| Chain sequence(s) |
A: SGTIAVKVPASSLLMTRQETGETRLDRSFSNAGLSIGGKKYATGIGTHATSMIPLPVPENPKVLRLEGACGIDDGADGDGSVEFRVMSGSEVLWSSGVMRRGMAAKKFSIPVAENGIRHLYLMADRVDNNSYDHADWVDLAWKTTGSGQGMKGAVVNASEFGMVPGVRKDQGPALRAAVSALRRQGGGVLNIPRGIYHFYPEGALNMSFHISNHDQPLIHPVCVPLADLRNVRVEGNGSLFLFHGKVVPLLVMDSENVSINRLSVDYERSWCTEARVVKTDDRFTEVEIDKKAYPYEIRNNRFVFQGKGWEEGMGSCMAFEKGTGHIIANTSDIGWNGHVEPLGGSRLRLSWNLRQKGIKPGDTLVLRNYNRPHPGCVVYRARKTSLNDVSLHQSSGMALLVQRSEDFHMKGGGVMVRKGTGRVHTAGADATHFSNTRGGIVVEKALFEGMMDDAINVHSTCLGVMEVVDSHTLKCKYMHRQAVGFEVFLPGEKIRFINGPTLEPGGTATVKTAVKKNSAEMVITVEEPLPSSVRAGDAVENADFYPSVVFRNNIVRNNRARGSLFTTPERVLVEGNLFDHSSGSAILLAGDAQGWYESGACHEVVIRKNTFINNLTSRYQFTNAIISIYPEVKQLDRQRDYYHRNVLIENNVFKTFDVPLLFAISTDNLKFINNKVIYNDEFKGWGQKPFQFRRCANILIKDNKVLPPRTWTLEDCKLENTPSDQVRFGG
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. (00:00:04)
[INFO] FoldX: Starting FoldX energy minimization (00:00:04)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:10:29)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/69a324fc92223ce/tmp/folded.pdb (00:10:29)
[INFO] Main: Simulation completed successfully. (00:14:44)
|
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 | S | A | -0.4090 | |
| 2 | G | A | -0.4380 | |
| 3 | T | A | -0.0602 | |
| 4 | I | A | 0.6563 | |
| 5 | A | A | -0.1405 | |
| 6 | V | A | -0.7032 | |
| 7 | K | A | -1.4381 | |
| 8 | V | A | 0.0000 | |
| 9 | P | A | -0.4526 | |
| 10 | A | A | 0.0473 | |
| 11 | S | A | 0.2110 | |
| 12 | S | A | 0.0000 | |
| 13 | L | A | 0.3900 | |
| 14 | L | A | 0.0000 | |
| 15 | M | A | 0.2040 | |
| 16 | T | A | 0.0000 | |
| 17 | R | A | 0.0000 | |
| 18 | Q | A | 0.0000 | |
| 19 | E | A | -0.8128 | |
| 20 | T | A | -0.6738 | |
| 21 | G | A | -0.9479 | |
| 22 | E | A | -1.1181 | |
| 23 | T | A | -0.6218 | |
| 24 | R | A | -1.0221 | |
| 25 | L | A | -0.8834 | |
| 26 | D | A | -1.7151 | |
| 27 | R | A | -2.2604 | |
| 28 | S | A | 0.0000 | |
| 29 | F | A | -0.8947 | |
| 30 | S | A | -1.3739 | |
| 31 | N | A | -2.0268 | |
| 32 | A | A | -1.5183 | |
| 33 | G | A | -1.7674 | |
| 34 | L | A | 0.0000 | |
| 35 | S | A | 0.0000 | |
| 36 | I | A | 0.0000 | |
| 37 | G | A | -1.6584 | |
| 38 | G | A | -1.9990 | |
| 39 | K | A | -2.8742 | |
| 40 | K | A | -2.7322 | |
| 41 | Y | A | -1.8006 | |
| 42 | A | A | -1.0023 | |
| 43 | T | A | -1.2923 | |
| 44 | G | A | 0.0000 | |
| 45 | I | A | 0.0000 | |
| 46 | G | A | 0.0000 | |
| 47 | T | A | 0.0000 | |
| 48 | H | A | 0.0000 | |
| 49 | A | A | 0.0000 | |
| 50 | T | A | 0.0000 | |
| 51 | S | A | 0.0000 | |
| 52 | M | A | 0.0000 | |
| 53 | I | A | 0.0000 | |
| 54 | P | A | 0.0000 | |
| 55 | L | A | 0.0000 | |
| 56 | P | A | -0.6009 | |
| 57 | V | A | 0.0000 | |
| 58 | P | A | -1.9020 | |
| 59 | E | A | -2.8680 | |
