| Chain sequence(s) |
A: MENIVLLLATVSLVKSDQICIGYHANNSTEQVDTIMEKNVTVTHAQDILEKTHNGKLCDLNGVKPLILKDCSVAGWLLGNPMCDEFIRVPEWSYIVERANPANDLCYPGSLNDYEELKHMLSRINHFEKILIIPKSSWPNHETSLGVSAACSYQGAPSFFRNVVWLIKKNDAYPTIKISYNNTNREDLLILWGIHHSNNAEEQTNLYKNPTTYISVGTSTLNQRLTPKIATRSQVNGQRGRMDFFWTILKPDDAIHFESNGNFIAPEYAYKIVKKGDSTIMKSGVEYGHCNTKCQTPVGAINSSMPFHNIHPLTIGECPKYVKSNKLVLATGLRNSPLREKRRKRGLFGAIAGFIEGGWQGMVDGWYGYHHSNEQGSGYAADKESTQKAIDGVTNKVNSIIDKMNTQFEAVGREFNNLERRIENLNKKMEDGFLDVWTYNAELLVLMENERTLDFHDSNVKNLYDKVRLQLKDNAKELGNGCFEFYHKCDNECMESVRNGTYDYPQYSEEARLKREEISGVKLESVGTYQILSIYSTAASSLALAIMMAGLSLWMCSNGSLQCRICIKGENLYFQGHHHHHH
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. (00:00:02)
[INFO] FoldX: Starting FoldX energy minimization (00:00:02)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:09:04)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/ec6cb9231f4d438/tmp/folded.pdb (00:09:04)
[INFO] Main: Simulation completed successfully. (00:11:53)
|
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 | 0.5855 | |
| 2 | E | A | -0.6009 | |
| 3 | N | A | 0.2523 | |
| 4 | I | A | 2.4001 | |
| 5 | V | A | 3.3400 | |
| 6 | L | A | 3.3559 | |
| 7 | L | A | 3.7654 | |
| 8 | L | A | 3.9433 | |
| 9 | A | A | 2.9507 | |
| 10 | T | A | 2.5294 | |
| 11 | V | A | 3.0962 | |
| 12 | S | A | 1.9145 | |
| 13 | L | A | 2.2947 | |
| 14 | V | A | 1.6311 | |
| 15 | K | A | -1.0151 | |
| 16 | S | A | -1.1663 | |
| 17 | D | A | -2.1596 | |
| 18 | Q | A | -1.8876 | |
| 19 | I | A | 0.0000 | |
| 20 | C | A | 0.0577 | |
| 21 | I | A | -0.1412 | |
| 22 | G | A | -0.3832 | |
| 23 | Y | A | -0.2578 | |
| 24 | H | A | -1.3041 | |
| 25 | A | A | -1.3160 | |
| 26 | N | A | -2.4569 | |
| 27 | N | A | -2.2029 | |
| 28 | S | A | -1.8627 | |
| 29 | T | A | -1.5709 | |
| 30 | E | A | -2.5875 | |
| 31 | Q | A | -2.6626 | |
| 32 | V | A | 0.0000 | |
| 33 | D | A | -1.8112 | |
| 34 | T | A | -0.9419 | |
| 35 | I | A | 0.3266 | |
| 36 | M | A | 0.0888 | |
| 37 | E | A | -2.3563 | |
| 38 | K | A | -3.1107 | |
| 39 | N | A | -3.1133 | |
| 40 | V | A | 0.0000 | |
| 41 | T | A | -2.0620 | |
| 42 | V | A | 0.0000 | |
| 43 | T | A | -1.6855 | |
| 44 | H | A | -1.6954 | |
| 45 | A | A | -1.2454 | |
| 46 | Q | A | -1.1430 | |
| 47 | D | A | -0.9733 | |
| 48 | I | A | 0.0000 | |
| 49 | L | A | 0.0000 | |
| 50 | E | A | -1.5851 | |
| 51 | K | A | -1.8687 | |
| 52 | T | A | -1.3791 | |
| 53 | H | A | -1.6231 | |
| 54 | N | A | -1.3285 | |
| 55 | G | A | -1.1416 | |
| 56 | K | A | -1.7831 | |
| 57 | L | A | 0.0000 | |
