| Chain sequence(s) |
A: AKFVAAWTLKAAAEAAAKLTAREIAPKAAYHMREVEADFAAYVYYADVEGFAAYDVIGFPALAAAYLLVGTTLEVAAYVEGTVQFAWAAYVVYEHFGGKAAYRVRVERVALAAAYRLKDEIVAAAAYSPGCVRFVTLAAYAFLYGIAAHKAAYYPAETLPERWAAYAVLWRYALRAAYVLWRYALRLAAYEARRVVAARAAYSAEVEALEALAAYTSIEEIAQRAAYAQVETAIAVGSGATNFSLLKQAGDVEENPGPGIGNQANYAASKAGVIGGPGPGVYRLAYRLSGNQHDAEDLGPGPGRRHHRQLHRLARLTSRTSGPGPGEDLKLLGVHIFGTGPGPGGIGLAIAQRLAADGHKVGPGPGAVVAEAVAGDRNALREVGPGPGVVENLNADADVAGTQTGPGPGRRSARFRNVVGSTDQSGTGPGPGGNRHRLVLDDVLAYREARGSGATNFSLLKQAGDVEENPGPMDAMKRGLCCVLLLCGAVFVSPSGGSGGDARLGPDLQAALASLPPEFRAAVVLCDIEGLSYEEIGATLGVKLGTVRSRIHRGRQALRDYLAAHPEHGSGHHHHHH
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. (00:00:03)
[INFO] FoldX: Starting FoldX energy minimization (00:00:03)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:13:28)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/955a2ae0f498191/tmp/folded.pdb (00:13:28)
[INFO] Main: Simulation completed successfully. (00:20:26)
|
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 | A | A | 0.2946 | |
| 2 | K | A | -0.1428 | |
| 3 | F | A | 2.1337 | |
| 4 | V | A | 2.2558 | |
| 5 | A | A | 1.2179 | |
| 6 | A | A | 1.2554 | |
| 7 | W | A | 1.7767 | |
| 8 | T | A | 1.0874 | |
| 9 | L | A | 0.7860 | |
| 10 | K | A | -0.9691 | |
| 11 | A | A | -0.6645 | |
| 12 | A | A | -0.4531 | |
| 13 | A | A | -1.0024 | |
| 14 | E | A | -2.2584 | |
| 15 | A | A | -1.1240 | |
| 16 | A | A | -0.8506 | |
| 17 | A | A | -1.2095 | |
| 18 | K | A | -2.1218 | |
| 19 | L | A | -0.6055 | |
| 20 | T | A | -0.4285 | |
| 21 | A | A | -1.1757 | |
| 22 | R | A | -2.5216 | |
| 23 | E | A | -2.0858 | |
| 24 | I | A | -0.9186 | |
| 25 | A | A | -0.5973 | |
| 26 | P | A | -1.1399 | |
| 27 | K | A | -1.6293 | |
| 28 | A | A | -0.8575 | |
| 29 | A | A | -0.4867 | |
| 30 | Y | A | -0.6671 | |
| 31 | H | A | -1.4394 | |
| 32 | M | A | -1.3993 | |
| 33 | R | A | -2.7983 | |
| 34 | E | A | -2.9478 | |
| 35 | V | A | 0.0000 | |
| 36 | E | A | -2.8119 | |
| 37 | A | A | -1.9726 | |
| 38 | D | A | -1.9418 | |
| 39 | F | A | -0.5063 | |
| 40 | A | A | 0.3045 | |
| 41 | A | A | 0.8270 | |
| 42 | Y | A | 0.8920 | |
| 43 | V | A | 1.8327 | |
| 44 | Y | A | 2.2008 | |
| 45 | Y | A | 1.7502 | |
| 46 | A | A | 1.0281 | |
| 47 | D | A | -0.1725 | |
| 48 | V | A | 1.3755 | |
| 49 | E | A | 0.3254 | |
| 50 | G | A | -0.0575 | |
| 51 | F | A | 0.9701 | |
| 52 | A | A | 0.3906 | |
| 53 | A | A | 1.2800 | |
| 54 | Y | A | 2.0598 | |
| 55 | D | A | 0.6397 | |
| 56 | V | A | 2.4749 | |
