| Chain sequence(s) |
A: MARFSIPMIGFLLLCIILLAPTEAAYLKYKDPKQPLNVRIQDLMKRMTLEEKIGQMVQIERSVATPDAMTKYFIGSVLSGGGSVPAPKASAEAWVNLVNGIQKGSLSTRLGIPMIYGIDAVHGNNNVYNATIFPHNVGLGATRDPKLVKKIGEATALEVRATGIPYVFAPCIAVCRDPRWGRCYESYSEDHKIVQAMTELIPGLQGDMPPSAQKGAPFVSTAKGKVAACAKHYVGDGGTTKGINENNTVIDLNGLLSIHMPAYFDSILKGVATVMVSYSSWNGKKMHANQELVTGFLKNKLRFRGFVISDWEGIDRLTSPPKANYSYSVQAGVSAGIDMIMVPYNFTEFIDDLTNQVKNNIIPMSRIDDAVRRILRVKFVMGLFEEPLADLSLVNELGKKEHRELAREAVRKSLVLLKNGKSADKPSLPLPKKAGKILVAGSHADNLGNQCGGWTITWQGLGGNDLTVGTTILNAVKSAVDPTTQVVYNENPDANFVKSNKFDYAVVVVGEPPYAETFGDSLNLTISEPGPSTIANVCGAVKCVVVVISGRPVVIQPYLAKVDALVAAWLPGTEGQGVTDVLFGDYGFTGKLAHTWFKTVDQLPMNVGDQHYDPLFPFGFGLTTKPTKSY
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] (00:00:01)
[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. (00:00:03)
[INFO] FoldX: Starting FoldX energy minimization (00:00:04)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:10:19)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/a0e100c492ee80f/tmp/folded.pdb (00:10:19)
[INFO] Main: Simulation completed successfully. (00:15:20)
|
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 | M | A | 0.6815 | |
| 2 | A | A | 0.0773 | |
| 3 | R | A | -0.6787 | |
| 4 | F | A | 1.3824 | |
| 5 | S | A | 1.2629 | |
| 6 | I | A | 2.6783 | |
| 7 | P | A | 1.6545 | |
| 8 | M | A | 2.6482 | |
| 9 | I | A | 3.3959 | |
| 10 | G | A | 2.4946 | |
| 11 | F | A | 3.8057 | |
| 12 | L | A | 4.1819 | |
| 13 | L | A | 4.3271 | |
| 14 | L | A | 4.5211 | |
| 15 | C | A | 4.5996 | |
| 16 | I | A | 5.1232 | |
| 17 | I | A | 5.0920 | |
| 18 | L | A | 4.3934 | |
| 19 | L | A | 3.4501 | |
| 20 | A | A | 1.5635 | |
| 21 | P | A | -0.1724 | |
| 22 | T | A | -0.8009 | |
| 23 | E | A | -1.6589 | |
| 24 | A | A | -0.4373 | |
| 25 | A | A | 0.2106 | |
| 26 | Y | A | 0.8378 | |
| 27 | L | A | 0.2002 | |
| 28 | K | A | -1.0313 | |
| 29 | Y | A | 0.0000 | |
| 30 | K | A | -2.0666 | |
| 31 | D | A | -1.6703 | |
| 32 | P | A | -1.8715 | |
| 33 | K | A | -2.3128 | |
| 34 | Q | A | -1.6646 | |
| 35 | P | A | -0.8383 | |
| 36 | L | A | -0.4704 | |
| 37 | N | A | -1.3904 | |
| 38 | V | A | -0.4724 | |
| 39 | R | A | 0.0000 | |
| 40 | I | A | 0.0000 | |
| 41 | Q | A | -2.0531 | |
| 42 | D | A | 0.0000 | |
| 43 | L | A | 0.0000 | |
| 44 | M | A | 0.0000 | |
| 45 | K | A | -2.2728 | |
| 46 | R | A | -1.6819 | |
| 47 | M | A | 0.0000 | |
| 48 | T | A | -0.7658 | |
