| Chain sequence(s) |
A: APTATLANGDTITGLNAIINEAFLGIPFAEPPVGNLRFKDPVPYSGSLDGQKFTSYGPSCMQQNPEGTYEENLPKAALDLVMQSKVFEAVSPSSEDCLTINVVRPPGTKAGANLPVMLWIFGGGFEVGGTSTFPPAQMITKSIAMGKPIIHVSVNYRVSSWGFLAGDEIKAEGSANAGLKDQRLGMQWVADNIAAFGGDPTKVTIFGESAGSMSVMCHILWNDGDNTYKGKPLFRAGIMQSGAMVPSDAVDGIYGNEIFDLLASNAGCGSASDKLACLRGVSSDTLEDATNNTPGFLAYSSLRLSYLPRPDGVNITDDMYALVREGKYANIPVIIGDQNDEGTFFGTSSLNVTTDAQAREYFKQSFVHASDAEIDTLMTAYPGDITQGSPFDTGILNALTPQFKRISAVLGDLGFTLARRYFLNHYTGGTKYSFLSKQLSGLPVLGTFHSNDIVFQDYLLGSGSLIYNNAFIAFATDLDPNTAGLLVKWPEYTSSSQSGNNLMMINALGLYTGKDNFRTAGYDALFSNPPSFFV
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] (00:00:02)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:02)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with A chain(s) selected (00:00:02)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:02)
[INFO] PDB-Info: The input structure is globular. Max score is recommended for pH analysis. (00:00:05)
[INFO] FoldX: Starting FoldX energy minimization (00:00:06)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:06:04)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/9ee244403be2a5/tmp/folded.pdb (00:06:04)
[INFO] Main: Simulation completed successfully. (00:13:39)
|
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 | -0.4068 | |
| 2 | P | A | 0.0000 | |
| 3 | T | A | -0.4738 | |
| 4 | A | A | 0.0000 | |
| 5 | T | A | -0.7961 | |
| 6 | L | A | 0.0000 | |
| 7 | A | A | -0.9461 | |
| 8 | N | A | -1.8838 | |
| 9 | G | A | -1.5477 | |
| 10 | D | A | -1.9484 | |
| 11 | T | A | -1.7140 | |
| 12 | I | A | 0.0000 | |
| 13 | T | A | 0.0000 | |
| 14 | G | A | 0.0000 | |
| 15 | L | A | -0.3798 | |
| 16 | N | A | -0.3862 | |
| 17 | A | A | 0.8793 | |
| 18 | I | A | 2.3308 | |
| 19 | I | A | 2.0907 | |
| 20 | N | A | 0.0000 | |
| 21 | E | A | -0.0105 | |
| 22 | A | A | 0.0000 | |
| 23 | F | A | 0.0000 | |
| 24 | L | A | 0.0000 | |
| 25 | G | A | -0.2296 | |
| 26 | I | A | 0.0000 | |
| 27 | P | A | -0.2641 | |
| 28 | F | A | 0.0000 | |
| 29 | A | A | 0.1105 | |
| 30 | E | A | 0.1436 | |
| 31 | P | A | -0.1135 | |
| 32 | P | A | 0.0000 | |
| 33 | V | A | -0.0131 | |
| 34 | G | A | -0.3382 | |
| 35 | N | A | -0.9783 | |
| 36 | L | A | 0.2584 | |
| 37 | R | A | 0.0000 | |
| 38 | F | A | 0.0000 | |
| 39 | K | A | -1.7272 | |
| 40 | D | A | -1.2975 | |
| 41 | P | A | -0.0321 | |
| 42 | V | A | 1.2886 | |
| 43 | P | A | 0.5996 | |
| 44 | Y | A | 0.6155 | |
| 45 | S | A | -0.0902 | |
| 46 | G | A | -0.5628 | |
| 47 | S | A | -1.2448 | |
| 48 | L | A | -1.9596 | |
| 49 | D | A | -2.9961 | |
| 50 | G | A | -2.3539 | |
| 51 | Q | A | -2.8000 | |
| 52 | K | A | -2.5690 | |
| 53 | F | A | 0.0000 | |
| 54 | T | A | -0.7256 | |
| 55 | S | A | -0.2423 | |
| 56 | Y | A | 0.2034 | |