| 57 | I | A | 2.9877 | |
| 58 | G | A | 1.8000 | |
| 59 | F | A | 2.0275 | |
| 60 | P | A | 1.1247 | |
| 61 | A | A | 1.3899 | |
| 62 | L | A | 1.5112 | |
| 63 | A | A | 1.2908 | |
| 64 | A | A | 1.4086 | |
| 65 | A | A | 1.5676 | |
| 66 | Y | A | 1.7176 | |
| 67 | L | A | 2.5747 | |
| 68 | L | A | 2.4047 | |
| 69 | V | A | 1.5418 | |
| 70 | G | A | 0.9784 | |
| 71 | T | A | 0.7898 | |
| 72 | T | A | 0.9334 | |
| 73 | L | A | 0.2765 | |
| 74 | E | A | -0.4525 | |
| 75 | V | A | 1.0614 | |
| 76 | A | A | 0.0000 | |
| 77 | A | A | 0.4007 | |
| 78 | Y | A | 1.1092 | |
| 79 | V | A | 0.6885 | |
| 80 | E | A | -0.0756 | |
| 81 | G | A | 0.1533 | |
| 82 | T | A | 0.3437 | |
| 83 | V | A | 0.1780 | |
| 84 | Q | A | -0.2528 | |
| 85 | F | A | 0.8976 | |
| 86 | A | A | 0.9189 | |
| 87 | W | A | 1.1678 | |
| 88 | A | A | 1.3712 | |
| 89 | A | A | 1.6319 | |
| 90 | Y | A | 1.8569 | |
| 91 | V | A | 1.8293 | |
| 92 | V | A | 2.5963 | |
| 93 | Y | A | 2.3639 | |
| 94 | E | A | 0.3943 | |
| 95 | H | A | 0.2614 | |
| 96 | F | A | 1.4194 | |
| 97 | G | A | -0.2277 | |
| 98 | G | A | -1.4288 | |
| 99 | K | A | -2.0074 | |
| 100 | A | A | -1.4688 | |
| 101 | A | A | -0.8278 | |
| 102 | Y | A | -0.2144 | |
| 103 | R | A | -1.9565 | |
| 104 | V | A | -1.3367 | |
| 105 | R | A | -1.6509 | |
| 106 | V | A | 0.0476 | |
| 107 | E | A | -1.6400 | |
| 108 | R | A | -1.3744 | |
| 109 | V | A | 1.0531 | |
| 110 | A | A | 0.5398 | |
| 111 | L | A | 0.7148 | |
| 112 | A | A | 0.3546 | |
| 113 | A | A | 0.3673 | |
| 114 | A | A | 0.4288 | |
| 115 | Y | A | -0.0330 | |
| 116 | R | A | -1.6874 | |
| 117 | L | A | -0.1955 | |
| 118 | K | A | -1.1550 | |
| 119 | D | A | -2.4242 | |
| 120 | E | A | -2.1932 | |
| 121 | I | A | -0.3500 | |
| 122 | V | A | -0.0820 | |
| 123 | A | A | -0.1584 | |
| 124 | A | A | 0.0217 | |
| 125 | A | A | 0.0000 | |
| 126 | A | A | 0.8399 | |
| 127 | Y | A | 1.3945 | |
| 128 | S | A | 0.3960 | |
| 129 | P | A | -0.1263 | |
| 130 | G | A | 0.2946 | |
| 131 | C | A | 1.3009 | |
| 132 | V | A | 1.5698 | |
| 133 | R | A | 1.2606 | |
| 134 | F | A | 2.7865 | |
| 135 | V | A | 2.8078 | |
| 136 | T | A | 0.0000 | |
| 137 | L | A | 1.7548 | |
| 138 | A | A | 1.9476 | |
| 139 | A | A | 1.6764 | |
| 140 | Y | A | 1.4891 | |
| 141 | A | A | 1.8448 | |
| 142 | F | A | 2.4955 | |
| 143 | L | A | 1.7273 | |
| 144 | Y | A | 1.3335 | |
| 145 | G | A | 0.9945 | |
| 146 | I | A | 0.7921 | |
| 147 | A | A | 0.5868 | |
| 148 | A | A | 0.3642 | |
| 149 | H | A | -0.6704 | |