| 60 | N | A | -2.6460 | |
| 61 | P | A | -1.8561 | |
| 62 | K | A | -2.1996 | |
| 63 | V | A | 0.0000 | |
| 64 | L | A | -0.7932 | |
| 65 | R | A | -0.9836 | |
| 66 | L | A | 0.0000 | |
| 67 | E | A | -1.1689 | |
| 68 | G | A | 0.0000 | |
| 69 | A | A | 0.0000 | |
| 70 | C | A | 0.0000 | |
| 71 | G | A | 0.0000 | |
| 72 | I | A | 0.0000 | |
| 73 | D | A | 0.0000 | |
| 74 | D | A | -1.9952 | |
| 75 | G | A | -1.2906 | |
| 76 | A | A | 0.0000 | |
| 77 | D | A | -2.3319 | |
| 78 | G | A | -2.0088 | |
| 79 | D | A | -2.7154 | |
| 80 | G | A | 0.0000 | |
| 81 | S | A | 0.0000 | |
| 82 | V | A | 0.0000 | |
| 83 | E | A | 0.0337 | |
| 84 | F | A | 0.0000 | |
| 85 | R | A | -0.0665 | |
| 86 | V | A | 0.0000 | |
| 87 | M | A | 0.0000 | |
| 88 | S | A | 0.0000 | |
| 89 | G | A | 0.0000 | |
| 90 | S | A | 0.0000 | |
| 91 | E | A | 0.1051 | |
| 92 | V | A | 1.0239 | |
| 93 | L | A | 0.8746 | |
| 94 | W | A | 0.5181 | |
| 95 | S | A | 0.1517 | |
| 96 | S | A | 0.0000 | |
| 97 | G | A | 0.1664 | |
| 98 | V | A | 0.9653 | |
| 99 | M | A | 0.0000 | |
| 100 | R | A | -1.6248 | |
| 101 | R | A | -2.4389 | |
| 102 | G | A | -1.6724 | |
| 103 | M | A | -0.6246 | |
| 104 | A | A | -0.9782 | |
| 105 | A | A | -1.2919 | |
| 106 | K | A | -1.6263 | |
| 107 | K | A | -2.3918 | |
| 108 | F | A | 0.0000 | |
| 109 | S | A | -0.7493 | |
| 110 | I | A | 0.0000 | |
| 111 | P | A | -0.6936 | |
| 112 | V | A | 0.0000 | |
| 113 | A | A | -1.4359 | |
| 114 | E | A | -2.2454 | |
| 115 | N | A | 0.0000 | |
| 116 | G | A | -1.3247 | |
| 117 | I | A | 0.0000 | |
| 118 | R | A | -1.0993 | |
| 119 | H | A | -0.5060 | |
| 120 | L | A | 0.0000 | |
| 121 | Y | A | 0.0000 | |
| 122 | L | A | 0.0000 | |
| 123 | M | A | 0.0000 | |
| 124 | A | A | 0.0000 | |
| 125 | D | A | -0.5432 | |
| 126 | R | A | -0.9478 | |
| 127 | V | A | -0.3304 | |
| 128 | D | A | -2.1453 | |
| 129 | N | A | -2.1017 | |
| 130 | N | A | -1.2508 | |
| 131 | S | A | -1.1635 | |
| 132 | Y | A | -0.9385 | |
| 133 | D | A | 0.0000 | |
| 134 | H | A | -0.7000 | |
| 135 | A | A | 0.0000 | |
| 136 | D | A | 0.0000 | |
| 137 | W | A | 0.0000 | |
| 138 | V | A | 0.0000 | |
| 139 | D | A | -1.7251 | |
| 140 | L | A | 0.0000 | |
| 141 | A | A | -0.5958 | |
| 142 | W | A | 0.0000 | |
| 143 | K | A | -0.7221 | |
| 144 | T | A | -0.7695 | |
| 145 | T | A | -0.9973 | |
| 146 | G | A | -1.0128 | |
| 147 | S | A | -1.3136 | |
| 148 | G | A | -1.6507 | |
| 149 | Q | A | -1.9542 | |
| 150 | G | A | -1.5147 | |
| 151 | M | A | -1.5989 | |
| 152 | K | A | -2.1687 | |
| 153 | G | A | -1.2550 | |
| 154 | A | A | 0.0867 | |
| 155 | V | A | 1.3936 | |
| 156 | V | A | 0.0000 | |
| 157 | N | A | -0.5289 | |
| 158 | A | A | 0.0000 | |
| 159 | S | A | -0.7788 | |
| 160 | E | A | -1.5930 | |
