| Chain sequence(s) |
A: MDSDAAPSVTPGAVAFVLENASPDAATGVPVPEIVLQVVDLKPIGTRFTFLASDGKDKIKTMLLTQLAPEVRSGNIQNLGVIRVLDYTCNTIGEKQEKVLIITKLEVVFKALDSEIKCEAEKQEEKPAILLSPKEESVVLSKPTNAPPLPPVVLKPKQEVKSASQIVNEQRGNAAPAARLAMTRRVHPLISLNPYQGNWIIKVRVTSKGNLRTYKNARGEGCVFNVELTDVDGTQIQATMFNEAAKKFYPMFELGKVYYISKGSLRVANKQFKTVHNDYEMTLNENAVVEEAEGETFIPQIQYNFVKIDQLGPYVGGRELVDVIGVVQSVSPTLSVRRKIDNETIPKRDIVVADDSSKTVTISLWNDLATTTGQELLDMVDSAPIIAIKSLKVSDFQGLSLSTVGRSTIVVNPDLPEAEQLRAWYDSEGKGTSMASIGSDMGASRVGGARSMYSDRVFLSHITSDPNLGQDKPVFFSLNAYISLIKPDQTMWYRACKTCNKKVTEAIGSGYWCEGCQKNDAECSLRYIMVIKVSDPTGEAWLSLFNDQAERIVGCSADELDRIRKEEGDDSYLLKLKEATWVPHLFRVSVTQNEYMNEKRQRITVRSEAPVDHAAEAKYMLEEIAKLTGC
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 (00:00:01)
[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. (00:00:02)
[INFO] FoldX: Starting FoldX energy minimization (00:00:02)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:08:33)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/2e5a91362e2f5d/tmp/folded.pdb (00:08:33)
[INFO] Main: Simulation completed successfully. (00:11:16)
|
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 | -0.0584 | |
| 2 | D | A | -1.8148 | |
| 3 | S | A | -1.6797 | |
| 4 | D | A | -2.1990 | |
| 5 | A | A | -1.1517 | |
| 6 | A | A | -0.4273 | |
| 7 | P | A | -0.1783 | |
| 8 | S | A | -0.1080 | |
| 9 | V | A | -0.4640 | |
| 10 | T | A | -0.6500 | |
| 11 | P | A | -0.7901 | |
| 12 | G | A | -0.6959 | |
| 13 | A | A | 0.0000 | |
| 14 | V | A | 0.0000 | |
| 15 | A | A | -0.7333 | |
| 16 | F | A | 0.0102 | |
| 17 | V | A | 0.0000 | |
| 18 | L | A | -0.5952 | |
| 19 | E | A | -1.5819 | |
| 20 | N | A | -1.0120 | |
| 21 | A | A | -0.9759 | |
| 22 | S | A | -1.0959 | |
| 23 | P | A | -0.4556 | |
| 24 | D | A | -1.5572 | |
| 25 | A | A | -0.4384 | |
| 26 | A | A | -0.4199 | |
| 27 | T | A | 0.0279 | |
| 28 | G | A | 0.3144 | |
| 29 | V | A | 1.6613 | |
| 30 | P | A | 1.0752 | |
| 31 | V | A | 1.4610 | |
| 32 | P | A | 0.0675 | |
| 33 | E | A | -1.4319 | |
| 34 | I | A | 0.0000 | |
| 35 | V | A | 0.0000 | |
| 36 | L | A | 0.0000 | |
| 37 | Q | A | -0.1640 | |
| 38 | V | A | 0.0000 | |
| 39 | V | A | -0.5200 | |
| 40 | D | A | -1.4003 | |
| 41 | L | A | -0.9616 | |
| 42 | K | A | -1.5403 | |
| 43 | P | A | -0.4439 | |
| 44 | I | A | 0.5013 | |
| 45 | G | A | -0.2005 | |
| 46 | T | A | -0.1162 | |
| 47 | R | A | -0.3136 | |
| 48 | F | A | -0.0010 | |