| 150 | K | A | -0.6392 | |
| 151 | A | A | -0.0919 | |
| 152 | A | A | 0.3738 | |
| 153 | Y | A | 1.2233 | |
| 154 | Y | A | 0.8832 | |
| 155 | P | A | -0.2485 | |
| 156 | A | A | -0.7630 | |
| 157 | E | A | -1.8040 | |
| 158 | T | A | -0.7599 | |
| 159 | L | A | 0.5310 | |
| 160 | P | A | -0.2330 | |
| 161 | E | A | -0.9889 | |
| 162 | R | A | -0.6547 | |
| 163 | W | A | 0.8979 | |
| 164 | A | A | 0.3800 | |
| 165 | A | A | 0.4609 | |
| 166 | Y | A | 1.6418 | |
| 167 | A | A | 0.0000 | |
| 168 | V | A | 1.5030 | |
| 169 | L | A | 1.6401 | |
| 170 | W | A | 1.2944 | |
| 171 | R | A | 0.5482 | |
| 172 | Y | A | 0.4868 | |
| 173 | A | A | 0.4404 | |
| 174 | L | A | 0.2697 | |
| 175 | R | A | -0.3331 | |
| 176 | A | A | 0.1409 | |
| 177 | A | A | 0.3519 | |
| 178 | Y | A | 0.3998 | |
| 179 | V | A | 0.7009 | |
| 180 | L | A | 1.1332 | |
| 181 | W | A | 0.5010 | |
| 182 | R | A | -0.0353 | |
| 183 | Y | A | 0.3771 | |
| 184 | A | A | 0.3954 | |
| 185 | L | A | -0.0921 | |
| 186 | R | A | -1.0720 | |
| 187 | L | A | -0.0827 | |
| 188 | A | A | -0.1668 | |
| 189 | A | A | -0.2196 | |
| 190 | Y | A | 0.2894 | |
| 191 | E | A | 0.0417 | |
| 192 | A | A | 0.0309 | |
| 193 | R | A | -0.9244 | |
| 194 | R | A | -0.6313 | |
| 195 | V | A | 0.8285 | |
| 196 | V | A | 0.1953 | |
| 197 | A | A | -0.1768 | |
| 198 | A | A | 0.0179 | |
| 199 | R | A | -0.8384 | |
| 200 | A | A | -0.1451 | |
| 201 | A | A | -0.0871 | |
| 202 | Y | A | 0.0872 | |
| 203 | S | A | -0.6951 | |
| 204 | A | A | -1.1729 | |
| 205 | E | A | -1.8556 | |
| 206 | V | A | -0.9379 | |
| 207 | E | A | -2.1445 | |
| 208 | A | A | -1.2009 | |
| 209 | L | A | -0.7525 | |
| 210 | E | A | -1.5447 | |
| 211 | A | A | -0.6988 | |
| 212 | L | A | 0.1838 | |
| 213 | A | A | -0.2421 | |
| 214 | A | A | 0.1516 | |
| 215 | Y | A | 0.1089 | |
| 216 | T | A | -0.0115 | |
| 217 | S | A | -0.2713 | |
| 218 | I | A | 0.2029 | |
| 219 | E | A | -2.2132 | |
| 220 | E | A | -2.4133 | |
| 221 | I | A | -0.8518 | |
| 222 | A | A | -1.2368 | |
| 223 | Q | A | -2.0290 | |
| 224 | R | A | -1.6997 | |
| 225 | A | A | -0.9921 | |
| 226 | A | A | -0.5663 | |
| 227 | Y | A | 0.1310 | |
| 228 | A | A | -0.4406 | |
| 229 | Q | A | -0.7163 | |
| 230 | V | A | 0.2313 | |
| 231 | E | A | -0.2380 | |
| 232 | T | A | 0.3019 | |
| 233 | A | A | 0.7712 | |
| 234 | I | A | 1.6820 | |
| 235 | A | A | 1.2518 | |
| 236 | V | A | 1.8750 | |
| 237 | G | A | 0.6313 | |
| 238 | S | A | 0.1662 | |
| 239 | G | A | -0.0177 | |
| 240 | A | A | -0.0716 | |
