| Chain sequence(s) |
A: MVQIPQNPLILVDGSSYLYRAYHAFPPLTNSAGEPTGAMYGVLNMLRSLIMQYKPTHAAVVFDAKGKTFRDELFEHYKSHRPPMPDDLRAQIEPLHAMVKAMGLPLLAVSGVEADDVIGTLAREAEKAGRPVLISTGDKDMAQLVTPNITLINTMTNTILGPEEVVNKYGVPPELIIDFLALMGDSSDNIPGVPGVGEKTAQALLQGLGGLDTLYAEPEKIAGLSFRGAKTMAAKLEQNKEVAYLSYQLATIKTDVELELTCEQLEVQQPAAEELLGLFKKYEFKRWTADVEAGKWLQAKGAKPAAKPQETSVADEAPEVTATVISYDNYVTILDEETLKAWIAKLEKAPVFAFDTETDSLDNISANLVGLSFAIEPGVAAYIPVAHDYLDAPDQISRERALELLKPLLEDEKALKVGQNLKYDRGILANYGIELRGIAFDTMLESYILNSVAGRHDMDSLAERWLKHKTITFEEIAGKGKNQLTFNQIALEEAGRYAAEDADVTLQLHLKMWPDLQKHKGPLNVFENIEMPLVPVLSRIERNGVKIDPKVLHNHSEELTLRLAELEKKAHEIAGEEFNLSSTKQLQTILFEKQGIKPLKKTPGGAPSTSEEVLEELALDYPLPKVILEYRGLAKLKSTYTDKLPLMINPKTGRVHTSYHQAVTATGRLSSTDPNLQNIPVRNEEGRRIRQAFIAPEDYVIVSADYSQIELRIMAHLSRDKGLLTAFAEGKDIHRATAAEVFGLPLETVTSEQRRSAKAINFGLIYGMSAFGLARQLNIPRKEAQKYMDLYFERYPGVLEYMERTRAQAKEQGYVETLDGRRLYLPDIKSSNGARRAAAERAAINAPMQGTAADIIKRAMIAVDAWLQAEQPRVRMIMQVHDELVFEVHKDDVDAVAKQIHQLMENCTRLDVPLLVEVGSGENWDQAH
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. (00:00:04)
[INFO] FoldX: Starting FoldX energy minimization (00:00:04)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:05:47)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/a646f9b84bcc0e6/tmp/folded.pdb (00:05:47)
[INFO] Main: Simulation completed successfully. (00:10:01)
|
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 | 0.7790 | |
| 2 | V | A | 0.1289 | |
| 3 | Q | A | -0.7712 | |
| 4 | I | A | -0.5522 | |
| 5 | P | A | -1.1135 | |
| 6 | Q | A | -1.6897 | |
| 7 | N | A | -1.2377 | |
| 8 | P | A | 0.0000 | |
| 9 | L | A | 0.0000 | |
| 10 | I | A | 0.0000 | |
| 11 | L | A | 0.0000 | |
| 12 | V | A | 0.0000 | |
| 13 | D | A | 0.0000 | |
| 14 | G | A | 0.0000 | |
| 15 | S | A | -0.2873 | |
| 16 | S | A | 0.0000 | |
| 17 | Y | A | 0.0000 | |
| 18 | L | A | 0.0000 | |
| 19 | Y | A | 0.2786 | |
| 20 | R | A | 0.0000 | |
| 21 | A | A | 0.0000 | |
| 22 | Y | A | 0.3451 | |
| 23 | H | A | 0.0646 | |
| 24 | A | A | 0.1151 | |
| 25 | F | A | 0.2977 | |
| 26 | P | A | -0.7796 | |
| 27 | P | A | -0.3453 | |
| 28 | L | A | 0.2447 | |
| 29 | T | A | -0.3101 | |
| 30 | N | A | 0.0000 | |
| 31 | S | A | -0.7695 | |
| 32 | A | A | -0.7274 | |
| 33 | G | A | -0.7315 | |
| 34 | E | A | -0.9858 | |
| 35 | P | A | -0.7609 | |
| 36 | T | A | 0.0000 | |
| 37 | G | A | 0.0000 | |
| 38 | A | A | 0.0000 | |
| 39 | M | A | 0.0000 | |
| 40 | Y | A | 0.3822 | |
| 41 | G | A | 0.0000 | |
| 42 | V | A | 0.0000 | |
| 43 | L | A | 0.0000 | |
| 44 | N | A | -0.5193 | |
| 45 | M | A | -0.1790 | |
| 46 | L | A | 0.0000 | |
| 47 | R | A | -0.8324 | |
| 48 | S | A | -0.7528 | |
| 49 | L | A | 0.0000 | |
| 50 | I | A | 0.0000 | |
| 51 | M | A | -1.0992 | |
| 52 | Q | A | -1.5649 | |
| 53 | Y | A | -1.3526 | |
| 54 | K | A | -2.0347 | |
| 55 | P | A | 0.0000 | |
| 56 | T | A | -1.2338 | |
| 57 | H | A | -1.6514 | |
| 58 | A | A | 0.0000 | |
| 59 | A | A | 0.0000 | |
| 60 | V | A | 0.0000 | |
| 61 | V | A | 0.0000 | |
| 62 | F | A | 0.0000 | |
| 63 | D | A | -1.5526 | |
| 64 | A | A | -1.5989 | |
| 65 | K | A | -2.4945 | |
| 66 | G | A | -2.4015 | |
| 67 | K | A | -2.8741 | |
| 68 | T | A | -1.6366 | |
| 69 | F | A | -0.6762 | |
| 70 | R | A | 0.0000 | |
| 71 | D | A | -2.5718 | |
| 72 | E | A | -2.4514 | |
| 73 | L | A | -0.6786 | |
| 74 | F | A | -1.4496 | |
| 75 | E | A | -2.7650 | |
| 76 | H | A | -2.5299 | |
| 77 | Y | A | 0.0000 | |
| 78 | K | A | -1.8793 | |
| 79 | S | A | -1.9295 | |