| 49 | T | A | 0.0000 | |
| 50 | F | A | 0.0000 | |
| 51 | L | A | -0.8623 | |
| 52 | A | A | 0.0000 | |
| 53 | S | A | 0.0000 | |
| 54 | D | A | 0.0000 | |
| 55 | G | A | -1.9205 | |
| 56 | K | A | -2.8234 | |
| 57 | D | A | -2.8076 | |
| 58 | K | A | -2.6172 | |
| 59 | I | A | 0.0000 | |
| 60 | K | A | -1.2359 | |
| 61 | T | A | 0.0000 | |
| 62 | M | A | 0.2615 | |
| 63 | L | A | 0.0000 | |
| 64 | L | A | -0.0908 | |
| 65 | T | A | -0.4871 | |
| 66 | Q | A | -1.3589 | |
| 67 | L | A | -0.9912 | |
| 68 | A | A | -1.0663 | |
| 69 | P | A | -1.4645 | |
| 70 | E | A | -1.6423 | |
| 71 | V | A | 0.0000 | |
| 72 | R | A | -2.3544 | |
| 73 | S | A | -1.5973 | |
| 74 | G | A | -1.6574 | |
| 75 | N | A | -1.4768 | |
| 76 | I | A | 0.0000 | |
| 77 | Q | A | -1.2284 | |
| 78 | N | A | -1.1556 | |
| 79 | L | A | 0.4330 | |
| 80 | G | A | 0.0000 | |
| 81 | V | A | 0.0000 | |
| 82 | I | A | 0.0000 | |
| 83 | R | A | -1.2532 | |
| 84 | V | A | 0.0000 | |
| 85 | L | A | -0.2871 | |
| 86 | D | A | -0.7523 | |
| 87 | Y | A | 0.0000 | |
| 88 | T | A | -0.4126 | |
| 89 | C | A | -0.5658 | |
| 90 | N | A | -0.9456 | |
| 91 | T | A | -1.3819 | |
| 92 | I | A | -0.6333 | |
| 93 | G | A | -1.9216 | |
| 94 | E | A | -3.0934 | |
| 95 | K | A | -3.4216 | |
| 96 | Q | A | -3.0660 | |
| 97 | E | A | -2.6038 | |
| 98 | K | A | -1.8114 | |
| 99 | V | A | 0.0000 | |
| 100 | L | A | 0.0000 | |
| 101 | I | A | -0.1363 | |
| 102 | I | A | 0.0000 | |
| 103 | T | A | -0.5747 | |
| 104 | K | A | -1.5974 | |
| 105 | L | A | -1.1223 | |
| 106 | E | A | -1.5887 | |
| 107 | V | A | -0.5125 | |
| 108 | V | A | 0.0903 | |
| 109 | F | A | 0.2615 | |
| 110 | K | A | -0.9478 | |
| 111 | A | A | -0.5471 | |
| 112 | L | A | 0.1132 | |
| 113 | D | A | -1.7196 | |
| 114 | S | A | -1.1843 | |
| 115 | E | A | -1.5752 | |
| 116 | I | A | -0.0619 | |
| 117 | K | A | -1.5936 | |
| 118 | C | A | -0.8958 | |
| 119 | E | A | -2.2533 | |
| 120 | A | A | -2.5484 | |
| 121 | E | A | -3.5047 | |
| 122 | K | A | -4.1578 | |
| 123 | Q | A | -4.0789 | |
| 124 | E | A | -4.4231 | |
| 125 | E | A | -4.1020 | |
| 126 | K | A | -3.0269 | |
| 127 | P | A | -1.2239 | |
| 128 | A | A | 0.6139 | |
| 129 | I | A | 2.8584 | |
| 130 | L | A | 3.2878 | |
| 131 | L | A | 2.5885 | |
| 132 | S | A | 0.3597 | |
| 133 | P | A | -1.2229 | |
| 134 | K | A | -3.1934 | |
| 135 | E | A | -3.6871 | |
| 136 | E | A | -2.7982 | |