| 58 | C | A | 0.0000 | |
| 59 | D | A | -1.9567 | |
| 60 | L | A | -1.9686 | |
| 61 | N | A | -2.5484 | |
| 62 | G | A | -1.6568 | |
| 63 | V | A | -1.2241 | |
| 64 | K | A | -2.1708 | |
| 65 | P | A | -0.8767 | |
| 66 | L | A | 0.0000 | |
| 67 | I | A | -1.0664 | |
| 68 | L | A | 0.0000 | |
| 69 | K | A | -2.7269 | |
| 70 | D | A | -2.4293 | |
| 71 | C | A | 0.0000 | |
| 72 | S | A | 0.0000 | |
| 73 | V | A | 0.0000 | |
| 74 | A | A | 0.0000 | |
| 75 | G | A | 0.0000 | |
| 76 | W | A | 0.0000 | |
| 77 | L | A | 0.0000 | |
| 78 | L | A | 0.0000 | |
| 79 | G | A | 0.0000 | |
| 80 | N | A | 0.0000 | |
| 81 | P | A | 0.0000 | |
| 82 | M | A | -0.2208 | |
| 83 | C | A | 0.0000 | |
| 84 | D | A | -1.3444 | |
| 85 | E | A | -2.1010 | |
| 86 | F | A | 0.0000 | |
| 87 | I | A | -1.0122 | |
| 88 | R | A | -1.9941 | |
| 89 | V | A | 0.0000 | |
| 90 | P | A | -1.5305 | |
| 91 | E | A | -2.0834 | |
| 92 | W | A | 0.0000 | |
| 93 | S | A | 0.0000 | |
| 94 | Y | A | 0.0000 | |
| 95 | I | A | 0.0000 | |
| 96 | V | A | 0.0000 | |
| 97 | E | A | 0.0000 | |
| 98 | R | A | -2.9492 | |
| 99 | A | A | -1.8276 | |
| 100 | N | A | -2.2435 | |
| 101 | P | A | -2.1386 | |
| 102 | A | A | -1.2988 | |
| 103 | N | A | -1.1411 | |
| 104 | D | A | -1.1533 | |
| 105 | L | A | -0.3536 | |
| 106 | C | A | 0.0000 | |
| 107 | Y | A | 0.0000 | |
| 108 | P | A | 0.0000 | |
| 109 | G | A | -0.4045 | |
| 110 | S | A | -0.6745 | |
| 111 | L | A | 0.0000 | |
| 112 | N | A | -1.7811 | |
| 113 | D | A | -3.0274 | |
| 114 | Y | A | -2.4013 | |
| 115 | E | A | -3.5397 | |
| 116 | E | A | -3.6900 | |
| 117 | L | A | 0.0000 | |
| 118 | K | A | -2.3416 | |
| 119 | H | A | -2.5228 | |
| 120 | M | A | -1.9206 | |
| 121 | L | A | 0.0000 | |
| 122 | S | A | -2.1759 | |
| 123 | R | A | -3.4334 | |
| 124 | I | A | 0.0000 | |
| 125 | N | A | -2.1296 | |
| 126 | H | A | -1.6550 | |
| 127 | F | A | 0.0000 | |
| 128 | E | A | -1.1525 | |
| 129 | K | A | -0.3019 | |
| 130 | I | A | 0.6391 | |
| 131 | L | A | 1.3816 | |
| 132 | I | A | 0.0000 | |
| 133 | I | A | 0.0000 | |
| 134 | P | A | -0.4823 | |
| 135 | K | A | -1.5830 | |
| 136 | S | A | -1.1162 | |
| 137 | S | A | -0.8485 | |
| 138 | W | A | 0.0000 | |
| 139 | P | A | -1.3549 | |
| 140 | N | A | -2.0282 | |
| 141 | H | A | 0.0000 | |
| 142 | E | A | -1.1184 | |
| 143 | T | A | -0.4642 | |
| 144 | S | A | 0.4212 | |
| 145 | L | A | 1.4106 | |
| 146 | G | A | 0.0000 | |
| 147 | V | A | 1.1547 | |
| 148 | S | A | 0.0000 | |
| 149 | A | A | -0.1818 | |
| 150 | A | A | 0.0000 | |