| 241 | T | A | 0.3271 | |
| 242 | N | A | 0.4631 | |
| 243 | F | A | 1.2458 | |
| 244 | S | A | 0.1085 | |
| 245 | L | A | 0.0272 | |
| 246 | L | A | 0.3144 | |
| 247 | K | A | -1.6451 | |
| 248 | Q | A | -1.5667 | |
| 249 | A | A | -1.1066 | |
| 250 | G | A | -1.7245 | |
| 251 | D | A | -1.9080 | |
| 252 | V | A | -1.0561 | |
| 253 | E | A | -2.8212 | |
| 254 | E | A | -2.9817 | |
| 255 | N | A | -2.6215 | |
| 256 | P | A | -1.5371 | |
| 257 | G | A | -0.9818 | |
| 258 | P | A | -0.5767 | |
| 259 | G | A | -0.5034 | |
| 260 | I | A | 0.5000 | |
| 261 | G | A | -0.7162 | |
| 262 | N | A | -1.6068 | |
| 263 | Q | A | -1.1992 | |
| 264 | A | A | -0.9355 | |
| 265 | N | A | -1.4957 | |
| 266 | Y | A | -0.5574 | |
| 267 | A | A | -0.6562 | |
| 268 | A | A | 0.0479 | |
| 269 | S | A | -0.1235 | |
| 270 | K | A | -1.1489 | |
| 271 | A | A | 0.0186 | |
| 272 | G | A | 0.3452 | |
| 273 | V | A | 2.0380 | |
| 274 | I | A | 2.1550 | |
| 275 | G | A | 0.4955 | |
| 276 | G | A | -0.1155 | |
| 277 | P | A | -0.5185 | |
| 278 | G | A | -0.7045 | |
| 279 | P | A | -0.5892 | |
| 280 | G | A | -0.3902 | |
| 281 | V | A | 0.5243 | |
| 282 | Y | A | -0.4732 | |
| 283 | R | A | -1.0263 | |
| 284 | L | A | 0.8501 | |
| 285 | A | A | -0.2146 | |
| 286 | Y | A | -0.9642 | |
| 287 | R | A | -0.9957 | |
| 288 | L | A | 0.6154 | |
| 289 | S | A | -0.6866 | |
| 290 | G | A | -1.5496 | |
| 291 | N | A | -2.8547 | |
| 292 | Q | A | -3.7048 | |
| 293 | H | A | -3.8227 | |
| 294 | D | A | -3.9028 | |
| 295 | A | A | 0.0000 | |
| 296 | E | A | -3.8734 | |
| 297 | D | A | -3.7455 | |
| 298 | L | A | 0.0000 | |
| 299 | G | A | -1.6656 | |
| 300 | P | A | -1.1795 | |
| 301 | G | A | -1.5925 | |
| 302 | P | A | -1.7631 | |
| 303 | G | A | -2.5938 | |
| 304 | R | A | -3.8135 | |
| 305 | R | A | -3.9852 | |
| 306 | H | A | -3.0503 | |
| 307 | H | A | -3.4507 | |
| 308 | R | A | -3.9925 | |
| 309 | Q | A | -2.9223 | |
| 310 | L | A | -1.2943 | |
| 311 | H | A | -2.7599 | |
| 312 | R | A | -2.9437 | |
| 313 | L | A | -1.0270 | |
| 314 | A | A | -1.3895 | |
| 315 | R | A | -2.6327 | |
| 316 | L | A | -1.1903 | |
| 317 | T | A | -0.9548 | |
| 318 | S | A | -1.7731 | |
| 319 | R | A | -2.3348 | |
| 320 | T | A | -1.3352 | |
| 321 | S | A | -1.1618 | |
| 322 | G | A | -1.3031 | |
| 323 | P | A | -1.2977 | |
| 324 | G | A | -1.2830 | |
| 325 | P | A | -1.4337 | |
| 326 | G | A | -1.8534 | |
| 327 | E | A | -2.8688 | |
| 328 | D | A | -2.3225 | |
| 329 | L | A | -0.0362 | |
