| Chain sequence(s) |
A: MAQVQLVESGGGVVQPGRSLRLSCSSSGFIFSDNYMYWVRQAPGKGLEWVATISDGGSYTYYPDSVKGRFTISRDNSKNTLFLQMDSLRPEDTGVYFCARGYYRYEGAMDYWGQGTPVTVSSGGGGSGGGGSGGGGSDIQLTQSPSSLSASVGDRVTITCKSSQSVLYSSNQKNYLAWYQQKPGKAPKLLIYWASTRESGVPSRFSGSGSGTDFTFTISSLQPEDIATYYCHQYLSSWTFGQGTKLEIKAAAGGGGSGGGGSGGGGSMVSKGEMVSKGEEDNMAIIKEFMRFKVHMEGSVNGHEFEIEGEGEGRPYEGTQTAKLKVTKGGPLPFAWDILSPQFMYGSKAYVKHPADIPDYLKLSFPEGFKWERVMNFEDGGVVTVTQDSSLQDGEFIYKVKLRGTNFPSDGPVMQKKTMGWEASSERMYPEDGALKGEIKQRLKLKDGGHYDAEVKTTYKAKKPVQLPGAYNVNIKLDITSHNEDYTIVEQYERAEGRHSTGGMDELYK
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 (00:12:28)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/6669fa8a6e9882/tmp/folded.pdb (00:12:28)
[INFO] Main: Simulation completed successfully. (00:14:52)
|
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 | 0.8323 | |
| 2 | A | A | -0.0547 | |
| 3 | Q | A | -0.9720 | |
| 4 | V | A | -0.1461 | |
| 5 | Q | A | -0.7779 | |
| 6 | L | A | 0.0000 | |
| 7 | V | A | 0.2147 | |
| 8 | E | A | 0.0000 | |
| 9 | S | A | -0.5507 | |
| 10 | G | A | -1.0593 | |
| 11 | G | A | -0.4653 | |
| 12 | G | A | 0.2561 | |
| 13 | V | A | 1.3554 | |
| 14 | V | A | 0.0000 | |
| 15 | Q | A | -1.8713 | |
| 16 | P | A | -2.1436 | |
| 17 | G | A | -2.2585 | |
| 18 | R | A | -2.8903 | |
| 19 | S | A | -2.2638 | |
| 20 | L | A | -1.4926 | |
| 21 | R | A | -2.1705 | |
| 22 | L | A | 0.0000 | |
| 23 | S | A | -0.5404 | |
| 24 | C | A | 0.0000 | |
| 25 | S | A | -0.5701 | |
| 26 | S | A | 0.0000 | |
| 27 | S | A | -0.4416 | |
| 28 | G | A | 0.1039 | |
| 29 | F | A | 0.7147 | |
| 30 | I | A | 1.3792 | |
| 31 | F | A | 0.0000 | |
| 32 | S | A | -0.7931 | |
| 33 | D | A | -1.0069 | |
| 34 | N | A | 0.0000 | |
| 35 | Y | A | 0.0143 | |
| 36 | M | A | 0.0000 | |
| 37 | Y | A | 0.0000 | |
| 38 | W | A | 0.0000 | |
| 39 | V | A | 0.0000 | |
| 40 | R | A | 0.0000 | |
| 41 | Q | A | -0.8071 | |
| 42 | A | A | -1.2251 | |
| 43 | P | A | -0.9675 | |
| 44 | G | A | -1.4496 | |
| 45 | K | A | -2.3728 | |
| 46 | G | A | -1.6123 | |
| 47 | L | A | 0.0000 | |
| 48 | E | A | -1.0626 | |
| 49 | W | A | 0.0000 | |
| 50 | V | A | 0.0000 | |
| 51 | A | A | 0.0000 | |
| 52 | T | A | 0.0000 | |
| 53 | I | A | 0.0000 | |
| 54 | S | A | 0.0000 | |
| 55 | D | A | 0.0000 | |
| 56 | G | A | -1.0340 | |
| 57 | G | A | -0.6047 | |
| 58 | S | A | -0.5798 | |
| 59 | Y | A | -0.0013 | |
| 60 | T | A | 0.1669 | |
| 61 | Y | A | -0.0282 | |
| 62 | Y | A | -0.8016 | |
| 63 | P | A | -1.6653 | |
| 64 | D | A | -2.7328 | |
| 65 | S | A | -1.9520 | |
| 66 | V | A | 0.0000 | |
| 67 | K | A | -2.6088 | |