| 57 | G | A | -0.2962 | |
| 58 | P | A | -0.6852 | |
| 59 | S | A | 0.0000 | |
| 60 | C | A | 0.0000 | |
| 61 | M | A | 0.0000 | |
| 62 | Q | A | -0.0706 | |
| 63 | Q | A | 0.0000 | |
| 64 | N | A | 0.0000 | |
| 65 | P | A | 0.3644 | |
| 66 | E | A | -0.4720 | |
| 67 | G | A | 0.0000 | |
| 68 | T | A | -0.8244 | |
| 69 | Y | A | -0.5407 | |
| 70 | E | A | -2.3760 | |
| 71 | E | A | -2.3378 | |
| 72 | N | A | -1.0223 | |
| 73 | L | A | 0.7423 | |
| 74 | P | A | 0.1840 | |
| 75 | K | A | -0.3172 | |
| 76 | A | A | 0.4332 | |
| 77 | A | A | 0.9801 | |
| 78 | L | A | 0.8783 | |
| 79 | D | A | 0.2853 | |
| 80 | L | A | 1.4614 | |
| 81 | V | A | 1.5127 | |
| 82 | M | A | 0.3547 | |
| 83 | Q | A | -0.9686 | |
| 84 | S | A | -0.2035 | |
| 85 | K | A | -0.8780 | |
| 86 | V | A | 1.2363 | |
| 87 | F | A | 0.9975 | |
| 88 | E | A | -0.6526 | |
| 89 | A | A | 0.5990 | |
| 90 | V | A | 1.7457 | |
| 91 | S | A | 0.6446 | |
| 92 | P | A | -0.4178 | |
| 93 | S | A | -0.6651 | |
| 94 | S | A | -0.9103 | |
| 95 | E | A | 0.0000 | |
| 96 | D | A | -1.7978 | |
| 97 | C | A | 0.0000 | |
| 98 | L | A | 0.0000 | |
| 99 | T | A | -0.2571 | |
| 100 | I | A | 0.0000 | |
| 101 | N | A | 0.0000 | |
| 102 | V | A | 0.0000 | |
| 103 | V | A | 0.0000 | |
| 104 | R | A | 0.0000 | |
| 105 | P | A | 0.0000 | |
| 106 | P | A | 0.1057 | |
| 107 | G | A | -0.7393 | |
| 108 | T | A | 0.0000 | |
| 109 | K | A | -2.0854 | |
| 110 | A | A | -1.1988 | |
| 111 | G | A | -1.2407 | |
| 112 | A | A | -1.3387 | |
| 113 | N | A | -1.6515 | |
| 114 | L | A | -0.8567 | |
| 115 | P | A | -0.6540 | |
| 116 | V | A | 0.0000 | |
| 117 | M | A | 0.0000 | |
| 118 | L | A | 0.0000 | |
| 119 | W | A | 0.1671 | |
| 120 | I | A | 0.0000 | |
| 121 | F | A | 0.2353 | |
| 122 | G | A | 0.0000 | |
| 123 | G | A | -0.1688 | |
| 124 | G | A | -0.2505 | |
| 125 | F | A | 0.0000 | |
| 126 | E | A | 0.1832 | |
| 127 | V | A | 0.3666 | |
| 128 | G | A | 0.0003 | |
| 129 | G | A | 0.0000 | |
| 130 | T | A | 0.0000 | |
| 131 | S | A | -0.0957 | |
| 132 | T | A | 0.0636 | |
| 133 | F | A | 0.6051 | |
| 134 | P | A | -0.1555 | |
| 135 | P | A | -0.4254 | |
| 136 | A | A | -0.3611 | |
| 137 | Q | A | -1.1273 | |
| 138 | M | A | 0.0000 | |
| 139 | I | A | 0.0000 | |
| 140 | T | A | 0.1520 | |
| 141 | K | A | -0.3780 | |
| 142 | S | A | 0.0000 | |
| 143 | I | A | 0.8855 | |
| 144 | A | A | 0.3272 | |
| 145 | M | A | -0.0069 | |
| 146 | G | A | -0.2458 | |
| 147 | K | A | -0.4543 | |
| 148 | P | A | -0.1198 | |
| 149 | I | A | 0.0000 | |
| 150 | I | A | 0.0000 | |
| 151 | H | A | 0.0000 | |
| 152 | V | A | 0.0000 | |
| 153 | S | A | 0.0765 | |
| 154 | V | A | 0.0000 | |
| 155 | N | A | 0.0000 | |
| 156 | Y | A | 0.0000 | |
| 157 | R | A | 0.0000 | |
