| Chain sequence(s) |
A: MKIEEGKLVIWINGDKGYNGLAEVGKKFEKDTGIKVTVEHPDKLEEKFPQVAAATGDGPDIIFWAHDRFGGYAQSGLLAEITPDKAFQDKLYPFTWDAVRYNGKLIAYPIAVEALSLIYNKDLLPNPPKTWEEIPALDKELKAKGKSALMFNLQEPYFTWPLIAADGGYAFKYENGKYDIKDVGVDNAGAKAGLTFLVDLIKNKHMNADTDYSIAEAAFNKGETAMTINGPWAWSNIDTSKVNYGVTVLPTFKGQPSKPFVGVLSAGINAASPNKELAKEFLENYLLTDEGLEAVNKDKPLGAVALKSYEEELAKDPRIAATMENAQKGEIMPNIPQMSAFWYAVRTAVINAASGRQTVDEALKDAGSGSRMKQLEDKVEELLSKNYHLENEVARLKKLVGERYGRKKRRQRRRPKKKRKVAAAAAEAAAKEAAAKEAAAKMAAAQDLSAAAATALAPAAAPLPACPAPAAASAAALVPEQLSALAAALSLPGLNAAALPAAPSSAAPVAMATAYAPAAAPLSATPAAPEAAAKEAAAKEAAAKNREEENKRTHTAYTRHQLLELEKEFHFNRYLTRRRRIEIAHALCLTERQIKIWFQNRRMKWKKEHKLLASGLTGAEGDLHAAGLGPGAFGPAPVHVRPGPQAAAAA
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 partially or entirely disordered. Average score is
recommended for pH analysis. (00:00:05)
[INFO] FoldX: Starting FoldX energy minimization (00:00:05)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:27:34)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/fd6b3e6d7c4272/tmp/folded.pdb (00:27:34)
[INFO] Main: Simulation completed successfully. (00:37:29)
|
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 | -0.0654 | |
| 2 | K | A | -1.8365 | |
| 3 | I | A | -1.8284 | |
| 4 | E | A | -3.1936 | |
| 5 | E | A | -3.2056 | |
| 6 | G | A | -2.1433 | |
| 7 | K | A | -2.1346 | |
| 8 | L | A | 0.0000 | |
| 9 | V | A | 0.0000 | |
| 10 | I | A | 0.0000 | |
| 11 | W | A | 0.0000 | |
| 12 | I | A | 0.0000 | |
| 13 | N | A | -1.6594 | |
| 14 | G | A | -1.9603 | |
| 15 | D | A | -1.9935 | |
| 16 | K | A | -1.6251 | |
| 17 | G | A | 0.0000 | |
| 18 | Y | A | -1.2949 | |
| 19 | N | A | -1.8890 | |
| 20 | G | A | 0.0000 | |
| 21 | L | A | 0.0000 | |
| 22 | A | A | -1.3875 | |
| 23 | E | A | -2.3720 | |
| 24 | V | A | 0.0000 | |
| 25 | G | A | 0.0000 | |
| 26 | K | A | -3.6140 | |
| 27 | K | A | -3.4501 | |
| 28 | F | A | 0.0000 | |
| 29 | E | A | -3.4201 | |
| 30 | K | A | -3.8511 | |
| 31 | D | A | -3.3056 | |
| 32 | T | A | -2.1451 | |
| 33 | G | A | -2.2232 | |
| 34 | I | A | -1.9223 | |
| 35 | K | A | -2.3248 | |
| 36 | V | A | -1.4087 | |
| 37 | T | A | -0.6336 | |
| 38 | V | A | -0.5839 | |
| 39 | E | A | -1.2744 | |
| 40 | H | A | -1.8516 | |
| 41 | P | A | -1.8543 | |
| 42 | D | A | -2.8645 | |
| 43 | K | A | -2.3691 | |
| 44 | L | A | 0.0000 | |
| 45 | E | A | -2.0049 | |
| 46 | E | A | -2.8083 | |
| 47 | K | A | -2.4079 | |
| 48 | F | A | 0.0000 | |
| 49 | P | A | -1.3053 | |
| 50 | Q | A | -1.7084 | |
