 | |
| 401 | V | A | 0.0000 | |
| 402 | T | A | -0.2375 | |
| 403 | V | A | 0.0000 | |
| 404 | S | A | -1.1804 | |
| 405 | S | A | -1.2779 | |
| 406 | G | A | -1.1790 | |
| 407 | G | A | -1.1416 | |
| 408 | G | A | -1.1853 | |
| 409 | G | A | -1.1641 | |
| 410 | S | A | -0.9955 | |
| 411 | G | A | -1.0834 | |
| 412 | G | A | -1.1813 | |
| 413 | G | A | -1.1736 | |
| 414 | G | A | -1.1006 | |
| 415 | S | A | -1.0146 | |
| 416 | G | A | -1.1545 | |
| 417 | G | A | -1.1985 | |
| 418 | G | A | -1.1760 | |
| 419 | G | A | -1.1840 | |
| 420 | S | A | -1.0536 | |
| 421 | G | A | -1.1826 | |
| 422 | G | A | -1.2053 | |
| 423 | G | A | -1.1839 | |
| 424 | G | A | -1.0570 | |
| 425 | S | A | -0.4787 | |
| 426 | S | A | -0.0023 | |
| 427 | Y | A | 0.5795 | |
| 428 | V | A | 1.5448 | |
| 429 | L | A | 0.0000 | |
| 430 | T | A | 0.0500 | |
| 431 | Q | A | 0.0000 | |
| 432 | P | A | -0.5555 | |
| 433 | P | A | -0.9141 | |
| 434 | S | A | -0.9885 | |
| 435 | V | A | -0.8428 | |
| 436 | S | A | -0.3726 | |
| 437 | V | A | 0.0000 | |
| 438 | A | A | -0.7153 | |
| 439 | P | A | -1.5210 | |
| 440 | G | A | -2.2988 | |
| 441 | Q | A | -2.4449 | |
| 442 | T | A | -1.9585 | |
| 443 | A | A | 0.0000 | |
| 444 | R | A | -1.9788 | |
| 445 | I | A | 0.0000 | |
| 446 | T | A | -0.5888 | |
| 447 | C | A | 0.0000 | |
| 448 | G | A | -0.7937 | |
| 449 | G | A | -1.1226 | |
| 450 | N | A | -2.1489 | |
| 451 | N | A | -2.6730 | |
| 452 | I | A | 0.0000 | |
| 453 | G | A | -1.8570 | |
| 454 | S | A | -1.2508 | |
| 455 | K | A | -1.1892 | |
| 456 | S | A | -0.6426 | |
| 457 | V | A | 0.0000 | |
| 458 | H | A | 0.0000 | |
| 459 | W | A | 0.0000 | |
| 460 | Y | A | 0.0000 | |
| 461 | Q | A | -0.3337 | |
| 462 | Q | A | 0.0000 | |
| 463 | K | A | -1.3883 | |
| 464 | P | A | -1.2507 | |
| 465 | G | A | -1.3468 | |
| 466 | Q | A | -1.5203 | |
| 467 | A | A | -0.6349 | |
| 468 | P | A | 0.0000 | |
| 469 | V | A | 1.1952 | |
| 470 | L | A | 0.0000 | |
| 471 | V | A | 0.0000 | |
| 472 | V | A | 0.0000 | |
| 473 | Y | A | -1.3771 | |
| 474 | D | A | -2.0625 | |
| 475 | D | A | -1.9061 | |
| 476 | S | A | -1.8436 | |
| 477 | D | A | -2.5002 | |
| 478 | R | A | -2.0538 | |
| 479 | P | A | -0.7600 | |
| 480 | S | A | -0.9011 | |
| 481 | G | A | -0.7786 | |
| 482 | I | A | -0.5206 | |
| 483 | P | A | -1.2097 | |
| 484 | E | A | -2.2037 | |
| 485 | R | A | -1.9424 | |
| 486 | F | A | 0.0000 | |
| 487 | S | A | -1.3147 | |
| 488 | G | A | -1.2262 | |
| 489 | S | A | -1.0014 | |
| 490 | N | A | -1.2409 | |
| 491 | S | A | -1.3108 | |
| 492 | G | A | -1.9079 | |
| 493 | N | A | -2.6171 | |
| 494 | T | A | -1.5024 | |
| 495 | A | A | 0.0000 | |
| 496 | T | A | -0.7797 | |
| 497 | L | A | 0.0000 | |
| 498 | T | A | -1.0905 | |
| 499 | I | A | 0.0000 | |
| 500 | S | A | -2.2774 | |
| 501 | R | A | -3.0306 | |
| 502 | V | A | 0.0000 | |
| 503 | E | A | -2.6713 | |
| 504 | A | A | -1.3296 | |
| 505 | G | A | -1.1419 | |
| 506 | D | A | 0.0000 | |
| 507 | E | A | -1.5741 | |
| 508 | A | A | 0.0000 | |
| 509 | D | A | -1.7170 | |
| 510 | Y | A | 0.0000 | |
| 511 | Y | A | 0.0000 | |
| 512 | C | A | 0.0000 | |
| 513 | Q | A | 0.0000 | |
| 514 | V | A | 0.0000 | |
| 515 | W | A | 0.0000 | |
| 516 | D | A | 0.0000 | |
| 517 | S | A | -0.7966 | |
| 518 | S | A | -0.7862 | |
| 519 | S | A | -1.1313 | |
| 520 | D | A | -1.5539 | |
| 521 | H | A | -0.9667 | |
| 522 | W | A | 0.0000 | |
| 523 | V | A | 0.4087 | |
| 524 | F | A | 0.3835 | |
| 525 | G | A | 0.0000 | |
| 526 | G | A | -0.7926 | |
| 527 | G | A | -1.1160 | |
| 528 | T | A | 0.0000 | |
| 529 | K | A | -2.1502 | |
| 530 | L | A | 0.0000 | |
| 531 | T | A | -0.6319 | |
| 532 | V | A | -0.6141 | |
| 533 | L | A | 0.0011 | |
| 534 | E | A | -0.9359 | |
| 535 | L | A | 0.2088 | |
| 536 | E | A | -1.0878 | |
| 537 | F | A | 0.2506 | |
| 538 | H | A | -1.3570 | |
| 539 | H | A | -2.0505 | |
| 540 | H | A | -2.4057 | |
| 541 | H | A | -2.4733 | |
| 542 | H | A | -2.1851 | |
| 543 | H | A | -1.6801 | |
| 544 | L | A | -0.2508 | |
| 545 | E | A | -1.5031 |
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 | -0.4953 | 3.6451 | View | CSV | PDB |
| 4.5 | -0.5349 | 3.6517 | View | CSV | PDB |
| 5.0 | -0.5806 | 3.6702 | View | CSV | PDB |
| 5.5 | -0.6229 | 3.7141 | View | CSV | PDB |
| 6.0 | -0.6525 | 3.792 | View | CSV | PDB |
| 6.5 | -0.6655 | 3.8914 | View | CSV | PDB |
| 7.0 | -0.6664 | 3.9925 | View | CSV | PDB |
| 7.5 | -0.6619 | 4.0882 | View | CSV | PDB |
| 8.0 | -0.6549 | 4.1805 | View | CSV | PDB |
| 8.5 | -0.6446 | 4.2709 | View | CSV | PDB |
| 9.0 | -0.6292 | 4.3593 | 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