| 49 | L | A | -0.6363 | |
| 50 | E | A | -1.5566 | |
| 51 | E | A | 0.0000 | |
| 52 | K | A | 0.0000 | |
| 53 | I | A | 0.0000 | |
| 54 | G | A | 0.0000 | |
| 55 | Q | A | 0.0000 | |
| 56 | M | A | 0.0000 | |
| 57 | V | A | 0.0000 | |
| 58 | Q | A | 0.0000 | |
| 59 | I | A | 0.0000 | |
| 60 | E | A | 0.0000 | |
| 61 | R | A | -0.2789 | |
| 62 | S | A | -0.0798 | |
| 63 | V | A | 0.1969 | |
| 64 | A | A | 0.0000 | |
| 65 | T | A | -0.9711 | |
| 66 | P | A | -1.7139 | |
| 67 | D | A | -2.3516 | |
| 68 | A | A | -1.2940 | |
| 69 | M | A | 0.0000 | |
| 70 | T | A | -1.8027 | |
| 71 | K | A | -2.1993 | |
| 72 | Y | A | -0.9252 | |
| 73 | F | A | -0.6577 | |
| 74 | I | A | 0.0000 | |
| 75 | G | A | 0.0000 | |
| 76 | S | A | 0.0000 | |
| 77 | V | A | 0.0000 | |
| 78 | L | A | 0.0000 | |
| 79 | S | A | 0.0000 | |
| 80 | G | A | -0.1105 | |
| 81 | G | A | 0.0051 | |
| 82 | G | A | -0.0259 | |
| 83 | S | A | -0.0934 | |
| 84 | V | A | -0.0949 | |
| 85 | P | A | -0.4017 | |
| 86 | A | A | -0.4650 | |
| 87 | P | A | -0.9220 | |
| 88 | K | A | -1.8459 | |
| 89 | A | A | 0.0000 | |
| 90 | S | A | -0.9459 | |
| 91 | A | A | 0.0000 | |
| 92 | E | A | -1.3630 | |
| 93 | A | A | -1.0500 | |
| 94 | W | A | 0.0000 | |
| 95 | V | A | 0.0000 | |
| 96 | N | A | -1.5611 | |
| 97 | L | A | -0.6266 | |
| 98 | V | A | 0.0000 | |
| 99 | N | A | -1.1775 | |
| 100 | G | A | -1.1421 | |
| 101 | I | A | 0.0000 | |
| 102 | Q | A | 0.0000 | |
| 103 | K | A | -1.7285 | |
| 104 | G | A | 0.0000 | |
| 105 | S | A | 0.0000 | |
| 106 | L | A | -0.5582 | |
| 107 | S | A | -1.2966 | |
| 108 | T | A | -1.2944 | |
| 109 | R | A | -1.8765 | |
| 110 | L | A | 0.0000 | |
| 111 | G | A | -0.8673 | |
| 112 | I | A | 0.0000 | |
| 113 | P | A | 0.0000 | |
| 114 | M | A | 0.0000 | |
| 115 | I | A | 0.0000 | |
| 116 | Y | A | 0.0000 | |
| 117 | G | A | 0.0000 | |
| 118 | I | A | 0.0000 | |
| 119 | D | A | 0.0000 | |
| 120 | A | A | 0.0000 | |
| 121 | V | A | 0.0000 | |
| 122 | H | A | 0.0000 | |
| 123 | G | A | 0.0000 | |
| 124 | N | A | 0.0000 | |
| 125 | N | A | 0.0000 | |
| 126 | N | A | 0.0000 | |
| 127 | V | A | 0.0000 | |
| 128 | Y | A | -0.2688 | |
| 129 | N | A | -0.1592 | |
| 130 | A | A | 0.0000 | |
| 131 | T | A | 0.0000 | |
| 132 | I | A | 0.0000 | |
| 133 | F | A | 0.0000 | |
| 134 | P | A | 0.0000 | |
| 135 | H | A | 0.0000 | |
| 136 | N | A | 0.0000 | |