| 137 | S | A | -0.3243 | |
| 138 | V | A | 2.5687 | |
| 139 | V | A | 3.3761 | |
| 140 | L | A | 2.3476 | |
| 141 | S | A | 0.0247 | |
| 142 | K | A | -1.6564 | |
| 143 | P | A | -1.4882 | |
| 144 | T | A | -1.1217 | |
| 145 | N | A | -1.3834 | |
| 146 | A | A | -0.7682 | |
| 147 | P | A | -0.3236 | |
| 148 | P | A | 0.3051 | |
| 149 | L | A | 1.2033 | |
| 150 | P | A | 0.6962 | |
| 151 | P | A | 1.1620 | |
| 152 | V | A | 2.7906 | |
| 153 | V | A | 2.8977 | |
| 154 | L | A | 1.9158 | |
| 155 | K | A | -1.0089 | |
| 156 | P | A | -1.8946 | |
| 157 | K | A | -2.9563 | |
| 158 | Q | A | -2.7326 | |
| 159 | E | A | -2.4046 | |
| 160 | V | A | -0.4180 | |
| 161 | K | A | -1.3870 | |
| 162 | S | A | -0.5728 | |
| 163 | A | A | 0.0493 | |
| 164 | S | A | -0.7129 | |
| 165 | Q | A | -1.5376 | |
| 166 | I | A | -0.1894 | |
| 167 | V | A | -0.6972 | |
| 168 | N | A | -2.6449 | |
| 169 | E | A | -3.3591 | |
| 170 | Q | A | -3.1827 | |
| 171 | R | A | -3.5417 | |
| 172 | G | A | -3.0384 | |
| 173 | N | A | -2.6552 | |
| 174 | A | A | -1.3539 | |
| 175 | A | A | -0.6632 | |
| 176 | P | A | -0.4810 | |
| 177 | A | A | -0.1655 | |
| 178 | A | A | -0.4233 | |
| 179 | R | A | -0.8833 | |
| 180 | L | A | 0.8423 | |
| 181 | A | A | 0.5555 | |
| 182 | M | A | 0.6726 | |
| 183 | T | A | -0.3552 | |
| 184 | R | A | -1.4875 | |
| 185 | R | A | -2.0774 | |
| 186 | V | A | -0.7734 | |
| 187 | H | A | -0.3903 | |
| 188 | P | A | 0.4732 | |
| 189 | L | A | 0.0000 | |
| 190 | I | A | 1.2865 | |
| 191 | S | A | 0.5613 | |
| 192 | L | A | 0.0000 | |
| 193 | N | A | -0.1868 | |
| 194 | P | A | -0.0037 | |
| 195 | Y | A | 0.4230 | |
| 196 | Q | A | -0.7894 | |
| 197 | G | A | -1.4964 | |
| 198 | N | A | -1.8602 | |
| 199 | W | A | 0.0000 | |
| 200 | I | A | -0.6975 | |
| 201 | I | A | 0.0000 | |
| 202 | K | A | -0.4032 | |
| 203 | V | A | 0.0000 | |
| 204 | R | A | -0.7212 | |
| 205 | V | A | 0.0000 | |
| 206 | T | A | 0.0000 | |
| 207 | S | A | 0.0000 | |
| 208 | K | A | -1.0467 | |
| 209 | G | A | 0.0000 | |
| 210 | N | A | -1.9162 | |
| 211 | L | A | -1.0903 | |
| 212 | R | A | -1.7540 | |
| 213 | T | A | -1.5108 | |
| 214 | Y | A | -1.8899 | |
| 215 | K | A | -3.3120 | |
| 216 | N | A | -3.1416 | |
| 217 | A | A | -2.1357 | |
| 218 | R | A | -3.0216 | |
| 219 | G | A | -2.9137 | |
| 220 | E | A | -3.3482 | |
| 221 | G | A | -2.2427 | |
| 222 | C | A | 0.0000 | |