| 161 | F | A | -0.2505 | |
| 162 | G | A | -0.4035 | |
| 163 | M | A | 0.0000 | |
| 164 | V | A | 0.5178 | |
| 165 | P | A | -0.1108 | |
| 166 | G | A | -0.3356 | |
| 167 | V | A | -0.8737 | |
| 168 | R | A | -2.4189 | |
| 169 | K | A | -2.5904 | |
| 170 | D | A | -1.8843 | |
| 171 | Q | A | 0.0000 | |
| 172 | G | A | 0.0000 | |
| 173 | P | A | -0.5340 | |
| 174 | A | A | -0.1701 | |
| 175 | L | A | 0.0000 | |
| 176 | R | A | -0.2258 | |
| 177 | A | A | -0.0546 | |
| 178 | A | A | 0.0000 | |
| 179 | V | A | 0.0000 | |
| 180 | S | A | 0.0000 | |
| 181 | A | A | -0.1979 | |
| 182 | L | A | 0.0000 | |
| 183 | R | A | 0.0000 | |
| 184 | R | A | -1.8184 | |
| 185 | Q | A | -1.7594 | |
| 186 | G | A | -1.6929 | |
| 187 | G | A | 0.0000 | |
| 188 | G | A | -0.8270 | |
| 189 | V | A | -0.0113 | |
| 190 | L | A | 0.0000 | |
| 191 | N | A | -0.6456 | |
| 192 | I | A | 0.0000 | |
| 193 | P | A | -1.0458 | |
| 194 | R | A | -2.0926 | |
| 195 | G | A | -0.5330 | |
| 196 | I | A | 0.4761 | |
| 197 | Y | A | 0.0000 | |
| 198 | H | A | 0.0000 | |
| 199 | F | A | 0.0000 | |
| 200 | Y | A | -1.3382 | |
| 201 | P | A | -1.3520 | |
| 202 | E | A | -1.9986 | |
| 203 | G | A | -1.3415 | |
| 204 | A | A | -0.8588 | |
| 205 | L | A | 0.0000 | |
| 206 | N | A | -0.5634 | |
| 207 | M | A | 0.0000 | |
| 208 | S | A | 0.0000 | |
| 209 | F | A | 0.0000 | |
| 210 | H | A | 0.0000 | |
| 211 | I | A | 0.0000 | |
| 212 | S | A | 0.0000 | |
| 213 | N | A | 0.0000 | |
| 214 | H | A | 0.0000 | |
| 215 | D | A | -0.9952 | |
| 216 | Q | A | -0.6517 | |
| 217 | P | A | -0.0576 | |
| 218 | L | A | 0.1334 | |
| 219 | I | A | 0.2171 | |
| 220 | H | A | 0.0000 | |
| 221 | P | A | -0.5134 | |
| 222 | V | A | 0.0000 | |
| 223 | C | A | 0.0000 | |
| 224 | V | A | 0.0000 | |
| 225 | P | A | 0.0000 | |
| 226 | L | A | 0.0000 | |
| 227 | A | A | 0.0000 | |
| 228 | D | A | 0.0000 | |
| 229 | L | A | 0.0000 | |
| 230 | R | A | -1.9040 | |
| 231 | N | A | -2.3617 | |
| 232 | V | A | 0.0000 | |
| 233 | R | A | -2.0407 | |
| 234 | V | A | 0.0000 | |
| 235 | E | A | -1.4662 | |
| 236 | G | A | 0.0000 | |
| 237 | N | A | -1.5847 | |
| 238 | G | A | -1.6796 | |
| 239 | S | A | 0.0000 | |
| 240 | L | A | 0.0000 | |
| 241 | F | A | 0.0000 | |
| 242 | L | A | 0.0000 | |
| 243 | F | A | 0.0000 | |
| 244 | H | A | -0.9396 | |
| 245 | G | A | 0.0000 | |
| 246 | K | A | -0.8735 | |
| 247 | V | A | 0.0000 | |
| 248 | V | A | 0.0000 | |
| 249 | P | A | 0.0000 | |
| 250 | L | A | 0.0000 | |
| 251 | L | A | 0.0000 | |
| 252 | V | A | 0.0000 | |
| 253 | M | A | 0.0000 | |
| 254 | D | A | 0.0000 | |
| 255 | S | A | 0.0000 | |
| 256 | E | A | -2.2819 | |
| 257 | N | A | -2.4595 | |
| 258 | V | A | 0.0000 | |
| 259 | S | A | 0.0000 | |