| 51 | V | A | -0.7538 | |
| 52 | A | A | 0.0000 | |
| 53 | A | A | -0.4476 | |
| 54 | A | A | -0.2340 | |
| 55 | T | A | -0.3258 | |
| 56 | G | A | -0.3655 | |
| 57 | D | A | 0.0000 | |
| 58 | G | A | 0.0000 | |
| 59 | P | A | 0.0000 | |
| 60 | D | A | 0.0000 | |
| 61 | I | A | 0.0000 | |
| 62 | I | A | 0.0000 | |
| 63 | F | A | 0.0000 | |
| 64 | W | A | -0.1402 | |
| 65 | A | A | -0.2860 | |
| 66 | H | A | 0.0000 | |
| 67 | D | A | -0.4691 | |
| 68 | R | A | -1.0043 | |
| 69 | F | A | 0.0000 | |
| 70 | G | A | 0.0000 | |
| 71 | G | A | -0.9999 | |
| 72 | Y | A | 0.0000 | |
| 73 | A | A | -1.5899 | |
| 74 | Q | A | -1.6375 | |
| 75 | S | A | -1.0562 | |
| 76 | G | A | -1.1612 | |
| 77 | L | A | 0.0000 | |
| 78 | L | A | 0.0000 | |
| 79 | A | A | -1.1943 | |
| 80 | E | A | -2.3624 | |
| 81 | I | A | 0.0000 | |
| 82 | T | A | -1.4759 | |
| 83 | P | A | 0.0000 | |
| 84 | D | A | -2.8774 | |
| 85 | K | A | -3.1957 | |
| 86 | A | A | -2.1571 | |
| 87 | F | A | 0.0000 | |
| 88 | Q | A | -2.4179 | |
| 89 | D | A | -2.8921 | |
| 90 | K | A | -2.2805 | |
| 91 | L | A | 0.0000 | |
| 92 | Y | A | -0.8472 | |
| 93 | P | A | -0.8707 | |
| 94 | F | A | -0.6086 | |
| 95 | T | A | 0.0000 | |
| 96 | W | A | 0.0000 | |
| 97 | D | A | -2.0638 | |
| 98 | A | A | 0.0000 | |
| 99 | V | A | 0.0000 | |
| 100 | R | A | -2.8378 | |
| 101 | Y | A | -2.4932 | |
| 102 | N | A | -2.7817 | |
| 103 | G | A | -2.6185 | |
| 104 | K | A | -2.9015 | |
| 105 | L | A | 0.0000 | |
| 106 | I | A | 0.0000 | |
| 107 | A | A | 0.0000 | |
| 108 | Y | A | 0.0000 | |
| 109 | P | A | 0.0000 | |
| 110 | I | A | 0.0000 | |
| 111 | A | A | 0.0000 | |
| 112 | V | A | 0.0000 | |
| 113 | E | A | -0.6784 | |
| 114 | A | A | 0.0000 | |
| 115 | L | A | 0.0000 | |
| 116 | S | A | 0.0000 | |
| 117 | L | A | 0.0000 | |
| 118 | I | A | 0.0000 | |
| 119 | Y | A | -0.7383 | |
| 120 | N | A | 0.0000 | |
| 121 | K | A | -2.5783 | |
| 122 | D | A | -2.6287 | |
| 123 | L | A | -1.7159 | |
| 124 | L | A | 0.0000 | |
| 125 | P | A | -1.6962 | |
| 126 | N | A | -2.0008 | |
| 127 | P | A | -1.3474 | |
| 128 | P | A | 0.0000 | |
| 129 | K | A | -2.2249 | |
| 130 | T | A | -1.9545 | |
| 131 | W | A | 0.0000 | |
| 132 | E | A | -1.9292 | |
| 133 | E | A | -1.8622 | |
| 134 | I | A | 0.0000 | |
| 135 | P | A | -1.5594 | |
| 136 | A | A | -1.3695 | |
| 137 | L | A | -1.6070 | |
| 138 | D | A | 0.0000 | |
| 139 | K | A | -3.5538 | |
| 140 | E | A | -3.5396 | |
| 141 | L | A | 0.0000 | |
