| Chain sequence(s) |
A: EWVKFAKPCREGEDNSKRNPIAKITSDYQATQKITYRISGVGIDQPPFGIFVVDKNTGDINITAIVDREETPSFLITCRALNAQGLDVEKPLILTVKILDINDNPPVFSQQIFMGEIEENSASNSLVMILNATDADEPNHLNSKIAFKIVSQEPAGTPMFLLSRNTGEVRTLTNSLDREQASSYRLVVSGADKDGEGLSTQCECNIKVKDVNDNFPMFRDSQYSARIEENILSSELLRFQVTDLDEEYTDNWLAVYFFTSGNEGNWFEIQTDPRTNEGILKVVKALDYEQLQSVKLSIAVKNKAEFHQSVISRYRVQSTPVTIQVINVREGIAFRPASKTFTVQKGISSKKLVDYILGTYQAIDEDTNKAASNVKYVMGRNDGGYLMIDSKTAEIKFVKNMNRDSTFIVNKTITAEVLAIDEYTGKTSTGTVYVRVPDFNDNCPTAVLEKDAVCSSSPSVVVSARTLNNRYTGPYTFALEDQPVKLPAVWSITTLNATSALLRAQEQIPPGVYHISLVLTDSQNNRCEMPRSLTLEVCQCDNRGICGTSYPTTSPGTRYGRPHSGR
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. (00:00:02)
[INFO] FoldX: Starting FoldX energy minimization (00:00:02)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:09:20)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/a68258550e76cf4/tmp/folded.pdb (00:09:20)
[INFO] Main: Simulation completed successfully. (00:12:39)
|
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 | E | A | -2.1645 | |
| 2 | W | A | -0.8760 | |
| 3 | V | A | 0.3743 | |
| 4 | K | A | -0.4603 | |
| 5 | F | A | 0.4863 | |
| 6 | A | A | -0.4730 | |
| 7 | K | A | -0.8999 | |
| 8 | P | A | -1.0105 | |
| 9 | C | A | 0.0000 | |
| 10 | R | A | -1.6106 | |
| 11 | E | A | 0.0000 | |
| 12 | G | A | -1.8331 | |
| 13 | E | A | -2.8572 | |
| 14 | D | A | -2.7651 | |
| 15 | N | A | 0.0000 | |
| 16 | S | A | -1.8820 | |
| 17 | K | A | -2.7806 | |
| 18 | R | A | -2.0474 | |
| 19 | N | A | -1.6590 | |
| 20 | P | A | -1.1286 | |
| 21 | I | A | 0.0000 | |
| 22 | A | A | 0.0000 | |
| 23 | K | A | -1.3049 | |
| 24 | I | A | 0.0000 | |
| 25 | T | A | -0.8592 | |
| 26 | S | A | 0.0000 | |
| 27 | D | A | -1.9325 | |
| 28 | Y | A | -1.1492 | |
| 29 | Q | A | -1.6337 | |
| 30 | A | A | -0.9499 | |
| 31 | T | A | -0.9308 | |
| 32 | Q | A | -1.7022 | |
| 33 | K | A | -2.2456 | |
| 34 | I | A | 0.0000 | |
| 35 | T | A | -1.8931 | |
| 36 | Y | A | 0.0000 | |
| 37 | R | A | -1.7488 | |
| 38 | I | A | -0.6813 | |
| 39 | S | A | -0.4395 | |
| 40 | G | A | -0.0320 | |
| 41 | V | A | -0.0340 | |
| 42 | G | A | 0.0000 | |
| 43 | I | A | -0.0116 | |
| 44 | D | A | -1.6484 | |
| 45 | Q | A | -1.2768 | |
| 46 | P | A | -0.3398 | |
| 47 | P | A | -0.0173 | |
| 48 | F | A | 1.0347 | |
| 49 | G | A | 0.3599 | |
| 50 | I | A | 0.0000 | |
| 51 | F | A | 0.0000 | |
| 52 | V | A | 0.4449 | |
| 53 | V | A | 0.0000 | |
| 54 | D | A | -2.1266 | |
| 55 | K | A | -2.4415 | |
| 56 | N | A | -2.6391 | |
| 57 | T | A | -1.6231 | |
| 58 | G | A | 0.0000 | |
| 59 | D | A | -1.3127 | |
| 60 | I | A | 0.0000 | |
| 61 | N | A | -0.7784 | |
| 62 | I | A | 0.0000 | |
| 63 | T | A | 0.0495 | |
| 64 | A | A | 0.2573 | |
| 65 | I | A | 0.4219 | |
| 66 | V | A | 0.0000 | |
| 67 | D | A | -2.6748 | |
| 68 | R | A | 0.0000 | |
| 69 | E | A | -3.6070 | |