| 260 | I | A | 0.0000 | |
| 261 | N | A | -1.9357 | |
| 262 | R | A | -2.3118 | |
| 263 | L | A | 0.0000 | |
| 264 | S | A | -0.6092 | |
| 265 | V | A | 0.0000 | |
| 266 | D | A | 0.0000 | |
| 267 | Y | A | 0.0000 | |
| 268 | E | A | -0.7979 | |
| 269 | R | A | -0.9888 | |
| 270 | S | A | 0.0000 | |
| 271 | W | A | 0.0000 | |
| 272 | C | A | 0.0000 | |
| 273 | T | A | 0.0000 | |
| 274 | E | A | 0.0000 | |
| 275 | A | A | 0.0000 | |
| 276 | R | A | -2.4891 | |
| 277 | V | A | 0.0000 | |
| 278 | V | A | -1.6841 | |
| 279 | K | A | -2.5868 | |
| 280 | T | A | -2.8862 | |
| 281 | D | A | -3.6353 | |
| 282 | D | A | -3.7671 | |
| 283 | R | A | -3.2254 | |
| 284 | F | A | -2.0828 | |
| 285 | T | A | 0.0000 | |
| 286 | E | A | -1.8593 | |
| 287 | V | A | 0.0000 | |
| 288 | E | A | -2.5491 | |
| 289 | I | A | 0.0000 | |
| 290 | D | A | -3.0968 | |
| 291 | K | A | -3.4688 | |
| 292 | K | A | -2.9321 | |
| 293 | A | A | -1.9443 | |
| 294 | Y | A | 0.0000 | |
| 295 | P | A | -1.9963 | |
| 296 | Y | A | -1.6105 | |
| 297 | E | A | -1.9778 | |
| 298 | I | A | -1.6112 | |
| 299 | R | A | -1.9457 | |
| 300 | N | A | -2.3897 | |
| 301 | N | A | -2.4783 | |
| 302 | R | A | -2.4369 | |
| 303 | F | A | 0.0000 | |
| 304 | V | A | 0.0000 | |
| 305 | F | A | 0.0000 | |
| 306 | Q | A | -1.5428 | |
| 307 | G | A | -1.4453 | |
| 308 | K | A | -1.5851 | |
| 309 | G | A | -1.4078 | |
| 310 | W | A | 0.0000 | |
| 311 | E | A | -2.0993 | |
| 312 | E | A | -1.2438 | |
| 313 | G | A | -1.0789 | |
| 314 | M | A | 0.0000 | |
| 315 | G | A | -0.6762 | |
| 316 | S | A | 0.0000 | |
| 317 | C | A | 0.0000 | |
| 318 | M | A | 0.0000 | |
| 319 | A | A | 0.0000 | |
| 320 | F | A | 0.0000 | |
| 321 | E | A | -1.7630 | |
| 322 | K | A | -2.5233 | |
| 323 | G | A | -1.4946 | |
| 324 | T | A | -0.9911 | |
| 325 | G | A | -1.0170 | |
| 326 | H | A | -0.9486 | |
| 327 | I | A | 0.0000 | |
| 328 | I | A | -0.8382 | |
| 329 | A | A | -1.1267 | |
| 330 | N | A | -1.9691 | |
| 331 | T | A | 0.0000 | |
| 332 | S | A | -1.0419 | |
| 333 | D | A | -0.9953 | |
| 334 | I | A | 0.0000 | |
| 335 | G | A | -0.8934 | |
| 336 | W | A | -0.9739 | |
| 337 | N | A | -1.8285 | |
| 338 | G | A | -1.5262 | |
| 339 | H | A | -1.8756 | |
| 340 | V | A | 0.0000 | |
| 341 | E | A | -2.0146 | |
| 342 | P | A | -1.2386 | |
| 343 | L | A | -0.4829 | |
| 344 | G | A | -0.9862 | |
| 345 | G | A | -1.1661 | |
| 346 | S | A | -1.9354 | |
| 347 | R | A | -2.3356 | |
| 348 | L | A | 0.0000 | |
| 349 | R | A | -1.8636 | |
| 350 | L | A | 0.0000 | |
| 351 | S | A | -1.4295 | |
| 352 | W | A | 0.0000 | |
| 353 | N | A | -2.4532 | |
| 354 | L | A | 0.0000 | |
| 355 | R | A | -3.4699 | |
| 356 | Q | A | -3.0945 | |
| 357 | K | A | -2.2154 | |