| 137 | V | A | 0.0000 | |
| 138 | G | A | 0.0000 | |
| 139 | L | A | 0.0000 | |
| 140 | G | A | 0.0000 | |
| 141 | A | A | 0.0000 | |
| 142 | T | A | 0.0000 | |
| 143 | R | A | -1.1120 | |
| 144 | D | A | -1.2809 | |
| 145 | P | A | -1.5995 | |
| 146 | K | A | -2.5188 | |
| 147 | L | A | 0.0000 | |
| 148 | V | A | 0.0000 | |
| 149 | K | A | -2.3318 | |
| 150 | K | A | -2.6160 | |
| 151 | I | A | 0.0000 | |
| 152 | G | A | 0.0000 | |
| 153 | E | A | -1.7981 | |
| 154 | A | A | 0.0000 | |
| 155 | T | A | 0.0000 | |
| 156 | A | A | 0.0000 | |
| 157 | L | A | -0.5466 | |
| 158 | E | A | 0.0000 | |
| 159 | V | A | 0.0000 | |
| 160 | R | A | -0.5691 | |
| 161 | A | A | 0.0000 | |
| 162 | T | A | 0.0000 | |
| 163 | G | A | 0.0000 | |
| 164 | I | A | 0.0000 | |
| 165 | P | A | 0.0000 | |
| 166 | Y | A | 0.0000 | |
| 167 | V | A | 0.0000 | |
| 168 | F | A | 0.0000 | |
| 169 | A | A | 0.0000 | |
| 170 | P | A | 0.0000 | |
| 171 | C | A | 0.0000 | |
| 172 | I | A | 0.0000 | |
| 173 | A | A | 0.0000 | |
| 174 | V | A | 0.0000 | |
| 175 | C | A | 0.0000 | |
| 176 | R | A | -0.4734 | |
| 177 | D | A | 0.0000 | |
| 178 | P | A | 0.0000 | |
| 179 | R | A | 0.0000 | |
| 180 | W | A | 0.0000 | |
| 181 | G | A | 0.0000 | |
| 182 | R | A | 0.0000 | |
| 183 | C | A | 0.0000 | |
| 184 | Y | A | 0.0000 | |
| 185 | E | A | 0.0000 | |
| 186 | S | A | 0.0000 | |
| 187 | Y | A | 0.0000 | |
| 188 | S | A | 0.0000 | |
| 189 | E | A | 0.0000 | |
| 190 | D | A | -0.7174 | |
| 191 | H | A | -1.1462 | |
| 192 | K | A | -1.8976 | |
| 193 | I | A | 0.0000 | |
| 194 | V | A | 0.0000 | |
| 195 | Q | A | -0.8642 | |
| 196 | A | A | -1.0429 | |
| 197 | M | A | 0.0000 | |
| 198 | T | A | 0.0000 | |
| 199 | E | A | -1.4982 | |
| 200 | L | A | 0.0000 | |
| 201 | I | A | 0.0000 | |
| 202 | P | A | 0.0000 | |
| 203 | G | A | 0.0000 | |
| 204 | L | A | 0.0000 | |
| 205 | Q | A | 0.0000 | |
| 206 | G | A | 0.0000 | |
| 207 | D | A | -1.8581 | |
| 208 | M | A | -1.1947 | |
| 209 | P | A | -0.8754 | |
| 210 | P | A | -0.9947 | |
| 211 | S | A | -0.8688 | |
| 212 | A | A | -1.1490 | |
| 213 | Q | A | -2.1860 | |
| 214 | K | A | -2.7146 | |
| 215 | G | A | 0.0000 | |
| 216 | A | A | -1.6912 | |
| 217 | P | A | 0.0000 | |
| 218 | F | A | -0.4853 | |
| 219 | V | A | 0.0000 | |
| 220 | S | A | -0.5942 | |
| 221 | T | A | -0.7703 | |
| 222 | A | A | -0.8605 | |