| 330 | K | A | -0.5772 | |
| 331 | L | A | 1.8017 | |
| 332 | L | A | 2.1712 | |
| 333 | G | A | 1.2744 | |
| 334 | V | A | 2.4407 | |
| 335 | H | A | 1.3283 | |
| 336 | I | A | 2.7594 | |
| 337 | F | A | 2.5571 | |
| 338 | G | A | 0.6597 | |
| 339 | T | A | 0.0065 | |
| 340 | G | A | -0.7737 | |
| 341 | P | A | -0.9077 | |
| 342 | G | A | -1.0749 | |
| 343 | P | A | -0.6949 | |
| 344 | G | A | -0.2080 | |
| 345 | G | A | 0.7044 | |
| 346 | I | A | 2.3703 | |
| 347 | G | A | 1.4785 | |
| 348 | L | A | 1.7765 | |
| 349 | A | A | 1.3144 | |
| 350 | I | A | 2.0443 | |
| 351 | A | A | 0.8691 | |
| 352 | Q | A | -0.8283 | |
| 353 | R | A | -1.6562 | |
| 354 | L | A | -0.7842 | |
| 355 | A | A | -1.3063 | |
| 356 | A | A | -1.7621 | |
| 357 | D | A | -2.7617 | |
| 358 | G | A | -2.0108 | |
| 359 | H | A | -2.1129 | |
| 360 | K | A | -1.7244 | |
| 361 | V | A | 0.1317 | |
| 362 | G | A | -0.2927 | |
| 363 | P | A | -0.4561 | |
| 364 | G | A | -0.6571 | |
| 365 | P | A | -0.2008 | |
| 366 | G | A | 0.2105 | |
| 367 | A | A | 0.6520 | |
| 368 | V | A | 1.9409 | |
| 369 | V | A | 2.2536 | |
| 370 | A | A | 1.1777 | |
| 371 | E | A | -0.7892 | |
| 372 | A | A | 0.6566 | |
| 373 | V | A | 1.2527 | |
| 374 | A | A | -0.5818 | |
| 375 | G | A | -1.7552 | |
| 376 | D | A | -3.0502 | |
| 377 | R | A | -3.5362 | |
| 378 | N | A | -2.9241 | |
| 379 | A | A | -1.3703 | |
| 380 | L | A | -0.4966 | |
| 381 | R | A | -2.1212 | |
| 382 | E | A | -1.6943 | |
| 383 | V | A | 0.3725 | |
| 384 | G | A | -0.4747 | |
| 385 | P | A | -0.5938 | |
| 386 | G | A | -0.5142 | |
| 387 | P | A | -0.2221 | |
| 388 | G | A | 0.4072 | |
| 389 | V | A | 1.6955 | |
| 390 | V | A | 1.4396 | |
| 391 | E | A | -0.9221 | |
| 392 | N | A | -1.0605 | |
| 393 | L | A | -0.1251 | |
| 394 | N | A | -1.4210 | |
| 395 | A | A | -1.1670 | |
| 396 | D | A | -2.2476 | |
| 397 | A | A | -1.2777 | |
| 398 | D | A | -1.2529 | |
| 399 | V | A | 0.8209 | |
| 400 | A | A | 0.3020 | |
| 401 | G | A | -0.3535 | |
| 402 | T | A | -0.8951 | |
| 403 | Q | A | -1.4765 | |
| 404 | T | A | -0.9394 | |
| 405 | G | A | -0.9890 | |
| 406 | P | A | -0.7704 | |
| 407 | G | A | -0.9093 | |
| 408 | P | A | -1.3428 | |
| 409 | G | A | -2.0716 | |
| 410 | R | A | -3.0533 | |
| 411 | R | A | -3.1494 | |
| 412 | S | A | -2.0144 | |
| 413 | A | A | -1.1062 | |
| 414 | R | A | -1.6829 | |
| 415 | F | A | 0.0734 | |
| 416 | R | A | -1.3229 | |
| 417 | N | A | -0.6812 | |
| 418 | V | A | 1.6204 | |
| 419 | V | A | 1.8070 | |