| 358 | G | A | -1.7798 | |
| 359 | I | A | 0.0000 | |
| 360 | K | A | -2.6259 | |
| 361 | P | A | -1.8451 | |
| 362 | G | A | -1.6903 | |
| 363 | D | A | 0.0000 | |
| 364 | T | A | 0.0000 | |
| 365 | L | A | 0.0000 | |
| 366 | V | A | 0.0000 | |
| 367 | L | A | 0.0000 | |
| 368 | R | A | 0.0000 | |
| 369 | N | A | -0.1544 | |
| 370 | Y | A | 0.7309 | |
| 371 | N | A | -0.4303 | |
| 372 | R | A | -0.4922 | |
| 373 | P | A | 0.0000 | |
| 374 | H | A | 0.0000 | |
| 375 | P | A | 0.0000 | |
| 376 | G | A | 0.0000 | |
| 377 | C | A | 0.0000 | |
| 378 | V | A | 0.0000 | |
| 379 | V | A | 0.0000 | |
| 380 | Y | A | 0.0000 | |
| 381 | R | A | -0.7900 | |
| 382 | A | A | 0.0000 | |
| 383 | R | A | -3.1679 | |
| 384 | K | A | -3.1138 | |
| 385 | T | A | 0.0000 | |
| 386 | S | A | -1.4880 | |
| 387 | L | A | 0.0000 | |
| 388 | N | A | -2.1114 | |
| 389 | D | A | -2.9012 | |
| 390 | V | A | 0.0000 | |
| 391 | S | A | -0.7592 | |
| 392 | L | A | 0.0000 | |
| 393 | H | A | 0.0000 | |
| 394 | Q | A | 0.0000 | |
| 395 | S | A | 0.0000 | |
| 396 | S | A | 0.0000 | |
| 397 | G | A | 0.0000 | |
| 398 | M | A | 0.0000 | |
| 399 | A | A | 0.0000 | |
| 400 | L | A | 0.0000 | |
| 401 | L | A | 0.0000 | |
| 402 | V | A | 0.0000 | |
| 403 | Q | A | 0.0000 | |
| 404 | R | A | 0.0000 | |
| 405 | S | A | 0.0000 | |
| 406 | E | A | -2.4001 | |
| 407 | D | A | -2.4199 | |
| 408 | F | A | 0.0000 | |
| 409 | H | A | -0.9415 | |
| 410 | M | A | 0.0000 | |
| 411 | K | A | -2.2228 | |
| 412 | G | A | -2.0510 | |
| 413 | G | A | -1.5311 | |
| 414 | G | A | 0.0000 | |
| 415 | V | A | 0.0000 | |
| 416 | M | A | -0.1486 | |
| 417 | V | A | -0.4926 | |
| 418 | R | A | -1.3551 | |
| 419 | K | A | -2.2134 | |
| 420 | G | A | -1.5760 | |
| 421 | T | A | -1.1539 | |
| 422 | G | A | -1.0114 | |
| 423 | R | A | -0.5568 | |
| 424 | V | A | -0.1043 | |
| 425 | H | A | 0.0000 | |
| 426 | T | A | 0.0000 | |
| 427 | A | A | 0.0000 | |
| 428 | G | A | 0.0000 | |
| 429 | A | A | 0.0000 | |
| 430 | D | A | 0.0000 | |
| 431 | A | A | 0.0000 | |
| 432 | T | A | 0.0000 | |
| 433 | H | A | 0.0000 | |
| 434 | F | A | 0.0000 | |
| 435 | S | A | 0.0000 | |
| 436 | N | A | 0.0000 | |
| 437 | T | A | 0.0000 | |
| 438 | R | A | -1.5897 | |
| 439 | G | A | -1.6946 | |
| 440 | G | A | -1.2530 | |
| 441 | I | A | 0.0000 | |
| 442 | V | A | -0.2079 | |
| 443 | V | A | 0.0000 | |
| 444 | E | A | 0.0000 | |
| 445 | K | A | -2.0683 | |
| 446 | A | A | 0.0000 | |
| 447 | L | A | 0.1046 | |
| 448 | F | A | 0.0000 | |
| 449 | E | A | -0.2785 | |
| 450 | G | A | 0.0000 | |
| 451 | M | A | 0.0000 | |
| 452 | M | A | 0.0000 | |
| 453 | D | A | -0.3747 | |
| 454 | D | A | 0.0000 | |
| 455 | A | A | 0.0000 | |
| 456 | I | A | 0.0000 | |