| 158 | V | A | 0.0000 | |
| 159 | S | A | 0.0000 | |
| 160 | S | A | 0.0000 | |
| 161 | W | A | 0.0000 | |
| 162 | G | A | 0.0000 | |
| 163 | F | A | 0.0000 | |
| 164 | L | A | 0.0000 | |
| 165 | A | A | 0.0000 | |
| 166 | G | A | 0.0000 | |
| 167 | D | A | -2.0817 | |
| 168 | E | A | -2.0400 | |
| 169 | I | A | 0.0000 | |
| 170 | K | A | -1.5014 | |
| 171 | A | A | -1.0664 | |
| 172 | E | A | -1.3363 | |
| 173 | G | A | -0.9665 | |
| 174 | S | A | 0.0000 | |
| 175 | A | A | 0.0000 | |
| 176 | N | A | 0.0000 | |
| 177 | A | A | 0.0000 | |
| 178 | G | A | 0.0000 | |
| 179 | L | A | 0.0000 | |
| 180 | K | A | 0.0000 | |
| 181 | D | A | 0.0000 | |
| 182 | Q | A | 0.0000 | |
| 183 | R | A | -0.4152 | |
| 184 | L | A | 0.0000 | |
| 185 | G | A | 0.0000 | |
| 186 | M | A | 0.0000 | |
| 187 | Q | A | -0.6730 | |
| 188 | W | A | -0.3393 | |
| 189 | V | A | 0.0000 | |
| 190 | A | A | -0.9614 | |
| 191 | D | A | -1.2476 | |
| 192 | N | A | 0.0000 | |
| 193 | I | A | 0.0000 | |
| 194 | A | A | -0.7435 | |
| 195 | A | A | -0.5954 | |
| 196 | F | A | 0.0000 | |
| 197 | G | A | 0.0000 | |
| 198 | G | A | 0.0000 | |
| 199 | D | A | 0.0000 | |
| 200 | P | A | -0.8308 | |
| 201 | T | A | -0.8704 | |
| 202 | K | A | -0.9715 | |
| 203 | V | A | 0.0000 | |
| 204 | T | A | 0.0000 | |
| 205 | I | A | 0.0000 | |
| 206 | F | A | 0.0000 | |
| 207 | G | A | 0.0000 | |
| 208 | E | A | -0.1922 | |
| 209 | S | A | -0.2594 | |
| 210 | A | A | 0.0000 | |
| 211 | G | A | 0.0000 | |
| 212 | S | A | 0.0000 | |
| 213 | M | A | 0.0333 | |
| 214 | S | A | 0.0000 | |
| 215 | V | A | 0.0000 | |
| 216 | M | A | 0.0000 | |
| 217 | C | A | 0.0000 | |
| 218 | H | A | 0.0000 | |
| 219 | I | A | 0.0000 | |
| 220 | L | A | 0.0000 | |
| 221 | W | A | 0.0000 | |
| 222 | N | A | -1.9484 | |
| 223 | D | A | -3.2312 | |
| 224 | G | A | -2.5303 | |
| 225 | D | A | -2.8362 | |
| 226 | N | A | -1.7877 | |
| 227 | T | A | -1.6146 | |
| 228 | Y | A | -1.6011 | |
| 229 | K | A | -2.3800 | |
| 230 | G | A | -1.8742 | |
| 231 | K | A | -2.1043 | |
| 232 | P | A | -1.6943 | |
| 233 | L | A | 0.0000 | |
| 234 | F | A | 0.0000 | |
| 235 | R | A | -0.8880 | |
| 236 | A | A | 0.0000 | |
| 237 | G | A | 0.0000 | |
| 238 | I | A | 0.0000 | |
| 239 | M | A | 0.0000 | |
| 240 | Q | A | 0.0000 | |
| 241 | S | A | 0.0000 | |
| 242 | G | A | 0.0000 | |
| 243 | A | A | 0.0000 | |
| 244 | M | A | 0.0000 | |
| 245 | V | A | 0.0000 | |
| 246 | P | A | -0.3339 | |
| 247 | S | A | 0.0000 | |
| 248 | D | A | -0.9412 | |
| 249 | A | A | -0.9985 | |
| 250 | V | A | 0.0000 | |
| 251 | D | A | -1.7282 | |
| 252 | G | A | -0.0904 | |
| 253 | I | A | 1.3655 | |
| 254 | Y | A | 0.6905 | |
| 255 | G | A | 0.0000 | |
| 256 | N | A | -1.2370 | |
| 257 | E | A | -1.4814 | |