| 68 | G | A | -1.8045 | |
| 69 | R | A | -1.5884 | |
| 70 | F | A | 0.0000 | |
| 71 | T | A | -0.8532 | |
| 72 | I | A | 0.0000 | |
| 73 | S | A | -0.3385 | |
| 74 | R | A | -1.0066 | |
| 75 | D | A | -1.5615 | |
| 76 | N | A | -1.7019 | |
| 77 | S | A | -1.6106 | |
| 78 | K | A | -2.4682 | |
| 79 | N | A | -1.6214 | |
| 80 | T | A | -1.1884 | |
| 81 | L | A | 0.0000 | |
| 82 | F | A | -0.4545 | |
| 83 | L | A | 0.0000 | |
| 84 | Q | A | -1.2981 | |
| 85 | M | A | 0.0000 | |
| 86 | D | A | -2.1834 | |
| 87 | S | A | -1.8951 | |
| 88 | L | A | 0.0000 | |
| 89 | R | A | -2.5715 | |
| 90 | P | A | -2.0025 | |
| 91 | E | A | -2.5887 | |
| 92 | D | A | 0.0000 | |
| 93 | T | A | -0.7092 | |
| 94 | G | A | 0.0000 | |
| 95 | V | A | 0.1659 | |
| 96 | Y | A | 0.0000 | |
| 97 | F | A | 0.0000 | |
| 98 | C | A | 0.0000 | |
| 99 | A | A | 0.0000 | |
| 100 | R | A | 0.0000 | |
| 101 | G | A | 0.0000 | |
| 102 | Y | A | 0.1415 | |
| 103 | Y | A | 0.1812 | |
| 104 | R | A | -1.1843 | |
| 105 | Y | A | -0.4453 | |
| 106 | E | A | -0.3398 | |
| 107 | G | A | -0.0377 | |
| 108 | A | A | 0.0000 | |
| 109 | M | A | 0.0000 | |
| 110 | D | A | -0.0385 | |
| 111 | Y | A | 0.4002 | |
| 112 | W | A | -0.2690 | |
| 113 | G | A | 0.0000 | |
| 114 | Q | A | -1.5477 | |
| 115 | G | A | -0.7330 | |
| 116 | T | A | 0.0000 | |
| 117 | P | A | -0.0834 | |
| 118 | V | A | 0.0000 | |
| 119 | T | A | -0.0109 | |
| 120 | V | A | 0.0000 | |
| 121 | S | A | -0.9107 | |
| 122 | S | A | -1.3372 | |
| 123 | G | A | -1.1747 | |
| 124 | G | A | -1.0944 | |
| 125 | G | A | -1.1646 | |
| 126 | G | A | -1.1424 | |
| 127 | S | A | -0.9264 | |
| 128 | G | A | -1.3653 | |
| 129 | G | A | -1.4067 | |
| 130 | G | A | -1.4524 | |
| 131 | G | A | -1.3716 | |
| 132 | S | A | -1.2534 | |
| 133 | G | A | -1.1891 | |
| 134 | G | A | -1.7136 | |
| 135 | G | A | -1.5191 | |
| 136 | G | A | -1.8320 | |
| 137 | S | A | -1.6128 | |
| 138 | D | A | -2.3331 | |
| 139 | I | A | 0.0000 | |
| 140 | Q | A | -2.1706 | |
| 141 | L | A | 0.0000 | |
| 142 | T | A | -1.2867 | |
| 143 | Q | A | 0.0000 | |
| 144 | S | A | -0.5991 | |
| 145 | P | A | -0.3933 | |
| 146 | S | A | -0.7292 | |
| 147 | S | A | -0.8075 | |
| 148 | L | A | -0.6069 | |
| 149 | S | A | -0.9636 | |
| 150 | A | A | 0.0000 | |
| 151 | S | A | -0.6999 | |
| 152 | V | A | 0.2559 | |
| 153 | G | A | -0.8050 | |
| 154 | D | A | -1.6268 | |
| 155 | R | A | -2.2925 | |
| 156 | V | A | 0.0000 | |
| 157 | T | A | -0.5981 | |
| 158 | I | A | 0.0000 | |
| 159 | T | A | -0.7675 | |
| 160 | C | A | 0.0000 | |