| 80 | H | A | -1.7748 | |
| 81 | R | A | -1.2275 | |
| 82 | P | A | -0.8158 | |
| 83 | P | A | -0.9857 | |
| 84 | M | A | -1.0297 | |
| 85 | P | A | -1.5377 | |
| 86 | D | A | -2.6349 | |
| 87 | D | A | -1.7430 | |
| 88 | L | A | 0.0000 | |
| 89 | R | A | -2.7793 | |
| 90 | A | A | -1.8572 | |
| 91 | Q | A | 0.0000 | |
| 92 | I | A | -1.2830 | |
| 93 | E | A | -2.0524 | |
| 94 | P | A | -1.1810 | |
| 95 | L | A | 0.0000 | |
| 96 | H | A | -1.1178 | |
| 97 | A | A | -1.2506 | |
| 98 | M | A | 0.0000 | |
| 99 | V | A | 0.0000 | |
| 100 | K | A | -2.0023 | |
| 101 | A | A | 0.0000 | |
| 102 | M | A | 0.0000 | |
| 103 | G | A | 0.0000 | |
| 104 | L | A | 0.0000 | |
| 105 | P | A | -0.9388 | |
| 106 | L | A | -0.1955 | |
| 107 | L | A | 0.0000 | |
| 108 | A | A | -0.3373 | |
| 109 | V | A | -0.4894 | |
| 110 | S | A | -0.9581 | |
| 111 | G | A | -1.1986 | |
| 112 | V | A | -0.6754 | |
| 113 | E | A | 0.0000 | |
| 114 | A | A | 0.0000 | |
| 115 | D | A | -0.5745 | |
| 116 | D | A | 0.0000 | |
| 117 | V | A | 0.0000 | |
| 118 | I | A | 0.0000 | |
| 119 | G | A | 0.0000 | |
| 120 | T | A | -1.2703 | |
| 121 | L | A | 0.0000 | |
| 122 | A | A | 0.0000 | |
| 123 | R | A | -1.7676 | |
| 124 | E | A | -2.1013 | |
| 125 | A | A | 0.0000 | |
| 126 | E | A | -2.0472 | |
| 127 | K | A | -2.4969 | |
| 128 | A | A | -1.6717 | |
| 129 | G | A | -1.5665 | |
| 130 | R | A | -1.7001 | |
| 131 | P | A | -1.1749 | |
| 132 | V | A | 0.0000 | |
| 133 | L | A | 0.0000 | |
| 134 | I | A | 0.0000 | |
| 135 | S | A | 0.0000 | |
| 136 | T | A | 0.0000 | |
| 137 | G | A | -0.6551 | |
| 138 | D | A | -1.1114 | |
| 139 | K | A | -1.2273 | |
| 140 | D | A | -0.7368 | |
| 141 | M | A | 0.0000 | |
| 142 | A | A | 0.0000 | |
| 143 | Q | A | 0.0000 | |
| 144 | L | A | 0.0000 | |
| 145 | V | A | 0.0000 | |
| 146 | T | A | -0.9399 | |
| 147 | P | A | -0.8549 | |
| 148 | N | A | -1.3874 | |
| 149 | I | A | 0.0000 | |
| 150 | T | A | 0.0000 | |
| 151 | L | A | 0.0000 | |
| 152 | I | A | 0.0000 | |
| 153 | N | A | -0.6075 | |
| 154 | T | A | -0.5077 | |
| 155 | M | A | -0.2684 | |
| 156 | T | A | -0.7070 | |
| 157 | N | A | -1.3412 | |
| 158 | T | A | -0.4391 | |
| 159 | I | A | 0.0457 | |
| 160 | L | A | -0.3024 | |
| 161 | G | A | 0.0000 | |
| 162 | P | A | -1.2960 | |
| 163 | E | A | -2.1237 | |
| 164 | E | A | -1.6295 | |
| 165 | V | A | 0.0000 | |
| 166 | V | A | -0.9561 | |
| 167 | N | A | -2.2127 | |
| 168 | K | A | -2.2365 | |
| 169 | Y | A | 0.0000 | |
| 170 | G | A | -1.3461 | |
| 171 | V | A | 0.0000 | |
| 172 | P | A | -1.1398 | |
| 173 | P | A | 0.0000 | |
| 174 | E | A | -1.6859 | |
| 175 | L | A | -0.6496 | |
| 176 | I | A | 0.0000 | |
| 177 | I | A | -0.1087 | |
| 178 | D | A | 0.0000 | |
| 179 | F | A | 0.0000 | |
| 180 | L | A | 0.0000 | |
| 181 | A | A | 0.0000 | |
| 182 | L | A | 0.0000 | |
| 183 | M | A | -0.5650 | |
| 184 | G | A | 0.0000 | |
| 185 | D | A | -0.6700 | |
| 186 | S | A | -0.8248 | |
| 187 | S | A | -0.9195 | |
| 188 | D | A | -1.2790 | |
| 189 | N | A | -1.3959 | |
| 190 | I | A | 0.0000 | |
| 191 | P | A | -0.3229 | |
| 192 | G | A | 0.0000 | |
| 193 | V | A | 0.0000 | |
| 194 | P | A | -0.6245 | |
| 195 | G | A | -0.8446 | |
| 196 | V | A | 0.0000 | |
| 197 | G | A | -1.4539 | |
| 198 | E | A | -2.1353 | |
| 199 | K | A | -2.5003 | |
| 200 | T | A | -1.7372 | |
| 201 | A | A | 0.0000 | |
| 202 | Q | A | 0.0000 | |
| 203 | A | A | -1.2609 | |
| 204 | L | A | 0.0000 | |