| 142 | K | A | -3.8340 | |
| 143 | A | A | -2.8128 | |
| 144 | K | A | -3.3655 | |
| 145 | G | A | -2.8622 | |
| 146 | K | A | -2.9468 | |
| 147 | S | A | -2.0148 | |
| 148 | A | A | 0.0000 | |
| 149 | L | A | 0.0000 | |
| 150 | M | A | -0.2290 | |
| 151 | F | A | 0.0000 | |
| 152 | N | A | -0.5037 | |
| 153 | L | A | 0.0000 | |
| 154 | Q | A | -1.0137 | |
| 155 | E | A | -0.5128 | |
| 156 | P | A | 0.0000 | |
| 157 | Y | A | -0.0592 | |
| 158 | F | A | 0.0000 | |
| 159 | T | A | 0.0000 | |
| 160 | W | A | 0.0000 | |
| 161 | P | A | 0.0000 | |
| 162 | L | A | 0.0000 | |
| 163 | I | A | 0.0000 | |
| 164 | A | A | 0.0000 | |
| 165 | A | A | 0.0000 | |
| 166 | D | A | -1.6211 | |
| 167 | G | A | -0.9275 | |
| 168 | G | A | 0.0000 | |
| 169 | Y | A | -0.2327 | |
| 170 | A | A | 0.0000 | |
| 171 | F | A | 0.0000 | |
| 172 | K | A | -2.0132 | |
| 173 | Y | A | -1.6576 | |
| 174 | E | A | -3.1826 | |
| 175 | N | A | -3.1126 | |
| 176 | G | A | -3.2264 | |
| 177 | K | A | -3.3932 | |
| 178 | Y | A | -2.2344 | |
| 179 | D | A | -2.7023 | |
| 180 | I | A | -1.4373 | |
| 181 | K | A | -2.4646 | |
| 182 | D | A | -1.6802 | |
| 183 | V | A | -1.0017 | |
| 184 | G | A | 0.0000 | |
| 185 | V | A | 0.0000 | |
| 186 | D | A | -2.3014 | |
| 187 | N | A | -1.3254 | |
| 188 | A | A | -0.7603 | |
| 189 | G | A | 0.0000 | |
| 190 | A | A | 0.0000 | |
| 191 | K | A | -1.2096 | |
| 192 | A | A | -0.6387 | |
| 193 | G | A | 0.0000 | |
| 194 | L | A | 0.0000 | |
| 195 | T | A | -0.4300 | |
| 196 | F | A | -0.4471 | |
| 197 | L | A | 0.0000 | |
| 198 | V | A | 0.0000 | |
| 199 | D | A | -2.1866 | |
| 200 | L | A | 0.0000 | |
| 201 | I | A | 0.0000 | |
| 202 | K | A | -3.4948 | |
| 203 | N | A | -3.3826 | |
| 204 | K | A | -3.4965 | |
| 205 | H | A | 0.0000 | |
| 206 | M | A | 0.0000 | |
| 207 | N | A | -2.7033 | |
| 208 | A | A | -2.1184 | |
| 209 | D | A | -2.2286 | |
| 210 | T | A | 0.0000 | |
| 211 | D | A | -0.9792 | |
| 212 | Y | A | -0.0904 | |
| 213 | S | A | 0.1949 | |
| 214 | I | A | 0.5576 | |
| 215 | A | A | 0.0000 | |
| 216 | E | A | -0.5035 | |
| 217 | A | A | -0.7044 | |
| 218 | A | A | -1.1190 | |
| 219 | F | A | 0.0000 | |
| 220 | N | A | -2.2260 | |
| 221 | K | A | -2.6192 | |
| 222 | G | A | -2.4267 | |
| 223 | E | A | -2.9607 | |
| 224 | T | A | 0.0000 | |
| 225 | A | A | 0.0000 | |
| 226 | M | A | 0.0000 | |
| 227 | T | A | 0.0000 | |
| 228 | I | A | 0.0000 | |
| 229 | N | A | 0.0000 | |
| 230 | G | A | 0.0000 | |