| 223 | V | A | -0.5277 | |
| 224 | F | A | 0.0000 | |
| 225 | N | A | -0.4791 | |
| 226 | V | A | 0.0000 | |
| 227 | E | A | -0.5172 | |
| 228 | L | A | 0.0000 | |
| 229 | T | A | 0.0000 | |
| 230 | D | A | 0.0000 | |
| 231 | V | A | 1.0481 | |
| 232 | D | A | -0.5888 | |
| 233 | G | A | -0.6652 | |
| 234 | T | A | -0.2194 | |
| 235 | Q | A | -0.5688 | |
| 236 | I | A | 0.0000 | |
| 237 | Q | A | -0.6649 | |
| 238 | A | A | 0.0000 | |
| 239 | T | A | 0.0661 | |
| 240 | M | A | 0.0000 | |
| 241 | F | A | -0.3556 | |
| 242 | N | A | -1.9120 | |
| 243 | E | A | -3.1132 | |
| 244 | A | A | 0.0000 | |
| 245 | A | A | 0.0000 | |
| 246 | K | A | -2.6456 | |
| 247 | K | A | -2.3687 | |
| 248 | F | A | 0.0000 | |
| 249 | Y | A | -0.6792 | |
| 250 | P | A | -0.5955 | |
| 251 | M | A | -0.8300 | |
| 252 | F | A | 0.0000 | |
| 253 | E | A | -1.8078 | |
| 254 | L | A | -0.7208 | |
| 255 | G | A | -1.1926 | |
| 256 | K | A | -2.0541 | |
| 257 | V | A | 0.0000 | |
| 258 | Y | A | 0.0000 | |
| 259 | Y | A | -0.6314 | |
| 260 | I | A | 0.0000 | |
| 261 | S | A | -1.0769 | |
| 262 | K | A | -2.5329 | |
| 263 | G | A | -1.7496 | |
| 264 | S | A | -1.0224 | |
| 265 | L | A | 0.0000 | |
| 266 | R | A | -0.6409 | |
| 267 | V | A | 0.3143 | |
| 268 | A | A | -0.8136 | |
| 269 | N | A | -1.2069 | |
| 270 | K | A | -2.1976 | |
| 271 | Q | A | -1.4504 | |
| 272 | F | A | 0.5183 | |
| 273 | K | A | -1.0448 | |
| 274 | T | A | -0.5707 | |
| 275 | V | A | 0.0000 | |
| 276 | H | A | -1.7772 | |
| 277 | N | A | -1.2988 | |
| 278 | D | A | -1.8397 | |
| 279 | Y | A | -0.7876 | |
| 280 | E | A | -0.7866 | |
| 281 | M | A | 0.0000 | |
| 282 | T | A | -0.5114 | |
| 283 | L | A | 0.0000 | |
| 284 | N | A | -2.2881 | |
| 285 | E | A | -3.5097 | |
| 286 | N | A | -2.5913 | |
| 287 | A | A | 0.0000 | |
| 288 | V | A | -0.8027 | |
| 289 | V | A | 0.0000 | |
| 290 | E | A | -1.9207 | |
| 291 | E | A | -3.1288 | |
| 292 | A | A | -2.5418 | |
| 293 | E | A | -3.1098 | |
| 294 | G | A | -2.2196 | |
| 295 | E | A | -1.9620 | |
| 296 | T | A | -0.2548 | |
| 297 | F | A | 1.4962 | |
| 298 | I | A | 0.0000 | |
| 299 | P | A | -0.2483 | |
| 300 | Q | A | -1.1251 | |
| 301 | I | A | -0.9938 | |
| 302 | Q | A | -1.5644 | |
| 303 | Y | A | -0.9742 | |
| 304 | N | A | -1.3035 | |
| 305 | F | A | -0.6834 | |
| 306 | V | A | -0.8758 | |
| 307 | K | A | -2.0999 | |