| 161 | K | A | -2.4151 | |
| 162 | S | A | 0.0000 | |
| 163 | S | A | -1.9451 | |
| 164 | Q | A | -2.0967 | |
| 165 | S | A | -0.9885 | |
| 166 | V | A | 0.0000 | |
| 167 | L | A | -0.2475 | |
| 168 | Y | A | -0.3424 | |
| 169 | S | A | -0.6948 | |
| 170 | S | A | -0.6086 | |
| 171 | N | A | -1.0356 | |
| 172 | Q | A | -1.5545 | |
| 173 | K | A | -1.1311 | |
| 174 | N | A | 0.0000 | |
| 175 | Y | A | 0.0000 | |
| 176 | L | A | 0.0000 | |
| 177 | A | A | 0.0000 | |
| 178 | W | A | 0.0000 | |
| 179 | Y | A | 0.0000 | |
| 180 | Q | A | 0.0000 | |
| 181 | Q | A | 0.0000 | |
| 182 | K | A | -1.5953 | |
| 183 | P | A | -1.1628 | |
| 184 | G | A | -1.7326 | |
| 185 | K | A | -2.6514 | |
| 186 | A | A | -1.6116 | |
| 187 | P | A | 0.0000 | |
| 188 | K | A | -1.4087 | |
| 189 | L | A | 0.0000 | |
| 190 | L | A | 0.0000 | |
| 191 | I | A | 0.0000 | |
| 192 | Y | A | -0.2343 | |
| 193 | W | A | -0.2933 | |
| 194 | A | A | 0.0000 | |
| 195 | S | A | -0.6382 | |
| 196 | T | A | -0.6571 | |
| 197 | R | A | -1.1598 | |
| 198 | E | A | -0.9907 | |
| 199 | S | A | -0.7236 | |
| 200 | G | A | -0.7220 | |
| 201 | V | A | -0.6753 | |
| 202 | P | A | -0.5428 | |
| 203 | S | A | -0.6101 | |
| 204 | R | A | -0.7691 | |
| 205 | F | A | 0.0000 | |
| 206 | S | A | -0.5569 | |
| 207 | G | A | 0.0000 | |
| 208 | S | A | -0.6338 | |
| 209 | G | A | -0.9688 | |
| 210 | S | A | -0.9028 | |
| 211 | G | A | -0.9745 | |
| 212 | T | A | -1.5904 | |
| 213 | D | A | -2.2383 | |
| 214 | F | A | 0.0000 | |
| 215 | T | A | -0.7361 | |
| 216 | F | A | 0.0000 | |
| 217 | T | A | -0.5780 | |
| 218 | I | A | 0.0000 | |
| 219 | S | A | -1.3325 | |
| 220 | S | A | -1.2051 | |
| 221 | L | A | 0.0000 | |
| 222 | Q | A | -0.6937 | |
| 223 | P | A | -0.6298 | |
| 224 | E | A | -1.0666 | |
| 225 | D | A | 0.0000 | |
| 226 | I | A | -0.3008 | |
| 227 | A | A | 0.0000 | |
| 228 | T | A | -0.7006 | |
| 229 | Y | A | 0.0000 | |
| 230 | Y | A | 0.0000 | |
| 231 | C | A | 0.0000 | |
| 232 | H | A | 0.0000 | |
| 233 | Q | A | 0.0000 | |
| 234 | Y | A | 0.0000 | |
| 235 | L | A | 0.2600 | |
| 236 | S | A | -0.3128 | |
| 237 | S | A | -0.4207 | |
| 238 | W | A | -0.2335 | |
| 239 | T | A | -0.6964 | |
| 240 | F | A | 0.0000 | |
| 241 | G | A | 0.0000 | |
| 242 | Q | A | -1.5884 | |
| 243 | G | A | 0.0000 | |
| 244 | T | A | 0.0000 | |
| 245 | K | A | -1.2731 | |
| 246 | L | A | 0.0000 | |
| 247 | E | A | -1.5121 | |
| 248 | I | A | -0.7888 | |
| 249 | K | A | -1.4697 | |
| 250 | A | A | -0.6666 | |
| 251 | A | A | -0.2722 | |
| 252 | A | A | -0.5758 | |
| 253 | G | A | -0.7900 | |