| 231 | P | A | -0.0960 | |
| 232 | W | A | -0.0080 | |
| 233 | A | A | 0.0000 | |
| 234 | W | A | 0.0000 | |
| 235 | S | A | -1.4375 | |
| 236 | N | A | -1.9015 | |
| 237 | I | A | 0.0000 | |
| 238 | D | A | -2.8891 | |
| 239 | T | A | -1.8737 | |
| 240 | S | A | -2.2426 | |
| 241 | K | A | -2.9449 | |
| 242 | V | A | -2.5500 | |
| 243 | N | A | -2.5899 | |
| 244 | Y | A | -1.6330 | |
| 245 | G | A | -0.7957 | |
| 246 | V | A | 0.0000 | |
| 247 | T | A | -0.3671 | |
| 248 | V | A | -0.4075 | |
| 249 | L | A | 0.0000 | |
| 250 | P | A | 0.0000 | |
| 251 | T | A | -1.4718 | |
| 252 | F | A | 0.0000 | |
| 253 | K | A | -2.4470 | |
| 254 | G | A | -2.0286 | |
| 255 | Q | A | -1.8387 | |
| 256 | P | A | -1.3404 | |
| 257 | S | A | 0.0000 | |
| 258 | K | A | -1.0273 | |
| 259 | P | A | 0.0000 | |
| 260 | F | A | 0.0000 | |
| 261 | V | A | 0.0000 | |
| 262 | G | A | 0.0000 | |
| 263 | V | A | 0.0000 | |
| 264 | L | A | 0.0000 | |
| 265 | S | A | 0.0000 | |
| 266 | A | A | 0.0000 | |
| 267 | G | A | 0.0000 | |
| 268 | I | A | 0.0000 | |
| 269 | N | A | 0.0000 | |
| 270 | A | A | -0.5004 | |
| 271 | A | A | -0.1437 | |
| 272 | S | A | 0.0000 | |
| 273 | P | A | -1.4450 | |
| 274 | N | A | 0.0000 | |
| 275 | K | A | -2.1634 | |
| 276 | E | A | -2.6499 | |
| 277 | L | A | -1.9012 | |
| 278 | A | A | 0.0000 | |
| 279 | K | A | -2.4689 | |
| 280 | E | A | -2.7357 | |
| 281 | F | A | 0.0000 | |
| 282 | L | A | 0.0000 | |
| 283 | E | A | -1.5407 | |
| 284 | N | A | -1.8803 | |
| 285 | Y | A | -1.4830 | |
| 286 | L | A | 0.0000 | |
| 287 | L | A | 0.0000 | |
| 288 | T | A | -1.7588 | |
| 289 | D | A | -2.4373 | |
| 290 | E | A | -2.6379 | |
| 291 | G | A | 0.0000 | |
| 292 | L | A | 0.0000 | |
| 293 | E | A | -2.8730 | |
| 294 | A | A | -2.4695 | |
| 295 | V | A | 0.0000 | |
| 296 | N | A | -2.3061 | |
| 297 | K | A | -2.9032 | |
| 298 | D | A | -2.8610 | |
| 299 | K | A | -2.4852 | |
| 300 | P | A | -1.5898 | |
| 301 | L | A | -0.9751 | |
| 302 | G | A | 0.0000 | |
| 303 | A | A | 0.0000 | |
| 304 | V | A | 0.0000 | |
| 305 | A | A | 0.0000 | |
| 306 | L | A | 0.0000 | |
| 307 | K | A | -1.9670 | |
| 308 | S | A | -1.8516 | |
| 309 | Y | A | 0.0000 | |
| 310 | E | A | 0.0000 | |
| 311 | E | A | -3.2769 | |
| 312 | E | A | -3.5108 | |
| 313 | L | A | -2.2334 | |
| 314 | A | A | -2.1749 | |
| 315 | K | A | -2.8510 | |
| 316 | D | A | -1.9241 | |
| 317 | P | A | -1.1181 | |
| 318 | R | A | -1.0455 | |
| 319 | I | A | 0.0000 | |
| 320 | A | A | -1.2669 | |