| 308 | I | A | 0.0000 | |
| 309 | D | A | -2.2549 | |
| 310 | Q | A | -2.0751 | |
| 311 | L | A | 0.0000 | |
| 312 | G | A | -0.8491 | |
| 313 | P | A | -0.3985 | |
| 314 | Y | A | -0.7516 | |
| 315 | V | A | -0.5507 | |
| 316 | G | A | -1.2045 | |
| 317 | G | A | -1.5718 | |
| 318 | R | A | -2.7869 | |
| 319 | E | A | -2.6378 | |
| 320 | L | A | -1.3177 | |
| 321 | V | A | 0.0000 | |
| 322 | D | A | 0.0000 | |
| 323 | V | A | 0.0000 | |
| 324 | I | A | 0.0000 | |
| 325 | G | A | 0.0000 | |
| 326 | V | A | 0.0000 | |
| 327 | V | A | 0.0000 | |
| 328 | Q | A | -0.9178 | |
| 329 | S | A | -0.3339 | |
| 330 | V | A | -0.0624 | |
| 331 | S | A | 0.0088 | |
| 332 | P | A | -0.1169 | |
| 333 | T | A | 0.0698 | |
| 334 | L | A | 0.7012 | |
| 335 | S | A | -0.3203 | |
| 336 | V | A | -0.9043 | |
| 337 | R | A | -3.2904 | |
| 338 | R | A | -3.2428 | |
| 339 | K | A | -2.7128 | |
| 340 | I | A | -0.6804 | |
| 341 | D | A | -2.7162 | |
| 342 | N | A | -3.6470 | |
| 343 | E | A | -3.6061 | |
| 344 | T | A | -2.4075 | |
| 345 | I | A | -1.2545 | |
| 346 | P | A | -0.4483 | |
| 347 | K | A | -0.1670 | |
| 348 | R | A | 0.0000 | |
| 349 | D | A | -0.1138 | |
| 350 | I | A | 0.0000 | |
| 351 | V | A | 0.2004 | |
| 352 | V | A | 0.0000 | |
| 353 | A | A | 0.0000 | |
| 354 | D | A | 0.0000 | |
| 355 | D | A | -2.3375 | |
| 356 | S | A | -1.5656 | |
| 357 | S | A | -1.2547 | |
| 358 | K | A | -1.1440 | |
| 359 | T | A | -0.5567 | |
| 360 | V | A | 0.0000 | |
| 361 | T | A | 0.0945 | |
| 362 | I | A | 0.0000 | |
| 363 | S | A | 0.0000 | |
| 364 | L | A | 0.0000 | |
| 365 | W | A | -0.3774 | |
| 366 | N | A | -1.5341 | |
| 367 | D | A | -2.0555 | |
| 368 | L | A | -0.9416 | |
| 369 | A | A | 0.0000 | |
| 370 | T | A | -1.0663 | |
| 371 | T | A | -1.1116 | |
| 372 | T | A | -0.9313 | |
| 373 | G | A | 0.0000 | |
| 374 | Q | A | -1.5967 | |
| 375 | E | A | -2.1840 | |
| 376 | L | A | 0.0000 | |
| 377 | L | A | -1.0938 | |
| 378 | D | A | -2.3130 | |
| 379 | M | A | -1.3943 | |
| 380 | V | A | -1.2322 | |
| 381 | D | A | -1.9983 | |
| 382 | S | A | -1.1773 | |
| 383 | A | A | -1.2268 | |
| 384 | P | A | 0.0000 | |
| 385 | I | A | 0.0000 | |
| 386 | I | A | 0.0000 | |
| 387 | A | A | 0.0000 | |
| 388 | I | A | 0.0000 | |
| 389 | K | A | -0.3616 | |
| 390 | S | A | -0.5930 | |
| 391 | L | A | 0.0000 | |
| 392 | K | A | -1.1849 | |
| 393 | V | A | 0.0000 | |