| 205 | L | A | 0.0000 | |
| 206 | Q | A | -1.3363 | |
| 207 | G | A | -1.1570 | |
| 208 | L | A | -0.8000 | |
| 209 | G | A | -0.7524 | |
| 210 | G | A | -0.9367 | |
| 211 | L | A | 0.0000 | |
| 212 | D | A | -1.8177 | |
| 213 | T | A | -1.2069 | |
| 214 | L | A | 0.0000 | |
| 215 | Y | A | -1.3957 | |
| 216 | A | A | -1.1936 | |
| 217 | E | A | -2.0186 | |
| 218 | P | A | -1.9701 | |
| 219 | E | A | -3.0812 | |
| 220 | K | A | -2.9571 | |
| 221 | I | A | 0.0000 | |
| 222 | A | A | -1.8678 | |
| 223 | G | A | -1.4877 | |
| 224 | L | A | -1.0567 | |
| 225 | S | A | -0.7730 | |
| 226 | F | A | -1.3077 | |
| 227 | R | A | -2.3613 | |
| 228 | G | A | -1.8559 | |
| 229 | A | A | 0.0000 | |
| 230 | K | A | -2.5949 | |
| 231 | T | A | -1.3411 | |
| 232 | M | A | 0.0000 | |
| 233 | A | A | -1.9064 | |
| 234 | A | A | -1.7457 | |
| 235 | K | A | -2.0563 | |
| 236 | L | A | 0.0000 | |
| 237 | E | A | -3.0764 | |
| 238 | Q | A | -2.8111 | |
| 239 | N | A | -2.1209 | |
| 240 | K | A | -2.4172 | |
| 241 | E | A | -2.0885 | |
| 242 | V | A | -0.6936 | |
| 243 | A | A | 0.0000 | |
| 244 | Y | A | -0.2254 | |
| 245 | L | A | 0.1725 | |
| 246 | S | A | 0.0000 | |
| 247 | Y | A | 0.2370 | |
| 248 | Q | A | -0.2388 | |
| 249 | L | A | 0.0000 | |
| 250 | A | A | 0.0000 | |
| 251 | T | A | -0.3470 | |
| 252 | I | A | 0.0000 | |
| 253 | K | A | -1.3175 | |
| 254 | T | A | -1.6180 | |
| 255 | D | A | -2.4912 | |
| 256 | V | A | -1.8295 | |
| 257 | E | A | -2.3972 | |
| 258 | L | A | -1.5783 | |
| 259 | E | A | -2.0102 | |
| 260 | L | A | -1.2884 | |
| 261 | T | A | -1.4771 | |
| 262 | C | A | 0.0000 | |
| 263 | E | A | -2.8221 | |
| 264 | Q | A | -2.6500 | |
| 265 | L | A | 0.0000 | |
| 266 | E | A | -2.7066 | |
| 267 | V | A | -1.8398 | |
| 268 | Q | A | -2.2228 | |
| 269 | Q | A | -1.8042 | |
| 270 | P | A | -1.5456 | |
| 271 | A | A | -1.7804 | |
| 272 | A | A | -1.9149 | |
| 273 | E | A | -2.9121 | |
| 274 | E | A | -3.0622 | |
| 275 | L | A | 0.0000 | |
| 276 | L | A | -2.1430 | |
| 277 | G | A | -2.3182 | |
| 278 | L | A | -1.7535 | |
| 279 | F | A | 0.0000 | |
| 280 | K | A | -3.1865 | |
| 281 | K | A | -2.7251 | |
| 282 | Y | A | 0.0000 | |
| 283 | E | A | -2.6706 | |
| 284 | F | A | 0.0000 | |
| 285 | K | A | -3.3323 | |
| 286 | R | A | -2.9390 | |
| 287 | W | A | 0.0000 | |
| 288 | T | A | -2.5369 | |
| 289 | A | A | -2.1167 | |
| 290 | D | A | 0.0000 | |
| 291 | V | A | 0.0000 | |
| 292 | E | A | -2.6028 | |
| 293 | A | A | -1.5984 | |
| 294 | G | A | -1.9537 | |
| 295 | K | A | -2.8739 | |
| 296 | W | A | 0.0000 | |
| 297 | L | A | -1.2324 | |
| 298 | Q | A | -2.1926 | |
| 299 | A | A | -1.8152 | |
| 300 | K | A | -2.6944 | |
| 301 | G | A | -2.1885 | |
| 302 | A | A | -1.4759 | |
| 303 | K | A | -2.1684 | |
| 304 | P | A | -1.3103 | |
| 305 | A | A | -0.9719 | |
| 306 | A | A | -1.3860 | |
| 307 | K | A | -2.3790 | |
| 308 | P | A | -2.1606 | |
| 309 | Q | A | -2.5464 | |
| 310 | E | A | -2.4827 | |
| 311 | T | A | -0.9205 | |
| 312 | S | A | -0.2907 | |
| 313 | V | A | 0.4106 | |
| 314 | A | A | -0.5753 | |
| 315 | D | A | -2.2435 | |
| 316 | E | A | -2.7254 | |
| 317 | A | A | -1.7335 | |
| 318 | P | A | -1.4877 | |
| 319 | E | A | -1.4200 | |
| 320 | V | A | 0.2542 | |
| 321 | T | A | 0.4294 | |
| 322 | A | A | 0.2307 | |
| 323 | T | A | 0.9336 | |
| 324 | V | A | 1.8252 | |
| 325 | I | A | 0.8535 | |
| 326 | S | A | 0.1367 | |
| 327 | Y | A | 0.1155 | |
| 328 | D | A | -1.5720 | |