| 151 | C | A | 0.0000 | |
| 152 | S | A | -0.0615 | |
| 153 | Y | A | -0.1563 | |
| 154 | Q | A | -1.1295 | |
| 155 | G | A | -0.9220 | |
| 156 | A | A | -0.4045 | |
| 157 | P | A | 0.0338 | |
| 158 | S | A | 0.2546 | |
| 159 | F | A | 0.4757 | |
| 160 | F | A | 0.0000 | |
| 161 | R | A | -0.4310 | |
| 162 | N | A | 0.0000 | |
| 163 | V | A | 0.0000 | |
| 164 | V | A | 0.0000 | |
| 165 | W | A | 0.0000 | |
| 166 | L | A | 0.0000 | |
| 167 | I | A | 0.0000 | |
| 168 | K | A | -2.2362 | |
| 169 | K | A | -2.7247 | |
| 170 | N | A | -2.8907 | |
| 171 | D | A | -3.2026 | |
| 172 | A | A | -2.3440 | |
| 173 | Y | A | 0.0000 | |
| 174 | P | A | -1.1577 | |
| 175 | T | A | -0.7643 | |
| 176 | I | A | 0.0000 | |
| 177 | K | A | -1.9405 | |
| 178 | I | A | -0.9204 | |
| 179 | S | A | -1.0068 | |
| 180 | Y | A | -0.7149 | |
| 181 | N | A | -2.0814 | |
| 182 | N | A | 0.0000 | |
| 183 | T | A | -1.8469 | |
| 184 | N | A | -2.2157 | |
| 185 | R | A | -2.7554 | |
| 186 | E | A | -2.1284 | |
| 187 | D | A | 0.0000 | |
| 188 | L | A | 0.0000 | |
| 189 | L | A | 0.0000 | |
| 190 | I | A | 0.0000 | |
| 191 | L | A | 0.0000 | |
| 192 | W | A | 0.0000 | |
| 193 | G | A | 0.0000 | |
| 194 | I | A | 0.0000 | |
| 195 | H | A | 0.0000 | |
| 196 | H | A | 0.0000 | |
| 197 | S | A | 0.0000 | |
| 198 | N | A | 0.0000 | |
| 199 | N | A | -1.4181 | |
| 200 | A | A | -1.3980 | |
| 201 | E | A | -2.5079 | |
| 202 | E | A | -1.8339 | |
| 203 | Q | A | 0.0000 | |
| 204 | T | A | -2.1606 | |
| 205 | N | A | -2.2701 | |
| 206 | L | A | -1.5053 | |
| 207 | Y | A | 0.0000 | |
| 208 | K | A | -2.4871 | |
| 209 | N | A | -1.0692 | |
| 210 | P | A | -1.0183 | |
| 211 | T | A | -0.2989 | |
| 212 | T | A | 0.0000 | |
| 213 | Y | A | -0.3430 | |
| 214 | I | A | 0.0000 | |
| 215 | S | A | -1.6138 | |
| 216 | V | A | 0.0000 | |
| 217 | G | A | -1.2688 | |
| 218 | T | A | -0.8032 | |
| 219 | S | A | -0.7344 | |
| 220 | T | A | -0.4182 | |
| 221 | L | A | -0.4702 | |
| 222 | N | A | -1.8592 | |
| 223 | Q | A | -1.8080 | |
| 224 | R | A | -2.2530 | |
| 225 | L | A | -0.9667 | |
| 226 | T | A | -0.6256 | |
| 227 | P | A | -0.6461 | |
| 228 | K | A | -1.3749 | |
| 229 | I | A | -0.4789 | |
| 230 | A | A | -0.5105 | |
| 231 | T | A | -0.8894 | |
| 232 | R | A | -1.0366 | |
| 233 | S | A | -1.2479 | |
| 234 | Q | A | -1.7829 | |
| 235 | V | A | -0.6456 | |
| 236 | N | A | -1.4404 | |
| 237 | G | A | -1.4200 | |
| 238 | Q | A | -1.4958 | |
| 239 | R | A | -1.9784 | |
| 240 | G | A | 0.0000 | |