| 258 | I | A | -0.6141 | |
| 259 | F | A | 0.0000 | |
| 260 | D | A | -1.8239 | |
| 261 | L | A | -0.8694 | |
| 262 | L | A | 0.0000 | |
| 263 | A | A | 0.0000 | |
| 264 | S | A | -0.8154 | |
| 265 | N | A | -0.7747 | |
| 266 | A | A | -0.9044 | |
| 267 | G | A | -0.5712 | |
| 268 | C | A | -0.7861 | |
| 269 | G | A | -0.9968 | |
| 270 | S | A | -0.8628 | |
| 271 | A | A | -0.9602 | |
| 272 | S | A | -1.1743 | |
| 273 | D | A | -2.0851 | |
| 274 | K | A | -1.4905 | |
| 275 | L | A | 0.0000 | |
| 276 | A | A | -0.8169 | |
| 277 | C | A | -0.6758 | |
| 278 | L | A | 0.0000 | |
| 279 | R | A | -0.6352 | |
| 280 | G | A | -0.7890 | |
| 281 | V | A | -0.6901 | |
| 282 | S | A | -0.8571 | |
| 283 | S | A | -1.4561 | |
| 284 | D | A | -2.7196 | |
| 285 | T | A | -1.8972 | |
| 286 | L | A | 0.0000 | |
| 287 | E | A | -2.2038 | |
| 288 | D | A | -2.6306 | |
| 289 | A | A | 0.0000 | |
| 290 | T | A | 0.0000 | |
| 291 | N | A | 0.0000 | |
| 292 | N | A | -0.9778 | |
| 293 | T | A | 0.0000 | |
| 294 | P | A | 0.0615 | |
| 295 | G | A | 0.0000 | |
| 296 | F | A | 1.3047 | |
| 297 | L | A | 1.9152 | |
| 298 | A | A | 1.2749 | |
| 299 | Y | A | 1.6220 | |
| 300 | S | A | 0.6362 | |
| 301 | S | A | 0.4710 | |
| 302 | L | A | 0.1617 | |
| 303 | R | A | -0.3983 | |
| 304 | L | A | -0.0175 | |
| 305 | S | A | 0.1295 | |
| 306 | Y | A | 0.0000 | |
| 307 | L | A | 0.0000 | |
| 308 | P | A | 0.0000 | |
| 309 | R | A | 0.0000 | |
| 310 | P | A | 0.0000 | |
| 311 | D | A | 0.0000 | |
| 312 | G | A | -0.6655 | |
| 313 | V | A | 0.2229 | |
| 314 | N | A | -0.6341 | |
| 315 | I | A | 0.0000 | |
| 316 | T | A | -1.3662 | |
| 317 | D | A | -2.1690 | |
| 318 | D | A | -1.4593 | |
| 319 | M | A | 0.0000 | |
| 320 | Y | A | 0.0000 | |
| 321 | A | A | -1.7286 | |
| 322 | L | A | 0.0000 | |
| 323 | V | A | 0.0000 | |
| 324 | R | A | -2.8471 | |
| 325 | E | A | -3.3781 | |
| 326 | G | A | -2.6283 | |
| 327 | K | A | -3.2434 | |
| 328 | Y | A | -2.1876 | |
| 329 | A | A | 0.0000 | |
| 330 | N | A | -1.8051 | |
| 331 | I | A | 0.0000 | |
| 332 | P | A | -0.5315 | |
| 333 | V | A | 0.0000 | |
| 334 | I | A | 0.0000 | |
| 335 | I | A | 0.0000 | |
| 336 | G | A | 0.0000 | |
| 337 | D | A | 0.0000 | |
| 338 | Q | A | 0.0000 | |
| 339 | N | A | -0.2534 | |
| 340 | D | A | 0.0000 | |
| 341 | E | A | 0.0000 | |
| 342 | G | A | 0.0000 | |
| 343 | T | A | 0.0000 | |
| 344 | F | A | 1.3593 | |
| 345 | F | A | 0.5408 | |
| 346 | G | A | 0.0000 | |
| 347 | T | A | 0.5217 | |
| 348 | S | A | 0.6247 | |
| 349 | S | A | 0.0288 | |
| 350 | L | A | 0.0542 | |
| 351 | N | A | -0.9602 | |
| 352 | V | A | -0.8926 | |
| 353 | T | A | -0.6335 | |
| 354 | T | A | -1.4985 | |
| 355 | D | A | -2.3628 | |
| 356 | A | A | -1.6888 | |