| 329 | N | A | -0.9969 | |
| 330 | Y | A | 0.0809 | |
| 331 | V | A | 0.9892 | |
| 332 | T | A | 0.4294 | |
| 333 | I | A | 0.0000 | |
| 334 | L | A | -0.7259 | |
| 335 | D | A | -2.1688 | |
| 336 | E | A | -2.4892 | |
| 337 | E | A | -2.9239 | |
| 338 | T | A | -1.6561 | |
| 339 | L | A | 0.0000 | |
| 340 | K | A | -2.6085 | |
| 341 | A | A | -1.5333 | |
| 342 | W | A | -1.3573 | |
| 343 | I | A | 0.0000 | |
| 344 | A | A | -1.9331 | |
| 345 | K | A | -2.4731 | |
| 346 | L | A | 0.0000 | |
| 347 | E | A | -3.2616 | |
| 348 | K | A | -2.9742 | |
| 349 | A | A | -1.8371 | |
| 350 | P | A | -0.9181 | |
| 351 | V | A | -0.5505 | |
| 352 | F | A | 0.0000 | |
| 353 | A | A | 0.0000 | |
| 354 | F | A | 0.0000 | |
| 355 | D | A | -0.1748 | |
| 356 | T | A | 0.0096 | |
| 357 | E | A | 0.0000 | |
| 358 | T | A | -0.3188 | |
| 359 | D | A | -0.5781 | |
| 360 | S | A | 0.0702 | |
| 361 | L | A | 1.1512 | |
| 362 | D | A | -0.0159 | |
| 363 | N | A | -0.1392 | |
| 364 | I | A | 0.0000 | |
| 365 | S | A | -0.8111 | |
| 366 | A | A | 0.0000 | |
| 367 | N | A | -0.9128 | |
| 368 | L | A | 0.0000 | |
| 369 | V | A | 0.0000 | |
| 370 | G | A | 0.0000 | |
| 371 | L | A | 0.0000 | |
| 372 | S | A | 0.0000 | |
| 373 | F | A | 0.0000 | |
| 374 | A | A | 0.0000 | |
| 375 | I | A | -0.9675 | |
| 376 | E | A | -1.6196 | |
| 377 | P | A | -0.9934 | |
| 378 | G | A | -0.7977 | |
| 379 | V | A | -0.1245 | |
| 380 | A | A | 0.0000 | |
| 381 | A | A | 0.0000 | |
| 382 | Y | A | 0.0000 | |
| 383 | I | A | 0.0000 | |
| 384 | P | A | 0.0000 | |
| 385 | V | A | 0.0000 | |
| 386 | A | A | -1.0973 | |
| 387 | H | A | 0.0000 | |
| 388 | D | A | -2.1791 | |
| 389 | Y | A | 0.0000 | |
| 390 | L | A | -0.5471 | |
| 391 | D | A | -1.1090 | |
| 392 | A | A | -1.2584 | |
| 393 | P | A | -1.3843 | |
| 394 | D | A | -2.2639 | |
| 395 | Q | A | -1.4971 | |
| 396 | I | A | 0.0000 | |
| 397 | S | A | -1.7005 | |
| 398 | R | A | -1.8232 | |
| 399 | E | A | -2.7245 | |
| 400 | R | A | -2.3815 | |
| 401 | A | A | 0.0000 | |
| 402 | L | A | 0.0000 | |
| 403 | E | A | -2.7697 | |
| 404 | L | A | -1.7967 | |
| 405 | L | A | 0.0000 | |
| 406 | K | A | -1.8910 | |
| 407 | P | A | -1.8355 | |
| 408 | L | A | 0.0000 | |
| 409 | L | A | 0.0000 | |
| 410 | E | A | -2.4344 | |
| 411 | D | A | -3.0558 | |
| 412 | E | A | -3.5193 | |
| 413 | K | A | -3.0877 | |
| 414 | A | A | -2.2952 | |
| 415 | L | A | -0.7963 | |
| 416 | K | A | 0.0000 | |
| 417 | V | A | 0.0000 | |
| 418 | G | A | 0.0000 | |
| 419 | Q | A | -0.2323 | |
| 420 | N | A | -0.1581 | |
| 421 | L | A | 0.0000 | |
| 422 | K | A | 0.0000 | |
| 423 | Y | A | 0.8541 | |
| 424 | D | A | 0.0000 | |
| 425 | R | A | 0.0000 | |
| 426 | G | A | 0.0000 | |
| 427 | I | A | 0.0000 | |
| 428 | L | A | 0.0000 | |
| 429 | A | A | -0.5317 | |
| 430 | N | A | -0.6773 | |
| 431 | Y | A | -0.8025 | |
| 432 | G | A | -0.7452 | |
| 433 | I | A | 0.0000 | |
| 434 | E | A | -2.0284 | |
| 435 | L | A | 0.0000 | |
| 436 | R | A | -2.7514 | |
| 437 | G | A | 0.0000 | |
| 438 | I | A | -0.6162 | |
| 439 | A | A | -0.4785 | |
| 440 | F | A | 0.1532 | |
| 441 | D | A | 0.0000 | |
| 442 | T | A | 0.0000 | |
| 443 | M | A | -0.3213 | |
| 444 | L | A | 0.0000 | |
| 445 | E | A | 0.0000 | |
| 446 | S | A | 0.0000 | |
| 447 | Y | A | 0.0000 | |
| 448 | I | A | 0.0000 | |
| 449 | L | A | -0.1996 | |
| 450 | N | A | 0.0835 | |
| 451 | S | A | 0.3555 | |
| 452 | V | A | 0.6649 | |