| 394 | S | A | -0.2269 | |
| 395 | D | A | -0.4179 | |
| 396 | F | A | 0.5596 | |
| 397 | Q | A | -0.7859 | |
| 398 | G | A | -0.8925 | |
| 399 | L | A | 0.0000 | |
| 400 | S | A | 0.0000 | |
| 401 | L | A | 0.0000 | |
| 402 | S | A | -0.1223 | |
| 403 | T | A | 0.0000 | |
| 404 | V | A | -0.0357 | |
| 405 | G | A | -0.9463 | |
| 406 | R | A | -0.8633 | |
| 407 | S | A | -0.2810 | |
| 408 | T | A | 0.0415 | |
| 409 | I | A | 0.4278 | |
| 410 | V | A | 0.4034 | |
| 411 | V | A | -0.1978 | |
| 412 | N | A | -1.2906 | |
| 413 | P | A | -1.3531 | |
| 414 | D | A | -2.2760 | |
| 415 | L | A | -1.7403 | |
| 416 | P | A | -1.9944 | |
| 417 | E | A | -2.3737 | |
| 418 | A | A | 0.0000 | |
| 419 | E | A | -3.3202 | |
| 420 | Q | A | -2.9767 | |
| 421 | L | A | 0.0000 | |
| 422 | R | A | -2.3889 | |
| 423 | A | A | -2.2172 | |
| 424 | W | A | 0.0000 | |
| 425 | Y | A | -2.6963 | |
| 426 | D | A | -3.0400 | |
| 427 | S | A | -2.3560 | |
| 428 | E | A | -3.1659 | |
| 429 | G | A | 0.0000 | |
| 430 | K | A | -3.0021 | |
| 431 | G | A | -2.0633 | |
| 432 | T | A | -1.2624 | |
| 433 | S | A | -0.5776 | |
| 434 | M | A | -0.3913 | |
| 435 | A | A | -0.5673 | |
| 436 | S | A | -0.8005 | |
| 437 | I | A | 0.0000 | |
| 438 | G | A | -0.9375 | |
| 439 | S | A | -1.1644 | |
| 440 | D | A | -1.6485 | |
| 441 | M | A | -0.5902 | |
| 442 | G | A | -0.8255 | |
| 443 | A | A | -0.4704 | |
| 444 | S | A | -0.6116 | |
| 445 | R | A | -1.2818 | |
| 446 | V | A | 0.5435 | |
| 447 | G | A | -1.0118 | |
| 448 | G | A | -1.0043 | |
| 449 | A | A | -0.9050 | |
| 450 | R | A | -1.0412 | |
| 451 | S | A | -0.6815 | |
| 452 | M | A | 0.0000 | |
| 453 | Y | A | -0.1027 | |
| 454 | S | A | -0.6104 | |
| 455 | D | A | -0.3036 | |
| 456 | R | A | 0.2409 | |
| 457 | V | A | 0.8340 | |
| 458 | F | A | 1.4256 | |
| 459 | L | A | 0.0000 | |
| 460 | S | A | -0.3638 | |
| 461 | H | A | -0.3236 | |
| 462 | I | A | 0.0000 | |
| 463 | T | A | -0.9040 | |
| 464 | S | A | -1.0440 | |
| 465 | D | A | -1.5662 | |
| 466 | P | A | -2.1863 | |
| 467 | N | A | -2.7230 | |
| 468 | L | A | -1.6514 | |
| 469 | G | A | -2.0078 | |
| 470 | Q | A | -3.6464 | |
| 471 | D | A | -3.3353 | |
| 472 | K | A | -2.6597 | |
| 473 | P | A | -1.0326 | |
| 474 | V | A | 0.5821 | |
| 475 | F | A | 1.6840 | |
| 476 | F | A | 0.9657 | |
| 477 | S | A | 0.0000 | |
| 478 | L | A | 0.0000 | |
| 479 | N | A | 0.0694 | |