| 241 | R | A | -0.9274 | |
| 242 | M | A | 0.0000 | |
| 243 | D | A | -0.6063 | |
| 244 | F | A | 0.0000 | |
| 245 | F | A | -0.2327 | |
| 246 | W | A | 0.0716 | |
| 247 | T | A | 0.2688 | |
| 248 | I | A | 0.1347 | |
| 249 | L | A | 0.0000 | |
| 250 | K | A | -2.7483 | |
| 251 | P | A | -2.7962 | |
| 252 | D | A | -3.1094 | |
| 253 | D | A | -2.0578 | |
| 254 | A | A | -1.6175 | |
| 255 | I | A | 0.0000 | |
| 256 | H | A | -1.5689 | |
| 257 | F | A | 0.0000 | |
| 258 | E | A | -1.4481 | |
| 259 | S | A | 0.0000 | |
| 260 | N | A | -0.7326 | |
| 261 | G | A | 0.0000 | |
| 262 | N | A | 0.0000 | |
| 263 | F | A | 0.0000 | |
| 264 | I | A | 0.0000 | |
| 265 | A | A | 0.0000 | |
| 266 | P | A | 0.0000 | |
| 267 | E | A | 0.0000 | |
| 268 | Y | A | 0.7420 | |
| 269 | A | A | 0.0000 | |
| 270 | Y | A | 0.0000 | |
| 271 | K | A | -0.5935 | |
| 272 | I | A | 0.0000 | |
| 273 | V | A | -0.8902 | |
| 274 | K | A | -2.4432 | |
| 275 | K | A | -3.0518 | |
| 276 | G | A | -2.7468 | |
| 277 | D | A | -3.0963 | |
| 278 | S | A | 0.0000 | |
| 279 | T | A | -0.9141 | |
| 280 | I | A | -0.3638 | |
| 281 | M | A | 0.0000 | |
| 282 | K | A | -1.5816 | |
| 283 | S | A | -1.4500 | |
| 284 | G | A | -1.6663 | |
| 285 | V | A | -1.1608 | |
| 286 | E | A | -2.1421 | |
| 287 | Y | A | -1.2907 | |
| 288 | G | A | -1.3493 | |
| 289 | H | A | -1.6394 | |
| 290 | C | A | -1.2452 | |
| 291 | N | A | -2.3791 | |
| 292 | T | A | 0.0000 | |
| 293 | K | A | -3.2287 | |
| 294 | C | A | 0.0000 | |
| 295 | Q | A | 0.0000 | |
| 296 | T | A | 0.0000 | |
| 297 | P | A | 0.0000 | |
| 298 | V | A | -0.1855 | |
| 299 | G | A | 0.0000 | |
| 300 | A | A | 0.0000 | |
| 301 | I | A | 0.0000 | |
| 302 | N | A | -2.0011 | |
| 303 | S | A | -1.1959 | |
| 304 | S | A | -0.4562 | |
| 305 | M | A | -0.5495 | |
| 306 | P | A | 0.0000 | |
| 307 | F | A | 0.0000 | |
| 308 | H | A | 0.0000 | |
| 309 | N | A | -1.7724 | |
| 310 | I | A | -0.8093 | |
| 311 | H | A | -0.4834 | |
| 312 | P | A | -0.3409 | |
| 313 | L | A | 0.4780 | |
| 314 | T | A | -0.2046 | |
| 315 | I | A | 0.0000 | |
| 316 | G | A | -2.2218 | |
| 317 | E | A | -2.7294 | |
| 318 | C | A | -1.5640 | |
| 319 | P | A | -0.8972 | |
| 320 | K | A | -0.8350 | |
| 321 | Y | A | -0.5888 | |
| 322 | V | A | 0.0000 | |
| 323 | K | A | -2.5614 | |
| 324 | S | A | -2.2605 | |
| 325 | N | A | -2.7170 | |
| 326 | K | A | -2.9041 | |
| 327 | L | A | 0.0000 | |
| 328 | V | A | -1.1071 | |
| 329 | L | A | 0.0000 | |
| 330 | A | A | 0.0000 | |
| 331 | T | A | 0.0000 | |