| 453 | A | A | -0.1803 | |
| 454 | G | A | -0.9042 | |
| 455 | R | A | -1.9102 | |
| 456 | H | A | 0.0000 | |
| 457 | D | A | -1.5382 | |
| 458 | M | A | 0.0000 | |
| 459 | D | A | -2.2886 | |
| 460 | S | A | -2.2513 | |
| 461 | L | A | 0.0000 | |
| 462 | A | A | 0.0000 | |
| 463 | E | A | -3.0289 | |
| 464 | R | A | -2.0159 | |
| 465 | W | A | -1.0276 | |
| 466 | L | A | -1.5365 | |
| 467 | K | A | -2.3900 | |
| 468 | H | A | -2.1485 | |
| 469 | K | A | -2.3986 | |
| 470 | T | A | 0.0000 | |
| 471 | I | A | -0.5690 | |
| 472 | T | A | -0.9521 | |
| 473 | F | A | -0.6094 | |
| 474 | E | A | -2.2749 | |
| 475 | E | A | -2.2759 | |
| 476 | I | A | 0.0000 | |
| 477 | A | A | 0.0000 | |
| 478 | G | A | 0.0000 | |
| 479 | K | A | -3.2084 | |
| 480 | G | A | -2.7322 | |
| 481 | K | A | -2.9275 | |
| 482 | N | A | -2.5109 | |
| 483 | Q | A | -2.4979 | |
| 484 | L | A | -1.2184 | |
| 485 | T | A | -0.4933 | |
| 486 | F | A | 0.0000 | |
| 487 | N | A | -1.1101 | |
| 488 | Q | A | -1.0383 | |
| 489 | I | A | 0.0000 | |
| 490 | A | A | 0.0000 | |
| 491 | L | A | 0.0000 | |
| 492 | E | A | 0.0250 | |
| 493 | E | A | -0.3093 | |
| 494 | A | A | 0.0000 | |
| 495 | G | A | 0.0000 | |
| 496 | R | A | -0.1688 | |
| 497 | Y | A | -0.0825 | |
| 498 | A | A | 0.0000 | |
| 499 | A | A | 0.0000 | |
| 500 | E | A | 0.0000 | |
| 501 | D | A | -0.3634 | |
| 502 | A | A | 0.0000 | |
| 503 | D | A | 0.0000 | |
| 504 | V | A | 0.0000 | |
| 505 | T | A | 0.0000 | |
| 506 | L | A | 0.0000 | |
| 507 | Q | A | -0.6482 | |
| 508 | L | A | 0.0000 | |
| 509 | H | A | 0.0000 | |
| 510 | L | A | -0.1208 | |
| 511 | K | A | -1.1290 | |
| 512 | M | A | 0.0000 | |
| 513 | W | A | -0.7694 | |
| 514 | P | A | -1.5371 | |
| 515 | D | A | -2.4058 | |
| 516 | L | A | 0.0000 | |
| 517 | Q | A | -2.5943 | |
| 518 | K | A | -3.1865 | |
| 519 | H | A | -2.7541 | |
| 520 | K | A | -2.6186 | |
| 521 | G | A | -1.5315 | |
| 522 | P | A | 0.0000 | |
| 523 | L | A | -1.9517 | |
| 524 | N | A | -1.6850 | |
| 525 | V | A | 0.0000 | |
| 526 | F | A | 0.0000 | |
| 527 | E | A | -2.0731 | |
| 528 | N | A | -1.8669 | |
| 529 | I | A | 0.0000 | |
| 530 | E | A | 0.0000 | |
| 531 | M | A | 0.0000 | |
| 532 | P | A | -0.5924 | |
| 533 | L | A | 0.0000 | |
| 534 | V | A | 0.0000 | |
| 535 | P | A | -0.2564 | |
| 536 | V | A | 0.0000 | |
| 537 | L | A | 0.0000 | |
| 538 | S | A | 0.0000 | |
| 539 | R | A | -0.6218 | |
| 540 | I | A | 0.0000 | |
| 541 | E | A | -0.6421 | |
| 542 | R | A | -0.8582 | |
| 543 | N | A | -0.8848 | |
| 544 | G | A | 0.0000 | |
| 545 | V | A | 0.0000 | |
| 546 | K | A | -0.5889 | |
| 547 | I | A | 0.0000 | |
| 548 | D | A | -0.8749 | |
| 549 | P | A | -1.1902 | |
| 550 | K | A | -2.2706 | |
| 551 | V | A | -1.2852 | |
| 552 | L | A | 0.0000 | |
| 553 | H | A | -2.8650 | |
| 554 | N | A | -2.9213 | |
| 555 | H | A | 0.0000 | |
| 556 | S | A | -2.2284 | |
| 557 | E | A | -2.8053 | |
| 558 | E | A | -2.0269 | |
| 559 | L | A | 0.0000 | |
| 560 | T | A | -0.8859 | |
| 561 | L | A | -0.1264 | |
| 562 | R | A | -1.5704 | |
| 563 | L | A | -1.4401 | |
| 564 | A | A | -1.2792 | |
| 565 | E | A | -2.6442 | |
| 566 | L | A | 0.0000 | |
| 567 | E | A | -2.7954 | |
| 568 | K | A | -3.8881 | |
| 569 | K | A | -2.8717 | |
| 570 | A | A | 0.0000 | |
| 571 | H | A | -3.2736 | |
| 572 | E | A | -3.0593 | |
| 573 | I | A | -1.4018 | |
| 574 | A | A | 0.0000 | |
| 575 | G | A | -2.0315 | |
| 576 | E | A | -2.5638 | |