| 254 | G | A | -1.0183 | |
| 255 | G | A | -1.0581 | |
| 256 | G | A | -1.0690 | |
| 257 | S | A | -0.8945 | |
| 258 | G | A | -1.0180 | |
| 259 | G | A | -1.1006 | |
| 260 | G | A | -1.1042 | |
| 261 | G | A | -1.0080 | |
| 262 | S | A | -0.9040 | |
| 263 | G | A | -1.0439 | |
| 264 | G | A | -1.1084 | |
| 265 | G | A | -1.0782 | |
| 266 | G | A | -0.4599 | |
| 267 | S | A | 0.3875 | |
| 268 | M | A | 1.4817 | |
| 269 | V | A | 1.6175 | |
| 270 | S | A | -0.0343 | |
| 271 | K | A | -1.7695 | |
| 272 | G | A | -1.7225 | |
| 273 | E | A | -1.4963 | |
| 274 | M | A | 0.4866 | |
| 275 | V | A | 1.2534 | |
| 276 | S | A | -0.4481 | |
| 277 | K | A | -2.1664 | |
| 278 | G | A | -2.6794 | |
| 279 | E | A | -4.0222 | |
| 280 | E | A | -4.1211 | |
| 281 | D | A | -3.4648 | |
| 282 | N | A | -2.2923 | |
| 283 | M | A | -0.1079 | |
| 284 | A | A | 0.4242 | |
| 285 | I | A | 1.2706 | |
| 286 | I | A | 0.0000 | |
| 287 | K | A | -0.3190 | |
| 288 | E | A | -0.7327 | |
| 289 | F | A | -0.5792 | |
| 290 | M | A | 0.0000 | |
| 291 | R | A | -1.5090 | |
| 292 | F | A | 0.0000 | |
| 293 | K | A | -2.6667 | |
| 294 | V | A | 0.0000 | |
| 295 | H | A | -2.4573 | |
| 296 | M | A | 0.0000 | |
| 297 | E | A | -3.8740 | |
| 298 | G | A | 0.0000 | |
| 299 | S | A | -2.6427 | |
| 300 | V | A | 0.0000 | |
| 301 | N | A | -1.9403 | |
| 302 | G | A | -1.8693 | |
| 303 | H | A | -1.9303 | |
| 304 | E | A | -3.2931 | |
| 305 | F | A | 0.0000 | |
| 306 | E | A | -3.2322 | |
| 307 | I | A | 0.0000 | |
| 308 | E | A | -3.1665 | |
| 309 | G | A | 0.0000 | |
| 310 | E | A | -3.3587 | |
| 311 | G | A | 0.0000 | |
| 312 | E | A | -1.3184 | |
| 313 | G | A | 0.0000 | |
| 314 | R | A | -1.3994 | |
| 315 | P | A | 0.0000 | |
| 316 | Y | A | -0.9072 | |
| 317 | E | A | -1.5331 | |
| 318 | G | A | 0.0000 | |
| 319 | T | A | 0.0000 | |
| 320 | Q | A | 0.0000 | |
| 321 | T | A | -1.0478 | |
| 322 | A | A | 0.0000 | |
| 323 | K | A | -3.0166 | |
| 324 | L | A | 0.0000 | |
| 325 | K | A | -2.2402 | |
| 326 | V | A | 0.0000 | |
| 327 | T | A | -1.9582 | |
| 328 | K | A | -3.0478 | |
| 329 | G | A | -2.0284 | |
| 330 | G | A | -1.6190 | |
| 331 | P | A | -1.0652 | |
| 332 | L | A | 0.0000 | |
| 333 | P | A | -0.7934 | |
| 334 | F | A | 0.0000 | |
| 335 | A | A | 0.0000 | |
| 336 | W | A | 0.0000 | |
| 337 | D | A | 0.0000 | |
| 338 | I | A | 0.0000 | |
| 339 | L | A | 0.0000 | |
| 340 | S | A | 0.0000 | |
| 341 | P | A | 0.0000 | |
| 342 | Q | A | 0.0000 | |
| 343 | F | A | 0.0000 | |
| 344 | M | A | 0.0000 | |
| 345 | Y | A | 0.0000 | |