| 223 | K | A | -1.7415 | |
| 224 | G | A | 0.0000 | |
| 225 | K | A | -0.8766 | |
| 226 | V | A | 0.0000 | |
| 227 | A | A | 0.0000 | |
| 228 | A | A | 0.0000 | |
| 229 | C | A | 0.0000 | |
| 230 | A | A | 0.0000 | |
| 231 | K | A | 0.0000 | |
| 232 | H | A | 0.0000 | |
| 233 | Y | A | 0.0000 | |
| 234 | V | A | 0.0000 | |
| 235 | G | A | 0.0000 | |
| 236 | D | A | 0.0000 | |
| 237 | G | A | 0.0000 | |
| 238 | G | A | -0.0201 | |
| 239 | T | A | 0.0000 | |
| 240 | T | A | -0.3157 | |
| 241 | K | A | -1.0139 | |
| 242 | G | A | 0.0000 | |
| 243 | I | A | -0.0460 | |
| 244 | N | A | 0.0000 | |
| 245 | E | A | -0.7845 | |
| 246 | N | A | -0.8314 | |
| 247 | N | A | -0.7670 | |
| 248 | T | A | 0.0000 | |
| 249 | V | A | 1.2922 | |
| 250 | I | A | 0.3421 | |
| 251 | D | A | -1.1201 | |
| 252 | L | A | -0.0834 | |
| 253 | N | A | -1.1045 | |
| 254 | G | A | -0.4049 | |
| 255 | L | A | 0.0000 | |
| 256 | L | A | 0.1825 | |
| 257 | S | A | -0.0359 | |
| 258 | I | A | -0.1748 | |
| 259 | H | A | 0.0000 | |
| 260 | M | A | 0.0000 | |
| 261 | P | A | 0.1686 | |
| 262 | A | A | 0.0000 | |
| 263 | Y | A | 0.0000 | |
| 264 | F | A | 1.1492 | |
| 265 | D | A | 0.3751 | |
| 266 | S | A | 0.0000 | |
| 267 | I | A | 0.0000 | |
| 268 | L | A | -0.3263 | |
| 269 | K | A | -0.5831 | |
| 270 | G | A | 0.0000 | |
| 271 | V | A | 0.0000 | |
| 272 | A | A | 0.0000 | |
| 273 | T | A | 0.0000 | |
| 274 | V | A | 0.0000 | |
| 275 | M | A | 0.0000 | |
| 276 | V | A | 0.0000 | |
| 277 | S | A | 0.0000 | |
| 278 | Y | A | 0.0000 | |
| 279 | S | A | 0.0000 | |
| 280 | S | A | 0.0000 | |
| 281 | W | A | -0.6648 | |
| 282 | N | A | -0.7744 | |
| 283 | G | A | -1.4535 | |
| 284 | K | A | -2.3971 | |
| 285 | K | A | -1.7522 | |
| 286 | M | A | 0.0000 | |
| 287 | H | A | 0.0000 | |
| 288 | A | A | -1.0246 | |
| 289 | N | A | 0.0000 | |
| 290 | Q | A | -2.2107 | |
| 291 | E | A | -2.5131 | |
| 292 | L | A | 0.0000 | |
| 293 | V | A | 0.0000 | |
| 294 | T | A | -1.7450 | |
| 295 | G | A | -2.1403 | |
| 296 | F | A | -1.7722 | |
| 297 | L | A | 0.0000 | |
| 298 | K | A | 0.0000 | |
| 299 | N | A | -3.0586 | |
| 300 | K | A | -2.6718 | |
| 301 | L | A | 0.0000 | |
| 302 | R | A | -3.2833 | |
| 303 | F | A | 0.0000 | |
| 304 | R | A | -2.9666 | |
| 305 | G | A | 0.0000 | |
| 306 | F | A | 0.0000 | |
| 307 | V | A | 0.0000 | |
| 308 | I | A | 0.0000 | |