| 480 | A | A | 0.0000 | |
| 481 | Y | A | 1.0654 | |
| 482 | I | A | 0.0000 | |
| 483 | S | A | 0.4196 | |
| 484 | L | A | 0.4182 | |
| 485 | I | A | 0.0000 | |
| 486 | K | A | -1.1949 | |
| 487 | P | A | -1.6136 | |
| 488 | D | A | -2.1802 | |
| 489 | Q | A | -1.1271 | |
| 490 | T | A | -0.3229 | |
| 491 | M | A | 0.0000 | |
| 492 | W | A | 0.2562 | |
| 493 | Y | A | -0.7709 | |
| 494 | R | A | -2.4532 | |
| 495 | A | A | 0.0000 | |
| 496 | C | A | 0.0000 | |
| 497 | K | A | -2.7304 | |
| 498 | T | A | -1.2425 | |
| 499 | C | A | -1.5563 | |
| 500 | N | A | -2.3373 | |
| 501 | K | A | -3.5349 | |
| 502 | K | A | -3.3909 | |
| 503 | V | A | 0.0000 | |
| 504 | T | A | -1.4827 | |
| 505 | E | A | -1.6589 | |
| 506 | A | A | -0.3345 | |
| 507 | I | A | 1.2416 | |
| 508 | G | A | 0.1276 | |
| 509 | S | A | -0.6507 | |
| 510 | G | A | -1.1952 | |
| 511 | Y | A | -1.7713 | |
| 512 | W | A | -1.7663 | |
| 513 | C | A | 0.0000 | |
| 514 | E | A | -3.1464 | |
| 515 | G | A | -2.3531 | |
| 516 | C | A | -1.7831 | |
| 517 | Q | A | -2.4604 | |
| 518 | K | A | -2.2189 | |
| 519 | N | A | -2.3253 | |
| 520 | D | A | -2.1750 | |
| 521 | A | A | -1.3352 | |
| 522 | E | A | -2.4049 | |
| 523 | C | A | -2.1450 | |
| 524 | S | A | 0.0000 | |
| 525 | L | A | -1.0087 | |
| 526 | R | A | -1.0904 | |
| 527 | Y | A | 0.0000 | |
| 528 | I | A | 1.3438 | |
| 529 | M | A | 0.0000 | |
| 530 | V | A | 0.9222 | |
| 531 | I | A | 0.0000 | |
| 532 | K | A | -0.1503 | |
| 533 | V | A | 0.0000 | |
| 534 | S | A | -0.3563 | |
| 535 | D | A | -0.3263 | |
| 536 | P | A | -0.3029 | |
| 537 | T | A | -0.3118 | |
| 538 | G | A | -0.9520 | |
| 539 | E | A | -1.6861 | |
| 540 | A | A | 0.0000 | |
| 541 | W | A | 0.1314 | |
| 542 | L | A | 0.0000 | |
| 543 | S | A | 0.2649 | |
| 544 | L | A | 0.0000 | |
| 545 | F | A | 0.4225 | |
| 546 | N | A | 0.0000 | |
| 547 | D | A | -2.4578 | |
| 548 | Q | A | -1.7741 | |
| 549 | A | A | 0.0000 | |
| 550 | E | A | -2.1019 | |
| 551 | R | A | -2.6367 | |
| 552 | I | A | 0.0000 | |
| 553 | V | A | 0.0000 | |
| 554 | G | A | -1.6913 | |
| 555 | C | A | -1.2105 | |
| 556 | S | A | -1.6353 | |
| 557 | A | A | 0.0000 | |
| 558 | D | A | -1.6138 | |
| 559 | E | A | -2.5547 | |
| 560 | L | A | 0.0000 | |
| 561 | D | A | -2.6144 | |
| 562 | R | A | -4.0255 | |
| 563 | I | A | -3.5336 | |
| 564 | R | A | -4.0857 | |
| 565 | K | A | -4.4550 | |