| 346 | G | A | 0.0000 | |
| 347 | S | A | 0.0000 | |
| 348 | K | A | 0.0000 | |
| 349 | A | A | 0.0000 | |
| 350 | Y | A | 0.0000 | |
| 351 | V | A | 0.0000 | |
| 352 | K | A | -1.6772 | |
| 353 | H | A | -1.3607 | |
| 354 | P | A | -1.2482 | |
| 355 | A | A | -1.0637 | |
| 356 | D | A | -1.9507 | |
| 357 | I | A | 0.0000 | |
| 358 | P | A | -0.6654 | |
| 359 | D | A | -0.2974 | |
| 360 | Y | A | 0.0000 | |
| 361 | L | A | 0.0000 | |
| 362 | K | A | 0.0000 | |
| 363 | L | A | 1.1558 | |
| 364 | S | A | 0.0000 | |
| 365 | F | A | 0.0000 | |
| 366 | P | A | -0.6385 | |
| 367 | E | A | -1.6697 | |
| 368 | G | A | 0.0000 | |
| 369 | F | A | 0.0000 | |
| 370 | K | A | -2.1631 | |
| 371 | W | A | 0.0000 | |
| 372 | E | A | -1.9467 | |
| 373 | R | A | 0.0000 | |
| 374 | V | A | -0.3277 | |
| 375 | M | A | 0.0000 | |
| 376 | N | A | -1.9040 | |
| 377 | F | A | 0.0000 | |
| 378 | E | A | -2.6500 | |
| 379 | D | A | -2.0007 | |
| 380 | G | A | -1.5260 | |
| 381 | G | A | 0.0000 | |
| 382 | V | A | -0.9692 | |
| 383 | V | A | 0.0000 | |
| 384 | T | A | -0.9714 | |
| 385 | V | A | 0.0000 | |
| 386 | T | A | -1.8223 | |
| 387 | Q | A | 0.0000 | |
| 388 | D | A | -2.4761 | |
| 389 | S | A | 0.0000 | |
| 390 | S | A | -1.2902 | |
| 391 | L | A | -1.2678 | |
| 392 | Q | A | -2.4934 | |
| 393 | D | A | -2.6180 | |
| 394 | G | A | -1.7021 | |
| 395 | E | A | -2.0985 | |
| 396 | F | A | 0.0000 | |
| 397 | I | A | -1.4985 | |
| 398 | Y | A | 0.0000 | |
| 399 | K | A | -2.4955 | |
| 400 | V | A | 0.0000 | |
| 401 | K | A | -3.3994 | |
| 402 | L | A | 0.0000 | |
| 403 | R | A | -2.7805 | |
| 404 | G | A | 0.0000 | |
| 405 | T | A | -1.3887 | |
| 406 | N | A | -1.6064 | |
| 407 | F | A | 0.0000 | |
| 408 | P | A | -1.4954 | |
| 409 | S | A | -1.5813 | |
| 410 | D | A | -2.3298 | |
| 411 | G | A | -1.6855 | |
| 412 | P | A | -1.7815 | |
| 413 | V | A | 0.0000 | |
| 414 | M | A | -1.4844 | |
| 415 | Q | A | -2.3678 | |
| 416 | K | A | -2.0971 | |
| 417 | K | A | -2.1624 | |
| 418 | T | A | 0.0000 | |
| 419 | M | A | -0.4305 | |
| 420 | G | A | -0.5015 | |
| 421 | W | A | 0.0000 | |
| 422 | E | A | -2.5114 | |
| 423 | A | A | -1.8603 | |
| 424 | S | A | -1.4207 | |
| 425 | S | A | -1.2020 | |
| 426 | E | A | 0.0000 | |
| 427 | R | A | -1.7030 | |
| 428 | M | A | 0.0000 | |
| 429 | Y | A | -0.8436 | |
| 430 | P | A | -1.2963 | |
| 431 | E | A | -2.7960 | |
| 432 | D | A | -2.9115 | |
| 433 | G | A | -2.1622 | |
| 434 | A | A | 0.0000 | |
| 435 | L | A | 0.0000 | |
| 436 | K | A | -1.7936 | |
| 437 | G | A | 0.0000 | |
| 438 | E | A | -2.1423 | |