| 332 | G | A | 0.0000 | |
| 333 | L | A | -0.4387 | |
| 334 | R | A | -1.2966 | |
| 335 | N | A | -1.3406 | |
| 336 | S | A | -1.0686 | |
| 337 | P | A | -0.8803 | |
| 338 | L | A | -0.4566 | |
| 339 | R | A | -2.9908 | |
| 340 | E | A | -4.2430 | |
| 341 | K | A | -4.6098 | |
| 342 | R | A | -4.9266 | |
| 343 | R | A | -4.7483 | |
| 344 | K | A | -4.1892 | |
| 345 | R | A | -2.9089 | |
| 346 | G | A | -0.5465 | |
| 347 | L | A | 2.2433 | |
| 348 | F | A | 2.9541 | |
| 349 | G | A | 1.4991 | |
| 350 | A | A | 2.7514 | |
| 351 | I | A | 3.3829 | |
| 352 | A | A | 1.7566 | |
| 353 | G | A | 1.1946 | |
| 354 | F | A | 2.1560 | |
| 355 | I | A | 2.1414 | |
| 356 | E | A | -0.5867 | |
| 357 | G | A | -0.4098 | |
| 358 | G | A | 0.5898 | |
| 359 | W | A | 0.9046 | |
| 360 | Q | A | -0.6248 | |
| 361 | G | A | 0.1569 | |
| 362 | M | A | 1.1892 | |
| 363 | V | A | 1.1575 | |
| 364 | D | A | -0.0003 | |
| 365 | G | A | 0.3182 | |
| 366 | W | A | 1.3930 | |
| 367 | Y | A | 1.5789 | |
| 368 | G | A | 0.4924 | |
| 369 | Y | A | 0.6436 | |
| 370 | H | A | -1.0020 | |
| 371 | H | A | -1.6764 | |
| 372 | S | A | -2.3008 | |
| 373 | N | A | -3.0147 | |
| 374 | E | A | -3.2299 | |
| 375 | Q | A | -2.8348 | |
| 376 | G | A | -2.4474 | |
| 377 | S | A | -1.6614 | |
| 378 | G | A | -0.4838 | |
| 379 | Y | A | 0.3248 | |
| 380 | A | A | -0.2674 | |
| 381 | A | A | -1.5148 | |
| 382 | D | A | -3.0224 | |
| 383 | K | A | -3.7304 | |
| 384 | E | A | -3.7575 | |
| 385 | S | A | -2.7125 | |
| 386 | T | A | -2.7094 | |
| 387 | Q | A | -3.1924 | |
| 388 | K | A | -3.2115 | |
| 389 | A | A | -1.9118 | |
| 390 | I | A | 0.0000 | |
| 391 | D | A | -2.5016 | |
| 392 | G | A | -2.2151 | |
| 393 | V | A | 0.0000 | |
| 394 | T | A | -1.7777 | |
| 395 | N | A | -2.2469 | |
| 396 | K | A | -1.9712 | |
| 397 | V | A | 0.0000 | |
| 398 | N | A | -1.7909 | |
| 399 | S | A | -1.6096 | |
| 400 | I | A | -1.1545 | |
| 401 | I | A | -1.6155 | |
| 402 | D | A | -2.9051 | |
| 403 | K | A | -2.7787 | |
| 404 | M | A | -1.9636 | |
| 405 | N | A | -2.3627 | |
| 406 | T | A | -2.2532 | |
| 407 | Q | A | -2.1145 | |
| 408 | F | A | -1.4342 | |
| 409 | E | A | -2.5395 | |
| 410 | A | A | -1.7680 | |
| 411 | V | A | -1.3314 | |
| 412 | G | A | -2.2625 | |
| 413 | R | A | -3.3976 | |
| 414 | E | A | -2.9684 | |
| 415 | F | A | -1.7302 | |
| 416 | N | A | -2.8026 | |
| 417 | N | A | -2.3655 | |
| 418 | L | A | -1.0955 | |
| 419 | E | A | -3.0733 | |
| 420 | R | A | -3.8256 | |
| 421 | R | A | -3.4296 | |