| 309 | S | A | 0.0000 | |
| 310 | D | A | 0.0000 | |
| 311 | W | A | -0.0344 | |
| 312 | E | A | -0.7752 | |
| 313 | G | A | 0.0000 | |
| 314 | I | A | 0.0000 | |
| 315 | D | A | 0.0000 | |
| 316 | R | A | -1.1324 | |
| 317 | L | A | 0.0000 | |
| 318 | T | A | -0.8477 | |
| 319 | S | A | -0.8279 | |
| 320 | P | A | -0.9017 | |
| 321 | P | A | -1.2358 | |
| 322 | K | A | -1.4448 | |
| 323 | A | A | -1.0705 | |
| 324 | N | A | -1.4219 | |
| 325 | Y | A | 0.0000 | |
| 326 | S | A | -0.9280 | |
| 327 | Y | A | -0.1759 | |
| 328 | S | A | 0.0000 | |
| 329 | V | A | 0.0000 | |
| 330 | Q | A | -0.1552 | |
| 331 | A | A | -0.3555 | |
| 332 | G | A | 0.0000 | |
| 333 | V | A | 0.0000 | |
| 334 | S | A | -0.3607 | |
| 335 | A | A | 0.0000 | |
| 336 | G | A | 0.0000 | |
| 337 | I | A | 0.0000 | |
| 338 | D | A | 0.0000 | |
| 339 | M | A | 0.0000 | |
| 340 | I | A | 0.0000 | |
| 341 | M | A | 0.0000 | |
| 342 | V | A | 0.0000 | |
| 343 | P | A | 0.0000 | |
| 344 | Y | A | 0.2806 | |
| 345 | N | A | -0.9572 | |
| 346 | F | A | 0.0000 | |
| 347 | T | A | -1.0070 | |
| 348 | E | A | -1.4872 | |
| 349 | F | A | 0.0000 | |
| 350 | I | A | 0.0000 | |
| 351 | D | A | -2.6337 | |
| 352 | D | A | -1.9535 | |
| 353 | L | A | 0.0000 | |
| 354 | T | A | -2.3332 | |
| 355 | N | A | -2.6949 | |
| 356 | Q | A | 0.0000 | |
| 357 | V | A | -1.4795 | |
| 358 | K | A | -2.7373 | |
| 359 | N | A | -2.4957 | |
| 360 | N | A | -1.6997 | |
| 361 | I | A | 0.1329 | |
| 362 | I | A | 0.0000 | |
| 363 | P | A | -0.4990 | |
| 364 | M | A | -0.1617 | |
| 365 | S | A | -0.4593 | |
| 366 | R | A | -0.7536 | |
| 367 | I | A | 0.0000 | |
| 368 | D | A | -1.3100 | |
| 369 | D | A | -1.6625 | |
| 370 | A | A | 0.0000 | |
| 371 | V | A | 0.0000 | |
| 372 | R | A | -2.8028 | |
| 373 | R | A | 0.0000 | |
| 374 | I | A | 0.0000 | |
| 375 | L | A | 0.0000 | |
| 376 | R | A | -1.0836 | |
| 377 | V | A | 0.0000 | |
| 378 | K | A | 0.0000 | |
| 379 | F | A | 0.0000 | |
| 380 | V | A | 0.4055 | |
| 381 | M | A | 0.0000 | |
| 382 | G | A | -0.6982 | |
| 383 | L | A | 0.0000 | |
| 384 | F | A | -0.9490 | |
| 385 | E | A | -1.8548 | |
| 386 | E | A | -2.1762 | |
| 387 | P | A | -1.1319 | |
| 388 | L | A | -0.8610 | |
| 389 | A | A | -1.0249 | |
| 390 | D | A | -1.5750 | |
| 391 | L | A | -0.2316 | |
| 392 | S | A | -0.5227 | |
| 393 | L | A | -0.5978 | |
| 394 | V | A | -0.5752 | |