| 439 | I | A | 0.0000 | |
| 440 | K | A | -2.9637 | |
| 441 | Q | A | 0.0000 | |
| 442 | R | A | -2.3968 | |
| 443 | L | A | 0.0000 | |
| 444 | K | A | -1.8139 | |
| 445 | L | A | -1.9832 | |
| 446 | K | A | -2.9245 | |
| 447 | D | A | -2.9778 | |
| 448 | G | A | -1.9960 | |
| 449 | G | A | -1.6745 | |
| 450 | H | A | -1.6272 | |
| 451 | Y | A | 0.0000 | |
| 452 | D | A | -2.2086 | |
| 453 | A | A | 0.0000 | |
| 454 | E | A | -2.8944 | |
| 455 | V | A | 0.0000 | |
| 456 | K | A | -1.9316 | |
| 457 | T | A | 0.0000 | |
| 458 | T | A | -1.5252 | |
| 459 | Y | A | 0.0000 | |
| 460 | K | A | -1.8820 | |
| 461 | A | A | 0.0000 | |
| 462 | K | A | -1.9856 | |
| 463 | K | A | -1.2982 | |
| 464 | P | A | -0.7623 | |
| 465 | V | A | -0.4662 | |
| 466 | Q | A | -0.9665 | |
| 467 | L | A | -0.7863 | |
| 468 | P | A | 0.0000 | |
| 469 | G | A | -0.6935 | |
| 470 | A | A | -0.7804 | |
| 471 | Y | A | 0.0000 | |
| 472 | N | A | -1.2858 | |
| 473 | V | A | 0.0000 | |
| 474 | N | A | -1.3907 | |
| 475 | I | A | 0.0000 | |
| 476 | K | A | -2.4221 | |
| 477 | L | A | 0.0000 | |
| 478 | D | A | -1.6245 | |
| 479 | I | A | -0.4546 | |
| 480 | T | A | -0.7971 | |
| 481 | S | A | -1.1545 | |
| 482 | H | A | -1.6319 | |
| 483 | N | A | -1.6123 | |
| 484 | E | A | -2.3762 | |
| 485 | D | A | -1.7378 | |
| 486 | Y | A | -0.9153 | |
| 487 | T | A | -0.9361 | |
| 488 | I | A | -1.0604 | |
| 489 | V | A | 0.0000 | |
| 490 | E | A | -1.8900 | |
| 491 | Q | A | 0.0000 | |
| 492 | Y | A | -0.7143 | |
| 493 | E | A | 0.0000 | |
| 494 | R | A | -1.9630 | |
| 495 | A | A | 0.0000 | |
| 496 | E | A | -1.6472 | |
| 497 | G | A | 0.0000 | |
| 498 | R | A | -1.6997 | |
| 499 | H | A | -1.7967 | |
| 500 | S | A | -1.2602 | |
| 501 | T | A | -0.6942 | |
| 502 | G | A | -0.9151 | |
| 503 | G | A | -0.9555 | |
| 504 | M | A | -0.3448 | |
| 505 | D | A | -2.0095 | |
| 506 | E | A | -1.8014 | |
| 507 | L | A | 0.5334 | |
| 508 | Y | A | 0.3087 | |
| 509 | K | A | -1.4215 |
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 | -0.7552 | 2.7154 | View | CSV | PDB |
| 4.5 | -0.8114 | 2.6048 | View | CSV | PDB |
| 5.0 | -0.8805 | 2.4812 | View | CSV | PDB |
| 5.5 | -0.9497 | 2.353 | View | CSV | PDB |
| 6.0 | -1.0044 | 2.2597 | View | CSV | PDB |
| 6.5 | -1.0321 | 2.2725 | View | CSV | PDB |
| 7.0 | -1.0309 | 2.2922 | View | CSV | PDB |
| 7.5 | -1.0096 | 2.3161 | View | CSV | PDB |
| 8.0 | -0.9776 | 2.3419 | View | CSV | PDB |
| 8.5 | -0.9383 | 2.3682 | View | CSV | PDB |
| 9.0 | -0.8919 | 2.3946 | 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