| 357 | Q | A | -2.0473 | |
| 358 | A | A | 0.0000 | |
| 359 | R | A | -2.6656 | |
| 360 | E | A | -2.8963 | |
| 361 | Y | A | -1.6660 | |
| 362 | F | A | 0.0000 | |
| 363 | K | A | -2.3277 | |
| 364 | Q | A | -1.6739 | |
| 365 | S | A | -0.7323 | |
| 366 | F | A | 0.0000 | |
| 367 | V | A | 0.9498 | |
| 368 | H | A | -0.6865 | |
| 369 | A | A | 0.0000 | |
| 370 | S | A | -1.4233 | |
| 371 | D | A | -2.6097 | |
| 372 | A | A | -1.5955 | |
| 373 | E | A | -1.8131 | |
| 374 | I | A | 0.0000 | |
| 375 | D | A | -2.3805 | |
| 376 | T | A | -1.3912 | |
| 377 | L | A | 0.0000 | |
| 378 | M | A | -0.9837 | |
| 379 | T | A | -0.5404 | |
| 380 | A | A | -0.5621 | |
| 381 | Y | A | 0.0000 | |
| 382 | P | A | -0.7910 | |
| 383 | G | A | -1.3344 | |
| 384 | D | A | -1.3505 | |
| 385 | I | A | 0.4551 | |
| 386 | T | A | 0.1182 | |
| 387 | Q | A | -0.9418 | |
| 388 | G | A | -0.6103 | |
| 389 | S | A | 0.0000 | |
| 390 | P | A | 0.0000 | |
| 391 | F | A | -0.4795 | |
| 392 | D | A | -1.4891 | |
| 393 | T | A | -0.0333 | |
| 394 | G | A | 0.5734 | |
| 395 | I | A | 2.3246 | |
| 396 | L | A | 2.5289 | |
| 397 | N | A | 1.7804 | |
| 398 | A | A | 1.2800 | |
| 399 | L | A | 1.1973 | |
| 400 | T | A | 0.2989 | |
| 401 | P | A | -0.4228 | |
| 402 | Q | A | 0.0000 | |
| 403 | F | A | 0.0000 | |
| 404 | K | A | 0.0000 | |
| 405 | R | A | -0.7552 | |
| 406 | I | A | 0.0000 | |
| 407 | S | A | 0.0000 | |
| 408 | A | A | 0.0000 | |
| 409 | V | A | 0.0000 | |
| 410 | L | A | 0.0000 | |
| 411 | G | A | 0.0000 | |
| 412 | D | A | 0.0000 | |
| 413 | L | A | 0.0000 | |
| 414 | G | A | -0.0900 | |
| 415 | F | A | 0.0000 | |
| 416 | T | A | 0.0000 | |
| 417 | L | A | 0.0000 | |
| 418 | A | A | 0.0000 | |
| 419 | R | A | 0.0000 | |
| 420 | R | A | 0.0000 | |
| 421 | Y | A | 0.0000 | |
| 422 | F | A | 0.0000 | |
| 423 | L | A | 0.0000 | |
| 424 | N | A | -0.8079 | |
| 425 | H | A | -1.2404 | |
| 426 | Y | A | 0.0000 | |
| 427 | T | A | -0.8007 | |
| 428 | G | A | -0.9273 | |
| 429 | G | A | -0.7004 | |
| 430 | T | A | -0.8556 | |
| 431 | K | A | -0.9082 | |
| 432 | Y | A | 0.0000 | |
| 433 | S | A | 0.0000 | |
| 434 | F | A | 0.0000 | |
| 435 | L | A | 0.0000 | |
| 436 | S | A | 0.0000 | |
| 437 | K | A | -0.1849 | |
| 438 | Q | A | 0.0000 | |
| 439 | L | A | 0.5293 | |
| 440 | S | A | -0.0032 | |
| 441 | G | A | 0.3104 | |
| 442 | L | A | 1.2113 | |
| 443 | P | A | 1.0389 | |
| 444 | V | A | 1.7507 | |
| 445 | L | A | 1.4717 | |
| 446 | G | A | 0.0000 | |
| 447 | T | A | 0.0000 | |
| 448 | F | A | 1.1301 | |
| 449 | H | A | 0.4524 | |
| 450 | S | A | 0.3198 | |
| 451 | N | A | 0.0000 | |
| 452 | D | A | 0.0000 | |
| 453 | I | A | 1.2934 | |
| 454 | V | A | 1.5848 | |
| 455 | F | A | 0.0000 | |
| 456 | Q | A | 0.3619 | |