| 422 | I | A | -3.2082 | |
| 423 | E | A | -4.2224 | |
| 424 | N | A | -3.8130 | |
| 425 | L | A | -3.1319 | |
| 426 | N | A | -3.7156 | |
| 427 | K | A | -4.5262 | |
| 428 | K | A | -4.1422 | |
| 429 | M | A | -3.1348 | |
| 430 | E | A | -3.9795 | |
| 431 | D | A | -3.9213 | |
| 432 | G | A | -2.1548 | |
| 433 | F | A | -0.6421 | |
| 434 | L | A | -1.2654 | |
| 435 | D | A | -1.4769 | |
| 436 | V | A | 0.8053 | |
| 437 | W | A | 0.0000 | |
| 438 | T | A | 0.0000 | |
| 439 | Y | A | 0.8516 | |
| 440 | N | A | 0.4052 | |
| 441 | A | A | 0.0000 | |
| 442 | E | A | -0.4316 | |
| 443 | L | A | 0.4851 | |
| 444 | L | A | 0.0000 | |
| 445 | V | A | 0.0000 | |
| 446 | L | A | 0.1084 | |
| 447 | M | A | 0.4627 | |
| 448 | E | A | -0.2964 | |
| 449 | N | A | 0.0000 | |
| 450 | E | A | -0.3688 | |
| 451 | R | A | -0.5051 | |
| 452 | T | A | 0.0000 | |
| 453 | L | A | 0.0000 | |
| 454 | D | A | -0.5375 | |
| 455 | F | A | 0.4910 | |
| 456 | H | A | 0.0000 | |
| 457 | D | A | -1.4317 | |
| 458 | S | A | -1.4255 | |
| 459 | N | A | -1.9848 | |
| 460 | V | A | -1.3548 | |
| 461 | K | A | -2.4966 | |
| 462 | N | A | -2.4218 | |
| 463 | L | A | -1.2253 | |
| 464 | Y | A | -1.0393 | |
| 465 | D | A | -1.5287 | |
| 466 | K | A | -1.7790 | |
| 467 | V | A | 0.0000 | |
| 468 | R | A | -1.8390 | |
| 469 | L | A | -0.2571 | |
| 470 | Q | A | -1.2807 | |
| 471 | L | A | 0.0000 | |
| 472 | K | A | -2.3745 | |
| 473 | D | A | -2.2777 | |
| 474 | N | A | 0.0000 | |
| 475 | A | A | 0.0000 | |
| 476 | K | A | -2.4081 | |
| 477 | E | A | -2.0749 | |
| 478 | L | A | -0.7199 | |
| 479 | G | A | -1.3181 | |
| 480 | N | A | -1.6850 | |
| 481 | G | A | -0.9117 | |
| 482 | C | A | 0.0000 | |
| 483 | F | A | 0.0000 | |
| 484 | E | A | -1.6446 | |
| 485 | F | A | 0.0000 | |
| 486 | Y | A | -1.6442 | |
| 487 | H | A | 0.0000 | |
| 488 | K | A | -2.3413 | |
| 489 | C | A | 0.0000 | |
| 490 | D | A | -3.4196 | |
| 491 | N | A | -3.3150 | |
| 492 | E | A | -3.7195 | |
| 493 | C | A | 0.0000 | |
| 494 | M | A | -3.0992 | |
| 495 | E | A | -4.0630 | |
| 496 | S | A | -3.1041 | |
| 497 | V | A | 0.0000 | |
| 498 | R | A | -3.4321 | |
| 499 | N | A | -2.9567 | |
| 500 | G | A | -2.2104 | |
| 501 | T | A | -1.7865 | |
| 502 | Y | A | 0.0000 | |
| 503 | D | A | -2.1583 | |
| 504 | Y | A | -1.4717 | |
| 505 | P | A | -1.6090 | |
| 506 | Q | A | -2.1901 | |
| 507 | Y | A | -2.0674 | |
| 508 | S | A | -2.3391 | |
| 509 | E | A | -3.0463 | |
| 510 | E | A | -2.9691 | |
| 511 | A | A | 0.0000 | |
| 512 | R | A | -3.0839 | |