| 321 | A | A | 0.0000 | |
| 322 | T | A | 0.0000 | |
| 323 | M | A | -1.3869 | |
| 324 | E | A | -2.3416 | |
| 325 | N | A | 0.0000 | |
| 326 | A | A | 0.0000 | |
| 327 | Q | A | -2.2676 | |
| 328 | K | A | -2.1757 | |
| 329 | G | A | -1.4166 | |
| 330 | E | A | -0.5704 | |
| 331 | I | A | -0.4693 | |
| 332 | M | A | 0.0000 | |
| 333 | P | A | 0.0000 | |
| 334 | N | A | 0.0000 | |
| 335 | I | A | 0.0000 | |
| 336 | P | A | -0.6378 | |
| 337 | Q | A | -0.3392 | |
| 338 | M | A | 0.0000 | |
| 339 | S | A | -0.0596 | |
| 340 | A | A | -0.6635 | |
| 341 | F | A | 0.0000 | |
| 342 | W | A | 0.2270 | |
| 343 | Y | A | 0.3616 | |
| 344 | A | A | 0.0000 | |
| 345 | V | A | 0.0000 | |
| 346 | R | A | -0.3841 | |
| 347 | T | A | -0.3642 | |
| 348 | A | A | 0.0000 | |
| 349 | V | A | 0.0000 | |
| 350 | I | A | -0.7390 | |
| 351 | N | A | -1.2594 | |
| 352 | A | A | 0.0000 | |
| 353 | A | A | 0.0000 | |
| 354 | S | A | -1.6595 | |
| 355 | G | A | -1.7563 | |
| 356 | R | A | -2.4271 | |
| 357 | Q | A | -2.1349 | |
| 358 | T | A | -1.6987 | |
| 359 | V | A | -1.8335 | |
| 360 | D | A | -2.8482 | |
| 361 | E | A | -3.2289 | |
| 362 | A | A | 0.0000 | |
| 363 | L | A | 0.0000 | |
| 364 | K | A | -3.7164 | |
| 365 | D | A | -3.7074 | |
| 366 | A | A | 0.0000 | |
| 367 | G | A | -2.3645 | |
| 368 | S | A | -2.4552 | |
| 369 | G | A | -2.6518 | |
| 370 | S | A | -2.7475 | |
| 371 | R | A | -3.6000 | |
| 372 | M | A | 0.0000 | |
| 373 | K | A | -4.1132 | |
| 374 | Q | A | -4.0178 | |
| 375 | L | A | -3.0305 | |
| 376 | E | A | -3.4687 | |
| 377 | D | A | -3.9484 | |
| 378 | K | A | -3.6000 | |
| 379 | V | A | -1.8087 | |
| 380 | E | A | -3.1170 | |
| 381 | E | A | -3.1656 | |
| 382 | L | A | -1.0089 | |
| 383 | L | A | -0.3538 | |
| 384 | S | A | -1.3802 | |
| 385 | K | A | -2.2787 | |
| 386 | N | A | -1.0070 | |
| 387 | Y | A | -0.5661 | |
| 388 | H | A | -1.7958 | |
| 389 | L | A | -1.2255 | |
| 390 | E | A | -2.3881 | |
| 391 | N | A | -2.8339 | |
| 392 | E | A | -2.7117 | |
| 393 | V | A | -1.4031 | |
| 394 | A | A | -2.2790 | |
| 395 | R | A | -3.2856 | |
| 396 | L | A | -1.7280 | |
| 397 | K | A | -2.8448 | |
| 398 | K | A | -3.2053 | |
| 399 | L | A | -1.9172 | |
| 400 | V | A | -1.2144 | |
| 401 | G | A | -2.4704 | |
| 402 | E | A | -3.7413 | |
| 403 | R | A | -3.8673 | |
| 404 | Y | A | -2.5368 | |
| 405 | G | A | -3.8799 | |
| 406 | R | A | -5.8918 | |
| 407 | K | A | -6.0961 | |
| 408 | K | A | -6.1566 | |