| 457 | N | A | 0.0000 | |
| 458 | V | A | 0.0000 | |
| 459 | H | A | 0.0000 | |
| 460 | S | A | 0.0000 | |
| 461 | T | A | 0.0000 | |
| 462 | C | A | 0.0000 | |
| 463 | L | A | 0.0000 | |
| 464 | G | A | 0.0000 | |
| 465 | V | A | 0.0000 | |
| 466 | M | A | -0.6993 | |
| 467 | E | A | -1.2899 | |
| 468 | V | A | -0.4971 | |
| 469 | V | A | 0.1877 | |
| 470 | D | A | -1.3086 | |
| 471 | S | A | -1.1456 | |
| 472 | H | A | -1.6910 | |
| 473 | T | A | -0.8594 | |
| 474 | L | A | 0.0000 | |
| 475 | K | A | -0.9743 | |
| 476 | C | A | 0.0000 | |
| 477 | K | A | -1.0103 | |
| 478 | Y | A | 0.0000 | |
| 479 | M | A | -0.3913 | |
| 480 | H | A | -0.9242 | |
| 481 | R | A | -1.8777 | |
| 482 | Q | A | -1.1344 | |
| 483 | A | A | 0.0000 | |
| 484 | V | A | -0.6148 | |
| 485 | G | A | 0.0000 | |
| 486 | F | A | 0.0000 | |
| 487 | E | A | 0.0000 | |
| 488 | V | A | 0.0000 | |
| 489 | F | A | 0.0000 | |
| 490 | L | A | -0.3215 | |
| 491 | P | A | -1.1477 | |
| 492 | G | A | -1.6209 | |
| 493 | E | A | -1.4032 | |
| 494 | K | A | -1.9285 | |
| 495 | I | A | 0.0000 | |
| 496 | R | A | -1.0671 | |
| 497 | F | A | 0.0000 | |
| 498 | I | A | 0.0000 | |
| 499 | N | A | -0.9557 | |
| 500 | G | A | -1.1118 | |
| 501 | P | A | -1.4030 | |
| 502 | T | A | 0.0000 | |
| 503 | L | A | 0.0000 | |
| 504 | E | A | 0.0000 | |
| 505 | P | A | -0.7417 | |
| 506 | G | A | -0.9602 | |
| 507 | G | A | -0.7133 | |
| 508 | T | A | -0.9777 | |
| 509 | A | A | 0.0000 | |
| 510 | T | A | -2.1529 | |
| 511 | V | A | 0.0000 | |
| 512 | K | A | -2.9420 | |
| 513 | T | A | -0.9095 | |
| 514 | A | A | 0.0000 | |
| 515 | V | A | 0.6492 | |
| 516 | K | A | -0.5213 | |
| 517 | K | A | -1.4078 | |
| 518 | N | A | -1.3175 | |
| 519 | S | A | -1.0617 | |
| 520 | A | A | -1.0040 | |
| 521 | E | A | -1.2596 | |
| 522 | M | A | 0.0000 | |
| 523 | V | A | 0.0435 | |
| 524 | I | A | 0.0000 | |
| 525 | T | A | -1.2997 | |
| 526 | V | A | 0.0000 | |
| 527 | E | A | -3.4795 | |
| 528 | E | A | -3.1474 | |
| 529 | P | A | -1.9280 | |
| 530 | L | A | -1.4036 | |
| 531 | P | A | -0.8987 | |
| 532 | S | A | -0.7152 | |
| 533 | S | A | -0.9471 | |
| 534 | V | A | 0.0000 | |
| 535 | R | A | -1.9714 | |
| 536 | A | A | -1.2461 | |
| 537 | G | A | -1.1725 | |
| 538 | D | A | 0.0000 | |
| 539 | A | A | 0.0000 | |
| 540 | V | A | 0.0000 | |
| 541 | E | A | 0.0000 | |
| 542 | N | A | 0.0000 | |
| 543 | A | A | -0.8048 | |
| 544 | D | A | -1.0209 | |
| 545 | F | A | 0.0000 | |
| 546 | Y | A | -0.7598 | |
| 547 | P | A | 0.0000 | |
| 548 | S | A | -1.3493 | |
| 549 | V | A | 0.0000 | |
| 550 | V | A | 0.0000 | |
| 551 | F | A | 0.0000 | |
| 552 | R | A | -1.5852 | |
| 553 | N | A | -1.8046 | |
| 554 | N | A | 0.0000 | |
| 555 | I | A | 0.1180 | |