| 513 | L | A | -1.9269 | |
| 514 | K | A | -2.5032 | |
| 515 | R | A | -2.6276 | |
| 516 | E | A | -2.6308 | |
| 517 | E | A | -2.0710 | |
| 518 | I | A | 0.1053 | |
| 519 | S | A | -0.7547 | |
| 520 | G | A | -0.6315 | |
| 521 | V | A | 0.6277 | |
| 522 | K | A | -0.6090 | |
| 523 | L | A | 0.4332 | |
| 524 | E | A | -1.1483 | |
| 525 | S | A | -0.0375 | |
| 526 | V | A | 1.6109 | |
| 527 | G | A | 0.8038 | |
| 528 | T | A | 1.2433 | |
| 529 | Y | A | 2.1721 | |
| 530 | Q | A | 1.5032 | |
| 531 | I | A | 2.6168 | |
| 532 | L | A | 3.0265 | |
| 533 | S | A | 2.1596 | |
| 534 | I | A | 3.2152 | |
| 535 | Y | A | 2.7191 | |
| 536 | S | A | 1.5843 | |
| 537 | T | A | 1.2286 | |
| 538 | A | A | 1.3829 | |
| 539 | A | A | 1.1515 | |
| 540 | S | A | 0.6563 | |
| 541 | S | A | 1.2489 | |
| 542 | L | A | 2.5547 | |
| 543 | A | A | 2.3691 | |
| 544 | L | A | 2.8159 | |
| 545 | A | A | 2.7449 | |
| 546 | I | A | 3.6254 | |
| 547 | M | A | 3.3878 | |
| 548 | M | A | 3.0454 | |
| 549 | A | A | 2.3862 | |
| 550 | G | A | 2.3577 | |
| 551 | L | A | 2.6134 | |
| 552 | S | A | 2.2047 | |
| 553 | L | A | 2.6518 | |
| 554 | W | A | 2.0990 | |
| 555 | M | A | 1.1950 | |
| 556 | C | A | 0.9796 | |
| 557 | S | A | 0.2135 | |
| 558 | N | A | -0.8226 | |
| 559 | G | A | -0.8406 | |
| 560 | S | A | -0.3042 | |
| 561 | L | A | 0.3203 | |
| 562 | Q | A | -0.7636 | |
| 563 | C | A | 0.3816 | |
| 564 | R | A | -0.3125 | |
| 565 | I | A | 1.8838 | |
| 566 | C | A | 1.6686 | |
| 567 | I | A | 1.5524 | |
| 568 | K | A | -1.1340 | |
| 569 | G | A | -1.6572 | |
| 570 | E | A | -2.3861 | |
| 571 | N | A | -1.1046 | |
| 572 | L | A | 1.4813 | |
| 573 | Y | A | 2.0418 | |
| 574 | F | A | 2.0426 | |
| 575 | Q | A | -0.1567 | |
| 576 | G | A | -1.1600 | |
| 577 | H | A | -1.9360 | |
| 578 | H | A | -2.2805 | |
| 579 | H | A | -2.4212 | |
| 580 | H | A | -2.4142 | |
| 581 | H | A | -2.1997 | |
| 582 | H | A | -1.6869 |
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 | -0.7186 | 6.23 | View | CSV | PDB |
| 4.5 | -0.7922 | 6.1935 | View | CSV | PDB |
| 5.0 | -0.8804 | 6.1416 | View | CSV | PDB |
| 5.5 | -0.9634 | 6.0831 | View | CSV | PDB |
| 6.0 | -1.0205 | 6.027 | View | CSV | PDB |
| 6.5 | -1.0387 | 5.9825 | View | CSV | PDB |
| 7.0 | -1.0213 | 5.9559 | View | CSV | PDB |
| 7.5 | -0.9825 | 5.944 | View | CSV | PDB |
| 8.0 | -0.933 | 5.9397 | View | CSV | PDB |
| 8.5 | -0.8759 | 5.9382 | View | CSV | PDB |
| 9.0 | -0.8105 | 5.9378 | 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