| 577 | E | A | -3.2337 | |
| 578 | F | A | 0.0000 | |
| 579 | N | A | -2.0896 | |
| 580 | L | A | 0.0000 | |
| 581 | S | A | -0.9888 | |
| 582 | S | A | -1.3019 | |
| 583 | T | A | -1.3207 | |
| 584 | K | A | -2.2168 | |
| 585 | Q | A | -1.7386 | |
| 586 | L | A | 0.0000 | |
| 587 | Q | A | -1.4983 | |
| 588 | T | A | -1.8618 | |
| 589 | I | A | 0.0000 | |
| 590 | L | A | 0.0000 | |
| 591 | F | A | -1.9971 | |
| 592 | E | A | -3.1354 | |
| 593 | K | A | -3.0346 | |
| 594 | Q | A | -2.2077 | |
| 595 | G | A | -2.2906 | |
| 596 | I | A | 0.0000 | |
| 597 | K | A | -1.9511 | |
| 598 | P | A | -1.2059 | |
| 599 | L | A | -0.3113 | |
| 600 | K | A | -2.1552 | |
| 601 | K | A | -2.0860 | |
| 602 | T | A | -1.4447 | |
| 603 | P | A | -1.0938 | |
| 604 | G | A | -1.0082 | |
| 605 | G | A | -1.3226 | |
| 606 | A | A | -1.2532 | |
| 607 | P | A | -1.3961 | |
| 608 | S | A | 0.0000 | |
| 609 | T | A | -1.5147 | |
| 610 | S | A | -2.1768 | |
| 611 | E | A | -3.4121 | |
| 612 | E | A | -3.7810 | |
| 613 | V | A | 0.0000 | |
| 614 | L | A | 0.0000 | |
| 615 | E | A | -3.5438 | |
| 616 | E | A | -2.8934 | |
| 617 | L | A | 0.0000 | |
| 618 | A | A | 0.0000 | |
| 619 | L | A | -0.1729 | |
| 620 | D | A | -1.3903 | |
| 621 | Y | A | -0.7180 | |
| 622 | P | A | -0.6133 | |
| 623 | L | A | 0.0000 | |
| 624 | P | A | 0.0000 | |
| 625 | K | A | -2.3590 | |
| 626 | V | A | 0.0000 | |
| 627 | I | A | 0.0000 | |
| 628 | L | A | -2.2220 | |
| 629 | E | A | -2.3441 | |
| 630 | Y | A | -1.7566 | |
| 631 | R | A | -1.6393 | |
| 632 | G | A | -1.7214 | |
| 633 | L | A | 0.0000 | |
| 634 | A | A | -1.4370 | |
| 635 | K | A | -2.1940 | |
| 636 | L | A | 0.0000 | |
| 637 | K | A | -1.7589 | |
| 638 | S | A | -1.4094 | |
| 639 | T | A | -1.5445 | |
| 640 | Y | A | 0.0000 | |
| 641 | T | A | 0.0000 | |
| 642 | D | A | -1.5381 | |
| 643 | K | A | -1.3918 | |
| 644 | L | A | 0.0000 | |
| 645 | P | A | -0.1203 | |
| 646 | L | A | 1.1381 | |
| 647 | M | A | 0.2610 | |
| 648 | I | A | 0.2120 | |
| 649 | N | A | -0.5036 | |
| 650 | P | A | -0.9348 | |
| 651 | K | A | -1.9079 | |
| 652 | T | A | -1.1999 | |
| 653 | G | A | -0.8361 | |
| 654 | R | A | -0.8118 | |
| 655 | V | A | 0.0000 | |
| 656 | H | A | -0.8268 | |
| 657 | T | A | 0.0000 | |
| 658 | S | A | -0.9020 | |
| 659 | Y | A | 0.0000 | |
| 660 | H | A | -0.0306 | |
| 661 | Q | A | 0.0000 | |
| 662 | A | A | 0.4562 | |
| 663 | V | A | 1.3879 | |
| 664 | T | A | 0.8369 | |
| 665 | A | A | 0.6167 | |
| 666 | T | A | 0.0957 | |
| 667 | G | A | 0.0000 | |
| 668 | R | A | -0.1643 | |
| 669 | L | A | 0.0000 | |
| 670 | S | A | -0.0723 | |
| 671 | S | A | 0.0000 | |
| 672 | T | A | -1.3149 | |
| 673 | D | A | -2.1277 | |
| 674 | P | A | 0.0000 | |
| 675 | N | A | -1.2969 | |
| 676 | L | A | 0.0000 | |
| 677 | Q | A | -0.8636 | |
| 678 | N | A | -0.8431 | |
| 679 | I | A | 0.0000 | |
| 680 | P | A | -1.4121 | |
| 681 | V | A | -1.5291 | |
| 682 | R | A | -2.6271 | |
| 683 | N | A | -2.7240 | |
| 684 | E | A | -3.0652 | |
| 685 | E | A | 0.0000 | |
| 686 | G | A | 0.0000 | |
| 687 | R | A | -2.9203 | |
| 688 | R | A | -1.7611 | |
| 689 | I | A | 0.0000 | |
| 690 | R | A | 0.0000 | |
| 691 | Q | A | -1.3097 | |
| 692 | A | A | 0.0000 | |
| 693 | F | A | 0.0000 | |
| 694 | I | A | -0.7232 | |
| 695 | A | A | -1.3676 | |
| 696 | P | A | -1.5945 | |
| 697 | E | A | -3.0234 | |
| 698 | D | A | -3.6004 | |
| 699 | Y | A | -2.6577 | |
| 700 | V | A | 0.0000 | |