| 556 | V | A | 0.0000 | |
| 557 | R | A | -0.7455 | |
| 558 | N | A | -0.7384 | |
| 559 | N | A | 0.0000 | |
| 560 | R | A | -0.7726 | |
| 561 | A | A | 0.0000 | |
| 562 | R | A | -0.6166 | |
| 563 | G | A | 0.0000 | |
| 564 | S | A | 0.0000 | |
| 565 | L | A | 0.0000 | |
| 566 | F | A | 0.0000 | |
| 567 | T | A | 0.0000 | |
| 568 | T | A | 0.0000 | |
| 569 | P | A | -1.5310 | |
| 570 | E | A | -2.5324 | |
| 571 | R | A | -2.3360 | |
| 572 | V | A | 0.0000 | |
| 573 | L | A | 0.0000 | |
| 574 | V | A | 0.0000 | |
| 575 | E | A | -1.4887 | |
| 576 | G | A | -1.6126 | |
| 577 | N | A | 0.0000 | |
| 578 | L | A | -0.0322 | |
| 579 | F | A | 0.0000 | |
| 580 | D | A | -0.4833 | |
| 581 | H | A | -0.5060 | |
| 582 | S | A | 0.0000 | |
| 583 | S | A | 0.0000 | |
| 584 | G | A | 0.0000 | |
| 585 | S | A | 0.0000 | |
| 586 | A | A | 0.0000 | |
| 587 | I | A | 0.0000 | |
| 588 | L | A | 0.0000 | |
| 589 | L | A | 0.0000 | |
| 590 | A | A | 0.0266 | |
| 591 | G | A | 0.0000 | |
| 592 | D | A | 0.0000 | |
| 593 | A | A | -0.8292 | |
| 594 | Q | A | -1.3749 | |
| 595 | G | A | -0.6064 | |
| 596 | W | A | 0.1310 | |
| 597 | Y | A | -0.0230 | |
| 598 | E | A | -0.0922 | |
| 599 | S | A | 0.0000 | |
| 600 | G | A | 0.0000 | |
| 601 | A | A | 0.0000 | |
| 602 | C | A | 0.0000 | |
| 603 | H | A | -2.2224 | |
| 604 | E | A | -2.7318 | |
| 605 | V | A | 0.0000 | |
| 606 | V | A | -0.7392 | |
| 607 | I | A | 0.0000 | |
| 608 | R | A | -1.7805 | |
| 609 | K | A | -2.4098 | |
| 610 | N | A | 0.0000 | |
| 611 | T | A | -0.4275 | |
| 612 | F | A | 0.0000 | |
| 613 | I | A | -0.0500 | |
| 614 | N | A | 0.0000 | |
| 615 | N | A | 0.0000 | |
| 616 | L | A | 0.0000 | |
| 617 | T | A | -1.0914 | |
| 618 | S | A | 0.0000 | |
| 619 | R | A | -2.2881 | |
| 620 | Y | A | -1.4952 | |
| 621 | Q | A | -1.3867 | |
| 622 | F | A | -0.7149 | |
| 623 | T | A | 0.0000 | |
| 624 | N | A | -0.7107 | |
| 625 | A | A | 0.0000 | |
| 626 | I | A | 0.0000 | |
| 627 | I | A | 0.0000 | |
| 628 | S | A | 0.0000 | |
| 629 | I | A | 0.0000 | |
| 630 | Y | A | -0.1762 | |
| 631 | P | A | 0.0000 | |
| 632 | E | A | -1.2810 | |
| 633 | V | A | -1.6872 | |
| 634 | K | A | -2.6289 | |
| 635 | Q | A | -2.4238 | |
| 636 | L | A | 0.0000 | |
| 637 | D | A | -3.5286 | |
| 638 | R | A | -3.6538 | |
| 639 | Q | A | 0.0000 | |
| 640 | R | A | -3.2962 | |
| 641 | D | A | -2.7392 | |
| 642 | Y | A | -1.2844 | |
| 643 | Y | A | 0.0000 | |
| 644 | H | A | 0.0000 | |
| 645 | R | A | -1.8649 | |
| 646 | N | A | -1.9330 | |
| 647 | V | A | 0.0000 | |
| 648 | L | A | -0.4972 | |
| 649 | I | A | 0.0000 | |
| 650 | E | A | -1.6910 | |
| 651 | N | A | -1.9275 | |
| 652 | N | A | 0.0000 | |
| 653 | V | A | -0.6758 | |
| 654 | F | A | 0.0000 | |