| 566 | E | A | -4.3790 | |
| 567 | E | A | -4.2924 | |
| 568 | G | A | -3.8339 | |
| 569 | D | A | -3.4731 | |
| 570 | D | A | -2.5860 | |
| 571 | S | A | -2.0130 | |
| 572 | Y | A | 0.0000 | |
| 573 | L | A | -0.9968 | |
| 574 | L | A | -0.2916 | |
| 575 | K | A | -1.1674 | |
| 576 | L | A | 0.0000 | |
| 577 | K | A | -1.6914 | |
| 578 | E | A | -2.0371 | |
| 579 | A | A | 0.0000 | |
| 580 | T | A | -0.1122 | |
| 581 | W | A | 1.3634 | |
| 582 | V | A | 1.1292 | |
| 583 | P | A | 0.6638 | |
| 584 | H | A | 0.0000 | |
| 585 | L | A | 0.0000 | |
| 586 | F | A | 0.0000 | |
| 587 | R | A | -0.6983 | |
| 588 | V | A | 0.0000 | |
| 589 | S | A | 0.0000 | |
| 590 | V | A | 0.0000 | |
| 591 | T | A | -1.9655 | |
| 592 | Q | A | -3.4703 | |
| 593 | N | A | -3.0762 | |
| 594 | E | A | -3.5793 | |
| 595 | Y | A | -0.9380 | |
| 596 | M | A | -0.1789 | |
| 597 | N | A | -2.4266 | |
| 598 | E | A | -3.6609 | |
| 599 | K | A | -4.7853 | |
| 600 | R | A | -4.4776 | |
| 601 | Q | A | -3.2648 | |
| 602 | R | A | -2.2834 | |
| 603 | I | A | 0.0000 | |
| 604 | T | A | -0.3560 | |
| 605 | V | A | 0.0000 | |
| 606 | R | A | -1.8742 | |
| 607 | S | A | -1.3619 | |
| 608 | E | A | 0.0000 | |
| 609 | A | A | -0.6556 | |
| 610 | P | A | -0.8307 | |
| 611 | V | A | -1.0709 | |
| 612 | D | A | -2.2747 | |
| 613 | H | A | -2.0945 | |
| 614 | A | A | -1.3566 | |
| 615 | A | A | -1.1435 | |
| 616 | E | A | -1.2689 | |
| 617 | A | A | -1.0804 | |
| 618 | K | A | -1.5357 | |
| 619 | Y | A | -0.6291 | |
| 620 | M | A | 0.0904 | |
| 621 | L | A | 0.4147 | |
| 622 | E | A | -1.6034 | |
| 623 | E | A | -1.0343 | |
| 624 | I | A | 0.6238 | |
| 625 | A | A | -0.2345 | |
| 626 | K | A | -1.5232 | |
| 627 | L | A | 0.6649 | |
| 628 | T | A | 0.3912 | |
| 629 | G | A | -0.4895 | |
| 630 | C | A | 0.4230 |
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 | -0.5415 | 4.4725 | View | CSV | PDB |
| 4.5 | -0.6331 | 4.4766 | View | CSV | PDB |
| 5.0 | -0.7467 | 4.4875 | View | CSV | PDB |
| 5.5 | -0.8606 | 4.5114 | View | CSV | PDB |
| 6.0 | -0.9526 | 4.55 | View | CSV | PDB |
| 6.5 | -1.006 | 4.5984 | View | CSV | PDB |
| 7.0 | -1.0186 | 4.6511 | View | CSV | PDB |
| 7.5 | -1.0023 | 4.7054 | View | CSV | PDB |
| 8.0 | -0.9698 | 4.7599 | View | CSV | PDB |
| 8.5 | -0.9264 | 4.8138 | View | CSV | PDB |
| 9.0 | -0.8719 | 4.8657 | 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