| 701 | I | A | 0.0000 | |
| 702 | V | A | 0.0000 | |
| 703 | S | A | 0.0000 | |
| 704 | A | A | 0.0000 | |
| 705 | D | A | -1.3724 | |
| 706 | Y | A | 0.0000 | |
| 707 | S | A | -0.7088 | |
| 708 | Q | A | -0.6201 | |
| 709 | I | A | 0.0000 | |
| 710 | E | A | -0.5747 | |
| 711 | L | A | 0.0000 | |
| 712 | R | A | 0.0000 | |
| 713 | I | A | 0.0000 | |
| 714 | M | A | 0.0000 | |
| 715 | A | A | 0.0000 | |
| 716 | H | A | 0.0000 | |
| 717 | L | A | -0.3862 | |
| 718 | S | A | 0.0000 | |
| 719 | R | A | -2.3793 | |
| 720 | D | A | 0.0000 | |
| 721 | K | A | -2.1901 | |
| 722 | G | A | -1.4842 | |
| 723 | L | A | 0.0000 | |
| 724 | L | A | -0.9182 | |
| 725 | T | A | -1.0767 | |
| 726 | A | A | 0.0000 | |
| 727 | F | A | 0.0000 | |
| 728 | A | A | -0.9869 | |
| 729 | E | A | -2.3488 | |
| 730 | G | A | -1.8728 | |
| 731 | K | A | -2.0952 | |
| 732 | D | A | -1.7633 | |
| 733 | I | A | 0.0000 | |
| 734 | H | A | 0.0000 | |
| 735 | R | A | -1.7806 | |
| 736 | A | A | 0.0000 | |
| 737 | T | A | 0.0000 | |
| 738 | A | A | 0.0000 | |
| 739 | A | A | -0.8008 | |
| 740 | E | A | -1.3956 | |
| 741 | V | A | 0.0000 | |
| 742 | F | A | -0.0105 | |
| 743 | G | A | -0.4889 | |
| 744 | L | A | -0.2240 | |
| 745 | P | A | -0.6634 | |
| 746 | L | A | -1.0054 | |
| 747 | E | A | -1.7269 | |
| 748 | T | A | -0.8971 | |
| 749 | V | A | 0.0000 | |
| 750 | T | A | -1.4500 | |
| 751 | S | A | -1.8474 | |
| 752 | E | A | -2.8293 | |
| 753 | Q | A | -2.1261 | |
| 754 | R | A | -2.6148 | |
| 755 | R | A | -2.6878 | |
| 756 | S | A | -1.8386 | |
| 757 | A | A | 0.0000 | |
| 758 | K | A | -1.6237 | |
| 759 | A | A | 0.0000 | |
| 760 | I | A | 0.0000 | |
| 761 | N | A | 0.0000 | |
| 762 | F | A | 0.3874 | |
| 763 | G | A | 0.0000 | |
| 764 | L | A | 0.0000 | |
| 765 | I | A | 0.0000 | |
| 766 | Y | A | 0.7063 | |
| 767 | G | A | 0.0000 | |
| 768 | M | A | 0.1650 | |
| 769 | S | A | -0.3722 | |
| 770 | A | A | -1.5637 | |
| 771 | F | A | -0.8911 | |
| 772 | G | A | -1.0371 | |
| 773 | L | A | 0.0000 | |
| 774 | A | A | 0.0000 | |
| 775 | R | A | -3.0992 | |
| 776 | Q | A | -2.4212 | |
| 777 | L | A | 0.0000 | |
| 778 | N | A | -2.5359 | |
| 779 | I | A | -1.6998 | |
| 780 | P | A | -2.1269 | |
| 781 | R | A | -3.4911 | |
| 782 | K | A | -3.4099 | |
| 783 | E | A | -2.8151 | |
| 784 | A | A | 0.0000 | |
| 785 | Q | A | -3.1294 | |
| 786 | K | A | -3.3916 | |
| 787 | Y | A | -1.9749 | |
| 788 | M | A | 0.0000 | |
| 789 | D | A | -2.9345 | |
| 790 | L | A | -2.0188 | |
| 791 | Y | A | 0.0000 | |
| 792 | F | A | -1.7436 | |
| 793 | E | A | -2.6559 | |
| 794 | R | A | -2.4183 | |
| 795 | Y | A | 0.0000 | |
| 796 | P | A | -1.7900 | |
| 797 | G | A | -1.7824 | |
| 798 | V | A | 0.0000 | |
| 799 | L | A | -1.3119 | |
| 800 | E | A | -2.6790 | |
| 801 | Y | A | 0.0000 | |
| 802 | M | A | -1.9877 | |
| 803 | E | A | -3.4072 | |
| 804 | R | A | -3.5512 | |
| 805 | T | A | 0.0000 | |
| 806 | R | A | -3.1455 | |
| 807 | A | A | -2.8442 | |
| 808 | Q | A | -2.9765 | |
| 809 | A | A | 0.0000 | |
| 810 | K | A | -3.4428 | |
| 811 | E | A | -3.4101 | |
| 812 | Q | A | -2.5287 | |
| 813 | G | A | -2.1440 | |
| 814 | Y | A | 0.0000 | |
| 815 | V | A | 0.0000 | |
| 816 | E | A | -0.6921 | |
| 817 | T | A | -0.2263 | |
| 818 | L | A | 0.0589 | |
| 819 | D | A | 0.0000 | |
| 820 | G | A | -0.6721 | |
| 821 | R | A | 0.0000 | |
| 822 | R | A | -0.4028 | |
| 823 | L | A | 0.0000 | |
| 824 | Y | A | -0.0917 | |
| 825 | L | A | 0.0000 | |