| 409 | R | A | -6.9857 | |
| 410 | R | A | -7.2097 | |
| 411 | Q | A | -6.1538 | |
| 412 | R | A | -6.6026 | |
| 413 | R | A | -6.4300 | |
| 414 | R | A | -6.1605 | |
| 415 | P | A | -4.5350 | |
| 416 | K | A | -4.9266 | |
| 417 | K | A | -4.3802 | |
| 418 | K | A | -4.1665 | |
| 419 | R | A | -4.6064 | |
| 420 | K | A | -3.7891 | |
| 421 | V | A | -1.5787 | |
| 422 | A | A | -1.4726 | |
| 423 | A | A | -1.8425 | |
| 424 | A | A | -1.4559 | |
| 425 | A | A | -1.0671 | |
| 426 | A | A | -1.3384 | |
| 427 | E | A | -2.4646 | |
| 428 | A | A | -1.6816 | |
| 429 | A | A | -1.5837 | |
| 430 | A | A | -2.0677 | |
| 431 | K | A | -3.4300 | |
| 432 | E | A | -3.5414 | |
| 433 | A | A | -2.5953 | |
| 434 | A | A | -2.6271 | |
| 435 | A | A | -2.5085 | |
| 436 | K | A | -3.3757 | |
| 437 | E | A | -3.3389 | |
| 438 | A | A | -1.9981 | |
| 439 | A | A | -1.5016 | |
| 440 | A | A | -1.6544 | |
| 441 | K | A | -2.2641 | |
| 442 | M | A | -0.5878 | |
| 443 | A | A | -0.9653 | |
| 444 | A | A | -0.9825 | |
| 445 | A | A | -0.6705 | |
| 446 | Q | A | -1.5032 | |
| 447 | D | A | -1.6464 | |
| 448 | L | A | 0.4303 | |
| 449 | S | A | -0.0811 | |
| 450 | A | A | -0.0824 | |
| 451 | A | A | 0.2340 | |
| 452 | A | A | 0.0893 | |
| 453 | A | A | 0.0759 | |
| 454 | T | A | 0.3125 | |
| 455 | A | A | 0.8366 | |
| 456 | L | A | 1.5436 | |
| 457 | A | A | 0.6995 | |
| 458 | P | A | 0.1004 | |
| 459 | A | A | -0.0107 | |
| 460 | A | A | 0.0178 | |
| 461 | A | A | 0.2778 | |
| 462 | P | A | 0.4556 | |
| 463 | L | A | 1.3179 | |
| 464 | P | A | 0.6943 | |
| 465 | A | A | 0.5599 | |
| 466 | C | A | 0.5860 | |
| 467 | P | A | 0.1244 | |
| 468 | A | A | -0.0275 | |
| 469 | P | A | -0.2380 | |
| 470 | A | A | -0.0138 | |
| 471 | A | A | 0.0255 | |
| 472 | A | A | 0.0045 | |
| 473 | S | A | -0.1321 | |
| 474 | A | A | 0.0047 | |
| 475 | A | A | 0.3698 | |
| 476 | A | A | 1.2006 | |
| 477 | L | A | 2.3742 | |
| 478 | V | A | 2.0188 | |
| 479 | P | A | -0.1825 | |
| 480 | E | A | -1.8774 | |
| 481 | Q | A | -1.4099 | |
| 482 | L | A | 0.4966 | |
| 483 | S | A | 0.6862 | |
| 484 | A | A | 1.0802 | |
| 485 | L | A | 1.5836 | |
| 486 | A | A | 0.9145 | |
| 487 | A | A | 0.7906 | |
| 488 | A | A | 1.1872 | |
| 489 | L | A | 1.7969 | |
| 490 | S | A | 1.2788 | |
| 491 | L | A | 1.5571 | |
| 492 | P | A | 0.5533 | |
| 493 | G | A | 0.2274 | |
| 494 | L | A | 0.6339 | |
| 495 | N | A | -0.5482 | |
| 496 | A | A | -0.2422 | |
| 497 | A | A | 0.1692 | |
| 498 | A | A | 0.8127 | |