| 655 | K | A | -0.5280 | |
| 656 | T | A | 0.0000 | |
| 657 | F | A | 0.0000 | |
| 658 | D | A | -2.3996 | |
| 659 | V | A | 0.0000 | |
| 660 | P | A | 0.0000 | |
| 661 | L | A | 0.0000 | |
| 662 | L | A | 0.0000 | |
| 663 | F | A | 0.0000 | |
| 664 | A | A | 0.0000 | |
| 665 | I | A | 0.0000 | |
| 666 | S | A | 0.0000 | |
| 667 | T | A | 0.0000 | |
| 668 | D | A | -1.4134 | |
| 669 | N | A | -1.4076 | |
| 670 | L | A | 0.0000 | |
| 671 | K | A | -0.8984 | |
| 672 | F | A | 0.0000 | |
| 673 | I | A | -1.5737 | |
| 674 | N | A | -2.5160 | |
| 675 | N | A | 0.0000 | |
| 676 | K | A | -1.4711 | |
| 677 | V | A | 0.0000 | |
| 678 | I | A | 0.1712 | |
| 679 | Y | A | -0.7158 | |
| 680 | N | A | -1.7806 | |
| 681 | D | A | -3.2942 | |
| 682 | E | A | -3.0785 | |
| 683 | F | A | -2.2589 | |
| 684 | K | A | -2.7255 | |
| 685 | G | A | -2.1062 | |
| 686 | W | A | -1.1279 | |
| 687 | G | A | -1.4409 | |
| 688 | Q | A | -1.7148 | |
| 689 | K | A | -2.1297 | |
| 690 | P | A | -1.2768 | |
| 691 | F | A | 0.0000 | |
| 692 | Q | A | 0.0000 | |
| 693 | F | A | 0.0000 | |
| 694 | R | A | -2.0247 | |
| 695 | R | A | -2.0188 | |
| 696 | C | A | 0.0000 | |
| 697 | A | A | 0.0000 | |
| 698 | N | A | -1.4984 | |
| 699 | I | A | 0.0000 | |
| 700 | L | A | -0.7909 | |
| 701 | I | A | 0.0000 | |
| 702 | K | A | -2.1476 | |
| 703 | D | A | -2.9935 | |
| 704 | N | A | -2.6689 | |
| 705 | K | A | -2.3773 | |
| 706 | V | A | 0.0000 | |
| 707 | L | A | 0.0932 | |
| 708 | P | A | -0.2278 | |
| 709 | P | A | -1.0372 | |
| 710 | R | A | -2.0244 | |
| 711 | T | A | -1.2336 | |
| 712 | W | A | -0.8830 | |
| 713 | T | A | -0.8144 | |
| 714 | L | A | -1.0235 | |
| 715 | E | A | -2.0588 | |
| 716 | D | A | -1.6682 | |
| 717 | C | A | 0.0000 | |
| 718 | K | A | -1.7728 | |
| 719 | L | A | -1.5711 | |
| 720 | E | A | -2.4768 | |
| 721 | N | A | -2.5836 | |
| 722 | T | A | 0.0000 | |
| 723 | P | A | -1.6124 | |
| 724 | S | A | -1.6459 | |
| 725 | D | A | -2.3419 | |
| 726 | Q | A | -1.7269 | |
| 727 | V | A | 0.0000 | |
| 728 | R | A | -1.5688 | |
| 729 | F | A | -0.6233 | |
| 730 | G | A | -1.1162 | |
| 731 | G | A | -1.1944 |
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 | -0.7141 | 1.7159 | View | CSV | PDB |
| 4.5 | -0.7581 | 1.7168 | View | CSV | PDB |
| 5.0 | -0.8102 | 1.7196 | View | CSV | PDB |
| 5.5 | -0.8609 | 1.7273 | View | CSV | PDB |
| 6.0 | -0.8991 | 1.7453 | View | CSV | PDB |
| 6.5 | -0.9164 | 1.7766 | View | CSV | PDB |
| 7.0 | -0.9131 | 1.8179 | View | CSV | PDB |
| 7.5 | -0.8963 | 1.8639 | View | CSV | PDB |
| 8.0 | -0.8715 | 1.9117 | View | CSV | PDB |
| 8.5 | -0.8407 | 1.96 | View | CSV | PDB |
| 9.0 | -0.8036 | 2.0079 | 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