| 826 | P | A | -1.4649 | |
| 827 | D | A | -3.0523 | |
| 828 | I | A | 0.0000 | |
| 829 | K | A | -3.3738 | |
| 830 | S | A | -2.6783 | |
| 831 | S | A | -1.9375 | |
| 832 | N | A | -2.6203 | |
| 833 | G | A | -2.1645 | |
| 834 | A | A | -1.8231 | |
| 835 | R | A | -3.4713 | |
| 836 | R | A | -3.3380 | |
| 837 | A | A | -1.9495 | |
| 838 | A | A | -1.5356 | |
| 839 | A | A | 0.0000 | |
| 840 | E | A | -2.0206 | |
| 841 | R | A | -1.3153 | |
| 842 | A | A | -0.6203 | |
| 843 | A | A | 0.0000 | |
| 844 | I | A | 0.0000 | |
| 845 | N | A | -0.2298 | |
| 846 | A | A | 0.0000 | |
| 847 | P | A | 0.0000 | |
| 848 | M | A | 0.0000 | |
| 849 | Q | A | -0.3871 | |
| 850 | G | A | 0.0000 | |
| 851 | T | A | 0.0000 | |
| 852 | A | A | 0.0000 | |
| 853 | A | A | 0.0000 | |
| 854 | D | A | 0.0000 | |
| 855 | I | A | 0.0000 | |
| 856 | I | A | 0.0000 | |
| 857 | K | A | 0.0000 | |
| 858 | R | A | -0.3676 | |
| 859 | A | A | 0.0000 | |
| 860 | M | A | 0.0000 | |
| 861 | I | A | 0.0947 | |
| 862 | A | A | 0.2952 | |
| 863 | V | A | 0.0000 | |
| 864 | D | A | 0.0000 | |
| 865 | A | A | -0.4042 | |
| 866 | W | A | -0.7699 | |
| 867 | L | A | 0.0000 | |
| 868 | Q | A | -1.4870 | |
| 869 | A | A | -1.4422 | |
| 870 | E | A | -2.6822 | |
| 871 | Q | A | -2.6247 | |
| 872 | P | A | -2.0297 | |
| 873 | R | A | -2.3890 | |
| 874 | V | A | 0.0000 | |
| 875 | R | A | -1.0735 | |
| 876 | M | A | 0.0000 | |
| 877 | I | A | 0.0000 | |
| 878 | M | A | 0.0000 | |
| 879 | Q | A | 0.0000 | |
| 880 | V | A | 0.0000 | |
| 881 | H | A | -0.7008 | |
| 882 | D | A | -0.7898 | |
| 883 | E | A | 0.0000 | |
| 884 | L | A | 0.0000 | |
| 885 | V | A | 0.0000 | |
| 886 | F | A | 0.0000 | |
| 887 | E | A | 0.0000 | |
| 888 | V | A | 0.0000 | |
| 889 | H | A | -2.6754 | |
| 890 | K | A | -3.9421 | |
| 891 | D | A | -3.4178 | |
| 892 | D | A | -2.3447 | |
| 893 | V | A | -2.2485 | |
| 894 | D | A | -2.7603 | |
| 895 | A | A | -1.7115 | |
| 896 | V | A | 0.0000 | |
| 897 | A | A | -1.7916 | |
| 898 | K | A | -2.5295 | |
| 899 | Q | A | -1.7578 | |
| 900 | I | A | 0.0000 | |
| 901 | H | A | -1.7841 | |
| 902 | Q | A | -1.9555 | |
| 903 | L | A | -0.9329 | |
| 904 | M | A | 0.0000 | |
| 905 | E | A | -0.8137 | |
| 906 | N | A | -1.0562 | |
| 907 | C | A | 0.0373 | |
| 908 | T | A | 0.0000 | |
| 909 | R | A | -0.0913 | |
| 910 | L | A | 0.5438 | |
| 911 | D | A | -0.7453 | |
| 912 | V | A | 0.0000 | |
| 913 | P | A | 0.0121 | |
| 914 | L | A | 0.1196 | |
| 915 | L | A | -0.1919 | |
| 916 | V | A | 0.0000 | |
| 917 | E | A | -1.8295 | |
| 918 | V | A | -0.9486 | |
| 919 | G | A | -0.8959 | |
| 920 | S | A | -1.2771 | |
| 921 | G | A | -1.8039 | |
| 922 | E | A | -2.6841 | |
| 923 | N | A | 0.0000 | |
| 924 | W | A | 0.0000 | |
| 925 | D | A | 0.0000 | |
| 926 | Q | A | -2.2130 | |
| 927 | A | A | 0.0000 | |
| 928 | H | A | -1.7260 |
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 | -0.7963 | 1.9894 | View | CSV | PDB |
| 4.5 | -0.872 | 1.863 | View | CSV | PDB |
| 5.0 | -0.9658 | 1.6979 | View | CSV | PDB |
| 5.5 | -1.0589 | 1.6771 | View | CSV | PDB |
| 6.0 | -1.131 | 1.6953 | View | CSV | PDB |
| 6.5 | -1.1669 | 1.7278 | View | CSV | PDB |
| 7.0 | -1.1649 | 1.7715 | View | CSV | PDB |
| 7.5 | -1.1363 | 1.8206 | View | CSV | PDB |
| 8.0 | -1.0932 | 1.8797 | View | CSV | PDB |
| 8.5 | -1.0411 | 2.1686 | View | CSV | PDB |
| 9.0 | -0.9813 | 2.4665 | 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