| 420 | G | A | 0.5649 | |
| 421 | S | A | -0.4073 | |
| 422 | T | A | -1.2559 | |
| 423 | D | A | -2.5702 | |
| 424 | Q | A | -2.3396 | |
| 425 | S | A | -1.5165 | |
| 426 | G | A | -1.2242 | |
| 427 | T | A | -0.6792 | |
| 428 | G | A | -0.9025 | |
| 429 | P | A | -0.9400 | |
| 430 | G | A | -1.1738 | |
| 431 | P | A | -1.4675 | |
| 432 | G | A | -1.8599 | |
| 433 | G | A | -2.3726 | |
| 434 | N | A | -2.9862 | |
| 435 | R | A | -2.9514 | |
| 436 | H | A | -2.5151 | |
| 437 | R | A | -2.8177 | |
| 438 | L | A | -1.0764 | |
| 439 | V | A | 0.1135 | |
| 440 | L | A | -0.1309 | |
| 441 | D | A | -1.4155 | |
| 442 | D | A | -1.3645 | |
| 443 | V | A | -0.0112 | |
| 444 | L | A | 0.0249 | |
| 445 | A | A | -1.1510 | |
| 446 | Y | A | -1.5836 | |
| 447 | R | A | -2.5953 | |
| 448 | E | A | -2.8257 | |
| 449 | A | A | -2.1370 | |
| 450 | R | A | -3.2166 | |
| 451 | G | A | -2.4709 | |
| 452 | S | A | -1.8899 | |
| 453 | G | A | -1.5021 | |
| 454 | A | A | -0.7707 | |
| 455 | T | A | -0.3445 | |
| 456 | N | A | 0.0194 | |
| 457 | F | A | 1.6948 | |
| 458 | S | A | 0.7711 | |
| 459 | L | A | 1.5677 | |
| 460 | L | A | 1.4363 | |
| 461 | K | A | -0.6715 | |
| 462 | Q | A | -0.9684 | |
| 463 | A | A | -0.8834 | |
| 464 | G | A | -1.5810 | |
| 465 | D | A | -1.9933 | |
| 466 | V | A | -0.9588 | |
| 467 | E | A | -2.7896 | |
| 468 | E | A | -3.1638 | |
| 469 | N | A | -2.6989 | |
| 470 | P | A | -1.9396 | |
| 471 | G | A | -1.1862 | |
| 472 | P | A | -0.8074 | |
| 473 | M | A | -0.6046 | |
| 474 | D | A | -2.0233 | |
| 475 | A | A | -1.3863 | |
| 476 | M | A | -1.0386 | |
| 477 | K | A | -2.2460 | |
| 478 | R | A | -2.1060 | |
| 479 | G | A | -0.4583 | |
| 480 | L | A | 0.8022 | |
| 481 | C | A | 1.5128 | |
| 482 | C | A | 2.0129 | |
| 483 | V | A | 2.6515 | |
| 484 | L | A | 3.5032 | |
| 485 | L | A | 3.9347 | |
| 486 | L | A | 4.0246 | |
| 487 | C | A | 3.5180 | |
| 488 | G | A | 3.1702 | |
| 489 | A | A | 3.1360 | |
| 490 | V | A | 3.4697 | |
| 491 | F | A | 3.6231 | |
| 492 | V | A | 2.9070 | |
| 493 | S | A | 1.1592 | |
| 494 | P | A | 0.0565 | |
| 495 | S | A | -0.4177 | |
| 496 | G | A | -1.0007 | |
| 497 | G | A | -1.0368 | |
| 498 | S | A | -1.1264 | |
| 499 | G | A | -1.4966 | |
| 500 | G | A | -1.9479 | |
| 501 | D | A | -2.6795 | |
| 502 | A | A | -1.7332 | |
| 503 | R | A | -2.3353 | |
| 504 | L | A | -0.7970 | |
| 505 | G | A | -1.0248 | |
| 506 | P | A | -1.3428 | |
| 507 | D | A | -1.8501 | |
| 508 | L | A | -0.6849 | |
| 509 | Q | A | -1.5184 | |