| 395 | N | A | -1.2081 | |
| 396 | E | A | -1.2711 | |
| 397 | L | A | -0.6647 | |
| 398 | G | A | -1.0760 | |
| 399 | K | A | -2.3433 | |
| 400 | K | A | -3.2497 | |
| 401 | E | A | -3.4293 | |
| 402 | H | A | 0.0000 | |
| 403 | R | A | -2.4845 | |
| 404 | E | A | -3.1867 | |
| 405 | L | A | -2.0501 | |
| 406 | A | A | 0.0000 | |
| 407 | R | A | -1.8272 | |
| 408 | E | A | -1.5141 | |
| 409 | A | A | 0.0000 | |
| 410 | V | A | 0.0000 | |
| 411 | R | A | -0.7081 | |
| 412 | K | A | -0.9708 | |
| 413 | S | A | 0.0000 | |
| 414 | L | A | 0.0000 | |
| 415 | V | A | 0.0000 | |
| 416 | L | A | 0.0000 | |
| 417 | L | A | 0.0000 | |
| 418 | K | A | -0.5974 | |
| 419 | N | A | -1.1925 | |
| 420 | G | A | -2.0586 | |
| 421 | K | A | -2.5922 | |
| 422 | S | A | -2.1743 | |
| 423 | A | A | -1.9021 | |
| 424 | D | A | -2.9645 | |
| 425 | K | A | -3.1024 | |
| 426 | P | A | -1.9875 | |
| 427 | S | A | 0.0000 | |
| 428 | L | A | 0.0000 | |
| 429 | P | A | -0.6335 | |
| 430 | L | A | 0.0000 | |
| 431 | P | A | -1.3362 | |
| 432 | K | A | -1.8566 | |
| 433 | K | A | -2.5603 | |
| 434 | A | A | -2.0879 | |
| 435 | G | A | -1.9469 | |
| 436 | K | A | -2.0647 | |
| 437 | I | A | 0.0000 | |
| 438 | L | A | 0.0000 | |
| 439 | V | A | 0.0000 | |
| 440 | A | A | 0.0000 | |
| 441 | G | A | 0.0000 | |
| 442 | S | A | -1.2796 | |
| 443 | H | A | 0.0000 | |
| 444 | A | A | 0.0000 | |
| 445 | D | A | -1.2729 | |
| 446 | N | A | -0.9831 | |
| 447 | L | A | 0.0000 | |
| 448 | G | A | 0.0000 | |
| 449 | N | A | -0.3901 | |
| 450 | Q | A | 0.0000 | |
| 451 | C | A | 0.0000 | |
| 452 | G | A | 0.0000 | |
| 453 | G | A | 0.0000 | |
| 454 | W | A | 0.0000 | |
| 455 | T | A | 0.0000 | |
| 456 | I | A | 0.3516 | |
| 457 | T | A | 0.4403 | |
| 458 | W | A | 0.3855 | |
| 459 | Q | A | 0.4602 | |
| 460 | G | A | 0.0000 | |
| 461 | L | A | 0.6041 | |
| 462 | G | A | -0.5631 | |
| 463 | G | A | -1.1326 | |
| 464 | N | A | -1.7737 | |
| 465 | D | A | -2.1221 | |
| 466 | L | A | -0.8808 | |
| 467 | T | A | 0.0000 | |
| 468 | V | A | 0.2909 | |
| 469 | G | A | -0.4009 | |
| 470 | T | A | -0.5760 | |
| 471 | T | A | 0.0000 | |
| 472 | I | A | 0.0000 | |
| 473 | L | A | -0.9695 | |
| 474 | N | A | -1.9214 | |
| 475 | A | A | 0.0000 | |
| 476 | V | A | 0.0000 | |
| 477 | K | A | -2.1241 | |
| 478 | S | A | -1.3428 | |
| 479 | A | A | -1.2785 | |