| 499 | L | A | 1.4704 | |
| 500 | P | A | 0.5783 | |
| 501 | A | A | 0.2089 | |
| 502 | A | A | -0.1229 | |
| 503 | P | A | -0.3612 | |
| 504 | S | A | -0.4213 | |
| 505 | S | A | -0.3275 | |
| 506 | A | A | -0.1235 | |
| 507 | A | A | 0.2866 | |
| 508 | P | A | 0.7144 | |
| 509 | V | A | 1.9093 | |
| 510 | A | A | 1.4942 | |
| 511 | M | A | 1.4777 | |
| 512 | A | A | 0.6013 | |
| 513 | T | A | 0.4896 | |
| 514 | A | A | 0.7170 | |
| 515 | Y | A | 1.3044 | |
| 516 | A | A | 0.5824 | |
| 517 | P | A | 0.0942 | |
| 518 | A | A | -0.0132 | |
| 519 | A | A | 0.0128 | |
| 520 | A | A | 0.2787 | |
| 521 | P | A | 0.4979 | |
| 522 | L | A | 1.3375 | |
| 523 | S | A | 0.5364 | |
| 524 | A | A | 0.1812 | |
| 525 | T | A | -0.1911 | |
| 526 | P | A | -0.4857 | |
| 527 | A | A | -0.6456 | |
| 528 | A | A | -0.5761 | |
| 529 | P | A | -1.4729 | |
| 530 | E | A | -2.6031 | |
| 531 | A | A | -1.9763 | |
| 532 | A | A | -1.8851 | |
| 533 | A | A | -2.3932 | |
| 534 | K | A | -3.5120 | |
| 535 | E | A | -3.5985 | |
| 536 | A | A | -2.6335 | |
| 537 | A | A | -2.6726 | |
| 538 | A | A | -2.8279 | |
| 539 | K | A | -3.8713 | |
| 540 | E | A | -4.1265 | |
| 541 | A | A | -3.4315 | |
| 542 | A | A | -3.5881 | |
| 543 | A | A | -4.0164 | |
| 544 | K | A | -5.3582 | |
| 545 | N | A | -5.6922 | |
| 546 | R | A | -6.0739 | |
| 547 | E | A | -6.2054 | |
| 548 | E | A | -6.3731 | |
| 549 | E | A | -6.2741 | |
| 550 | N | A | -5.9105 | |
| 551 | K | A | -5.2767 | |
| 552 | R | A | -4.0156 | |
| 553 | T | A | -2.8018 | |
| 554 | H | A | -2.1329 | |
| 555 | T | A | -0.9211 | |
| 556 | A | A | -0.3282 | |
| 557 | Y | A | -0.2883 | |
| 558 | T | A | -1.0514 | |
| 559 | R | A | -2.1607 | |
| 560 | H | A | -1.8851 | |
| 561 | Q | A | -1.1189 | |
| 562 | L | A | -0.8223 | |
| 563 | L | A | -1.1681 | |
| 564 | E | A | -1.9290 | |
| 565 | L | A | 0.0000 | |
| 566 | E | A | -1.4471 | |
| 567 | K | A | -1.7494 | |
| 568 | E | A | 0.0000 | |
| 569 | F | A | 0.0000 | |
| 570 | H | A | -0.9743 | |
| 571 | F | A | 0.7716 | |
| 572 | N | A | -0.2471 | |
| 573 | R | A | -0.6212 | |
| 574 | Y | A | 0.1315 | |
| 575 | L | A | 0.0000 | |
| 576 | T | A | -1.8985 | |
| 577 | R | A | -3.2908 | |
| 578 | R | A | -3.5343 | |
| 579 | R | A | -3.0468 | |
| 580 | R | A | -2.8652 | |
| 581 | I | A | -2.4716 | |
| 582 | E | A | -2.7204 | |
| 583 | I | A | 0.0000 | |
| 584 | A | A | 0.0000 | |
| 585 | H | A | -1.2498 | |
| 586 | A | A | -0.5706 | |
| 587 | L | A | -0.2247 | |