| 510 | A | A | -0.7588 | |
| 511 | A | A | 0.0000 | |
| 512 | L | A | 0.0000 | |
| 513 | A | A | -0.5930 | |
| 514 | S | A | -0.3715 | |
| 515 | L | A | 0.0000 | |
| 516 | P | A | -0.6850 | |
| 517 | P | A | -0.9121 | |
| 518 | E | A | -1.1267 | |
| 519 | F | A | -1.1813 | |
| 520 | R | A | -1.1063 | |
| 521 | A | A | -0.3848 | |
| 522 | A | A | 0.0000 | |
| 523 | V | A | 0.0000 | |
| 524 | V | A | -0.0311 | |
| 525 | L | A | -0.4818 | |
| 526 | C | A | -0.8041 | |
| 527 | D | A | -1.2360 | |
| 528 | I | A | 0.2177 | |
| 529 | E | A | -1.3434 | |
| 530 | G | A | -1.1136 | |
| 531 | L | A | -1.0273 | |
| 532 | S | A | -1.4253 | |
| 533 | Y | A | -1.6809 | |
| 534 | E | A | -2.5851 | |
| 535 | E | A | -2.4814 | |
| 536 | I | A | 0.0000 | |
| 537 | G | A | 0.0000 | |
| 538 | A | A | -1.2349 | |
| 539 | T | A | -0.5939 | |
| 540 | L | A | -0.4655 | |
| 541 | G | A | -0.5825 | |
| 542 | V | A | -0.7090 | |
| 543 | K | A | -1.9322 | |
| 544 | L | A | -1.6112 | |
| 545 | G | A | -1.3704 | |
| 546 | T | A | -1.3274 | |
| 547 | V | A | 0.0000 | |
| 548 | R | A | -2.6796 | |
| 549 | S | A | -1.8899 | |
| 550 | R | A | -2.1681 | |
| 551 | I | A | 0.0000 | |
| 552 | H | A | -2.7250 | |
| 553 | R | A | -3.0835 | |
| 554 | G | A | 0.0000 | |
| 555 | R | A | -2.7259 | |
| 556 | Q | A | -3.0212 | |
| 557 | A | A | -2.1376 | |
| 558 | L | A | 0.0000 | |
| 559 | R | A | -3.0374 | |
| 560 | D | A | -2.7082 | |
| 561 | Y | A | -1.3139 | |
| 562 | L | A | -1.0983 | |
| 563 | A | A | -1.2013 | |
| 564 | A | A | -1.0538 | |
| 565 | H | A | -1.9805 | |
| 566 | P | A | -1.8454 | |
| 567 | E | A | -2.9814 | |
| 568 | H | A | -2.4468 | |
| 569 | G | A | -1.9780 | |
| 570 | S | A | -1.6219 | |
| 571 | G | A | -1.8047 | |
| 572 | H | A | -2.2535 | |
| 573 | H | A | -2.5571 | |
| 574 | H | A | -2.7168 | |
| 575 | H | A | -2.6513 | |
| 576 | H | A | -2.3662 | |
| 577 | H | A | -1.8482 |
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 | 0.0689 | 6.1368 | View | CSV | PDB |
| 4.5 | -0.0092 | 6.1368 | View | CSV | PDB |
| 5.0 | -0.1094 | 6.1368 | View | CSV | PDB |
| 5.5 | -0.2115 | 6.1368 | View | CSV | PDB |
| 6.0 | -0.2972 | 6.1368 | View | CSV | PDB |
| 6.5 | -0.3582 | 6.1368 | View | CSV | PDB |
| 7.0 | -0.3952 | 6.1368 | View | CSV | PDB |
| 7.5 | -0.4147 | 6.1368 | View | CSV | PDB |
| 8.0 | -0.4242 | 6.1368 | View | CSV | PDB |
| 8.5 | -0.4263 | 6.1368 | View | CSV | PDB |
| 9.0 | -0.4192 | 6.1368 | 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