| 480 | V | A | 0.0000 | |
| 481 | D | A | -1.8985 | |
| 482 | P | A | -1.2922 | |
| 483 | T | A | -1.1964 | |
| 484 | T | A | 0.0000 | |
| 485 | Q | A | -1.8017 | |
| 486 | V | A | 0.0000 | |
| 487 | V | A | -0.2247 | |
| 488 | Y | A | -0.3789 | |
| 489 | N | A | -1.2964 | |
| 490 | E | A | -2.2200 | |
| 491 | N | A | -2.4601 | |
| 492 | P | A | 0.0000 | |
| 493 | D | A | -2.7650 | |
| 494 | A | A | -2.0732 | |
| 495 | N | A | -2.3058 | |
| 496 | F | A | -1.7173 | |
| 497 | V | A | 0.0000 | |
| 498 | K | A | -2.9784 | |
| 499 | S | A | -1.9093 | |
| 500 | N | A | -2.0658 | |
| 501 | K | A | -2.8790 | |
| 502 | F | A | 0.0000 | |
| 503 | D | A | -2.4981 | |
| 504 | Y | A | 0.0000 | |
| 505 | A | A | 0.0000 | |
| 506 | V | A | 0.0000 | |
| 507 | V | A | 0.0000 | |
| 508 | V | A | 0.0000 | |
| 509 | V | A | 0.0000 | |
| 510 | G | A | 0.0000 | |
| 511 | E | A | 0.0000 | |
| 512 | P | A | -0.2419 | |
| 513 | P | A | 0.2403 | |
| 514 | Y | A | 0.0000 | |
| 515 | A | A | 0.0000 | |
| 516 | E | A | 0.3139 | |
| 517 | T | A | 0.6650 | |
| 518 | F | A | 1.6506 | |
| 519 | G | A | 0.0000 | |
| 520 | D | A | 0.2225 | |
| 521 | S | A | 0.2423 | |
| 522 | L | A | 0.3154 | |
| 523 | N | A | -0.8372 | |
| 524 | L | A | 0.0000 | |
| 525 | T | A | -0.4086 | |
| 526 | I | A | 0.0000 | |
| 527 | S | A | -1.1101 | |
| 528 | E | A | -2.1047 | |
| 529 | P | A | -1.7277 | |
| 530 | G | A | 0.0000 | |
| 531 | P | A | -0.6306 | |
| 532 | S | A | -1.0204 | |
| 533 | T | A | 0.0000 | |
| 534 | I | A | 0.0000 | |
| 535 | A | A | -0.6893 | |
| 536 | N | A | -1.5556 | |
| 537 | V | A | 0.0000 | |
| 538 | C | A | 0.0000 | |
| 539 | G | A | -1.0390 | |
| 540 | A | A | -1.5071 | |
| 541 | V | A | -1.3674 | |
| 542 | K | A | -1.2119 | |
| 543 | C | A | 0.0000 | |
| 544 | V | A | 0.0000 | |
| 545 | V | A | 0.0000 | |
| 546 | V | A | 0.0000 | |
| 547 | V | A | 0.0000 | |
| 548 | I | A | 0.0000 | |
| 549 | S | A | 0.0000 | |
| 550 | G | A | 0.0000 | |
| 551 | R | A | 0.0000 | |
| 552 | P | A | 0.0000 | |
| 553 | V | A | 0.0000 | |
| 554 | V | A | -0.2931 | |
| 555 | I | A | 0.0000 | |
| 556 | Q | A | -0.5703 | |
| 557 | P | A | -0.4874 | |
| 558 | Y | A | -0.1620 | |
| 559 | L | A | -0.3820 | |
| 560 | A | A | -0.6127 | |
| 561 | K | A | -1.1526 | |
| 562 | V | A | 0.0000 | |
| 563 | D | A | 0.0000 | |
| 564 | A | A | 0.0000 | |
| 565 | L | A | 0.0000 | |