| 457 | D | A | -0.4444 | |
| 458 | Y | A | 1.4808 | |
| 459 | L | A | 1.8343 | |
| 460 | L | A | 1.8780 | |
| 461 | G | A | 0.9671 | |
| 462 | S | A | 0.6926 | |
| 463 | G | A | 0.0000 | |
| 464 | S | A | 0.0000 | |
| 465 | L | A | 0.6824 | |
| 466 | I | A | 0.0000 | |
| 467 | Y | A | 0.0000 | |
| 468 | N | A | 0.0000 | |
| 469 | N | A | -0.0689 | |
| 470 | A | A | 0.0000 | |
| 471 | F | A | 0.0000 | |
| 472 | I | A | 0.0000 | |
| 473 | A | A | 0.0000 | |
| 474 | F | A | 0.0000 | |
| 475 | A | A | 0.0000 | |
| 476 | T | A | -0.5949 | |
| 477 | D | A | -0.9626 | |
| 478 | L | A | -0.3391 | |
| 479 | D | A | -1.0250 | |
| 480 | P | A | 0.0000 | |
| 481 | N | A | -0.7944 | |
| 482 | T | A | -0.6298 | |
| 483 | A | A | -0.3046 | |
| 484 | G | A | -0.0529 | |
| 485 | L | A | 0.7079 | |
| 486 | L | A | 1.3908 | |
| 487 | V | A | 0.4144 | |
| 488 | K | A | -1.3278 | |
| 489 | W | A | 0.0000 | |
| 490 | P | A | -1.5808 | |
| 491 | E | A | -2.2450 | |
| 492 | Y | A | 0.0000 | |
| 493 | T | A | -0.8942 | |
| 494 | S | A | -0.9571 | |
| 495 | S | A | -0.8428 | |
| 496 | S | A | -0.8777 | |
| 497 | Q | A | -0.9737 | |
| 498 | S | A | -0.8495 | |
| 499 | G | A | -1.0670 | |
| 500 | N | A | -1.5516 | |
| 501 | N | A | 0.0000 | |
| 502 | L | A | 0.0000 | |
| 503 | M | A | 0.0000 | |
| 504 | M | A | 0.0000 | |
| 505 | I | A | 0.0000 | |
| 506 | N | A | 0.3323 | |
| 507 | A | A | 0.6485 | |
| 508 | L | A | 1.5341 | |
| 509 | G | A | 0.8575 | |
| 510 | L | A | 0.9397 | |
| 511 | Y | A | 0.8783 | |
| 512 | T | A | -0.2623 | |
| 513 | G | A | -0.6587 | |
| 514 | K | A | -1.4534 | |
| 515 | D | A | 0.0000 | |
| 516 | N | A | -1.5145 | |
| 517 | F | A | -0.4543 | |
| 518 | R | A | -0.6564 | |
| 519 | T | A | -0.8206 | |
| 520 | A | A | -0.6009 | |
| 521 | G | A | 0.0000 | |
| 522 | Y | A | -0.8437 | |
| 523 | D | A | -1.9078 | |
| 524 | A | A | -1.2493 | |
| 525 | L | A | 0.0000 | |
| 526 | F | A | -0.8270 | |
| 527 | S | A | -1.2617 | |
| 528 | N | A | -1.6280 | |
| 529 | P | A | 0.0000 | |
| 530 | P | A | -0.5920 | |
| 531 | S | A | 0.0000 | |
| 532 | F | A | 0.0000 | |
| 533 | F | A | 0.0000 | |
| 534 | V | A | 0.1206 |
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 | 0.1022 | 4.1696 | View | CSV | PDB |
| 4.5 | 0.0436 | 4.1646 | View | CSV | PDB |
| 5.0 | -0.0247 | 4.1569 | View | CSV | PDB |
| 5.5 | -0.0948 | 4.1477 | View | CSV | PDB |
| 6.0 | -0.1587 | 4.1386 | View | CSV | PDB |
| 6.5 | -0.2107 | 4.131 | View | CSV | PDB |
| 7.0 | -0.2492 | 4.126 | View | CSV | PDB |
| 7.5 | -0.277 | 4.1237 | View | CSV | PDB |
| 8.0 | -0.2966 | 4.1228 | View | CSV | PDB |
| 8.5 | -0.3067 | 4.1225 | View | CSV | PDB |
| 9.0 | -0.3049 | 4.1224 | 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