| 588 | C | A | 0.2684 | |
| 589 | L | A | -0.3150 | |
| 590 | T | A | -0.9985 | |
| 591 | E | A | -2.2428 | |
| 592 | R | A | -2.2965 | |
| 593 | Q | A | -1.3588 | |
| 594 | I | A | 0.0000 | |
| 595 | K | A | -1.8500 | |
| 596 | I | A | -0.7825 | |
| 597 | W | A | -0.7584 | |
| 598 | F | A | 0.0000 | |
| 599 | Q | A | -1.4375 | |
| 600 | N | A | -1.5185 | |
| 601 | R | A | -1.5901 | |
| 602 | R | A | -1.3775 | |
| 603 | M | A | -1.3788 | |
| 604 | K | A | -2.3521 | |
| 605 | W | A | -2.0635 | |
| 606 | K | A | -2.3215 | |
| 607 | K | A | -2.3134 | |
| 608 | E | A | -2.1470 | |
| 609 | H | A | -1.6320 | |
| 610 | K | A | -1.6130 | |
| 611 | L | A | 0.4342 | |
| 612 | L | A | 0.9700 | |
| 613 | A | A | 0.2045 | |
| 614 | S | A | 0.1821 | |
| 615 | G | A | 0.7883 | |
| 616 | L | A | 1.5042 | |
| 617 | T | A | 0.0786 | |
| 618 | G | A | -0.7970 | |
| 619 | A | A | -1.0647 | |
| 620 | E | A | -2.5288 | |
| 621 | G | A | -2.1342 | |
| 622 | D | A | -1.9251 | |
| 623 | L | A | 0.1213 | |
| 624 | H | A | -0.7695 | |
| 625 | A | A | -0.1799 | |
| 626 | A | A | 0.1410 | |
| 627 | G | A | 0.2755 | |
| 628 | L | A | 1.0425 | |
| 629 | G | A | -0.0266 | |
| 630 | P | A | -0.4086 | |
| 631 | G | A | -0.2591 | |
| 632 | A | A | 0.6490 | |
| 633 | F | A | 1.5929 | |
| 634 | G | A | 0.3649 | |
| 635 | P | A | -0.1113 | |
| 636 | A | A | 0.0481 | |
| 637 | P | A | 0.3669 | |
| 638 | V | A | 1.5186 | |
| 639 | H | A | 0.3900 | |
| 640 | V | A | 0.6781 | |
| 641 | R | A | -1.4442 | |
| 642 | P | A | -1.1721 | |
| 643 | G | A | -1.3805 | |
| 644 | P | A | -1.1129 | |
| 645 | Q | A | -1.3768 | |
| 646 | A | A | -0.5769 | |
| 647 | A | A | -0.1216 | |
| 648 | A | A | 0.1425 | |
| 649 | A | A | 0.1206 | |
| 650 | A | A | -0.2285 |
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 partially or entirely disordered. Average score is recommended for pH analysis.
pH |
Average A4D Score |
Max A4D Score |
|||
| 4.0 | -1.067 | 4.9305 | View | CSV | PDB |
| 4.5 | -1.142 | 4.9305 | View | CSV | PDB |
| 5.0 | -1.2369 | 4.9305 | View | CSV | PDB |
| 5.5 | -1.3276 | 4.9305 | View | CSV | PDB |
| 6.0 | -1.3875 | 4.9305 | View | CSV | PDB |
| 6.5 | -1.3982 | 4.9305 | View | CSV | PDB |
| 7.0 | -1.3586 | 4.9305 | View | CSV | PDB |
| 7.5 | -1.2833 | 4.9305 | View | CSV | PDB |
| 8.0 | -1.1888 | 4.9305 | View | CSV | PDB |
| 8.5 | -1.0836 | 4.9305 | View | CSV | PDB |
| 9.0 | -0.9702 | 4.9305 | 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