| 566 | V | A | 0.0000 | |
| 567 | A | A | 0.0000 | |
| 568 | A | A | 0.0000 | |
| 569 | W | A | 0.0000 | |
| 570 | L | A | 0.0000 | |
| 571 | P | A | 0.0000 | |
| 572 | G | A | 0.0000 | |
| 573 | T | A | 0.0000 | |
| 574 | E | A | 0.0000 | |
| 575 | G | A | 0.0000 | |
| 576 | Q | A | -0.9868 | |
| 577 | G | A | 0.0000 | |
| 578 | V | A | 0.0000 | |
| 579 | T | A | 0.0000 | |
| 580 | D | A | 0.0000 | |
| 581 | V | A | 0.0000 | |
| 582 | L | A | 0.0000 | |
| 583 | F | A | 0.0000 | |
| 584 | G | A | 0.0000 | |
| 585 | D | A | -1.1659 | |
| 586 | Y | A | -0.4959 | |
| 587 | G | A | -0.7076 | |
| 588 | F | A | 0.0000 | |
| 589 | T | A | -0.5819 | |
| 590 | G | A | 0.0000 | |
| 591 | K | A | -0.9513 | |
| 592 | L | A | 0.0000 | |
| 593 | A | A | 0.0000 | |
| 594 | H | A | 0.0000 | |
| 595 | T | A | 0.0000 | |
| 596 | W | A | 0.0000 | |
| 597 | F | A | 0.0000 | |
| 598 | K | A | -1.9315 | |
| 599 | T | A | -1.3572 | |
| 600 | V | A | -1.0248 | |
| 601 | D | A | -2.0125 | |
| 602 | Q | A | -1.7270 | |
| 603 | L | A | 0.0000 | |
| 604 | P | A | -1.0070 | |
| 605 | M | A | 0.0000 | |
| 606 | N | A | 0.0000 | |
| 607 | V | A | -0.0642 | |
| 608 | G | A | -0.7074 | |
| 609 | D | A | -1.5742 | |
| 610 | Q | A | -2.0770 | |
| 611 | H | A | -2.0951 | |
| 612 | Y | A | -1.5454 | |
| 613 | D | A | -2.2813 | |
| 614 | P | A | -1.0887 | |
| 615 | L | A | -0.5767 | |
| 616 | F | A | -0.0803 | |
| 617 | P | A | 0.0598 | |
| 618 | F | A | 0.3795 | |
| 619 | G | A | -0.0588 | |
| 620 | F | A | 0.2770 | |
| 621 | G | A | -0.0834 | |
| 622 | L | A | 0.2426 | |
| 623 | T | A | -0.4051 | |
| 624 | T | A | -0.7838 | |
| 625 | K | A | -2.0158 | |
| 626 | P | A | -1.4936 | |
| 627 | T | A | -1.4062 | |
| 628 | K | A | -1.8026 | |
| 629 | S | A | -0.6504 | |
| 630 | Y | A | 0.7700 |
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 | -0.2684 | 7.3643 | View | CSV | PDB |
| 4.5 | -0.3052 | 7.3643 | View | CSV | PDB |
| 5.0 | -0.3465 | 7.3643 | View | CSV | PDB |
| 5.5 | -0.3835 | 7.3643 | View | CSV | PDB |
| 6.0 | -0.4056 | 7.3643 | View | CSV | PDB |
| 6.5 | -0.4061 | 7.3643 | View | CSV | PDB |
| 7.0 | -0.3866 | 7.3643 | View | CSV | PDB |
| 7.5 | -0.3543 | 7.3643 | View | CSV | PDB |
| 8.0 | -0.3143 | 7.3643 | View | CSV | PDB |
| 8.5 | -0.2678 | 7.3643 | View | CSV | PDB |
| 9.0 | -0.2147 | 7.3643 | 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