| 70 | E | A | -3.2521 | |
| 71 | T | A | -2.1607 | |
| 72 | P | A | -1.9613 | |
| 73 | S | A | -1.1076 | |
| 74 | F | A | 0.0000 | |
| 75 | L | A | 1.4487 | |
| 76 | I | A | 0.0000 | |
| 77 | T | A | 0.5533 | |
| 78 | C | A | 0.0000 | |
| 79 | R | A | -1.4386 | |
| 80 | A | A | 0.0000 | |
| 81 | L | A | -0.8697 | |
| 82 | N | A | -0.8553 | |
| 83 | A | A | -1.0667 | |
| 84 | Q | A | -1.0768 | |
| 85 | G | A | -0.4692 | |
| 86 | L | A | 0.4511 | |
| 87 | D | A | -0.9739 | |
| 88 | V | A | -0.5209 | |
| 89 | E | A | -1.6404 | |
| 90 | K | A | -2.2425 | |
| 91 | P | A | -1.2211 | |
| 92 | L | A | 0.1926 | |
| 93 | I | A | 1.3149 | |
| 94 | L | A | 0.0000 | |
| 95 | T | A | 0.2671 | |
| 96 | V | A | 0.0000 | |
| 97 | K | A | -1.7705 | |
| 98 | I | A | 0.0000 | |
| 99 | L | A | -0.7598 | |
| 100 | D | A | -1.3424 | |
| 101 | I | A | -0.9221 | |
| 102 | N | A | -1.1247 | |
| 103 | D | A | -2.2232 | |
| 104 | N | A | -1.3609 | |
| 105 | P | A | -0.3914 | |
| 106 | P | A | 0.0000 | |
| 107 | V | A | 0.8546 | |
| 108 | F | A | 0.0000 | |
| 109 | S | A | -0.9028 | |
| 110 | Q | A | -1.6650 | |
| 111 | Q | A | -1.8103 | |
| 112 | I | A | -0.8494 | |
| 113 | F | A | 0.0000 | |
| 114 | M | A | 0.1810 | |
| 115 | G | A | 0.0000 | |
| 116 | E | A | -2.3533 | |
| 117 | I | A | 0.0000 | |
| 118 | E | A | -2.2172 | |
| 119 | E | A | 0.0000 | |
| 120 | N | A | -1.5720 | |
| 121 | S | A | -1.2033 | |
| 122 | A | A | -0.9660 | |
| 123 | S | A | -1.0176 | |
| 124 | N | A | -1.1199 | |
| 125 | S | A | -0.4812 | |
| 126 | L | A | 0.5881 | |
| 127 | V | A | -0.0235 | |
| 128 | M | A | 0.0000 | |
| 129 | I | A | 0.8810 | |
| 130 | L | A | 0.0000 | |
| 131 | N | A | -1.0497 | |
| 132 | A | A | -0.3080 | |
| 133 | T | A | -0.0491 | |
| 134 | D | A | -0.4381 | |
| 135 | A | A | -1.1295 | |
| 136 | D | A | 0.0000 | |
| 137 | E | A | -1.6807 | |
| 138 | P | A | -1.4994 | |
| 139 | N | A | -1.8565 | |
| 140 | H | A | -1.4298 | |
| 141 | L | A | -0.4262 | |
| 142 | N | A | 0.0000 | |
| 143 | S | A | -1.3104 | |
| 144 | K | A | -1.7773 | |
| 145 | I | A | -1.3275 | |
| 146 | A | A | 0.0000 | |
| 147 | F | A | 0.0000 | |
| 148 | K | A | -1.7417 | |
| 149 | I | A | -0.0568 | |
| 150 | V | A | 1.1724 | |
| 151 | S | A | -0.2363 | |
| 152 | Q | A | -1.0958 | |
| 153 | E | A | -2.3228 | |
| 154 | P | A | -1.6921 | |
| 155 | A | A | -1.1340 | |
| 156 | G | A | -0.8803 | |
| 157 | T | A | -0.3834 | |
| 158 | P | A | -0.3318 | |
| 159 | M | A | 0.0000 | |
| 160 | F | A | 0.0000 | |
| 161 | L | A | 0.3319 | |
| 162 | L | A | -0.3877 | |
| 163 | S | A | -1.3813 | |
| 164 | R | A | -2.9021 | |
| 165 | N | A | -2.6583 | |
| 166 | T | A | -1.2198 | |
| 167 | G | A | 0.0000 | |
| 168 | E | A | -0.2734 | |
| 169 | V | A | 0.0000 | |
| 170 | R | A | 0.0979 | |
| 171 | T | A | 0.0000 | |
| 172 | L | A | 0.1646 | |
| 173 | T | A | -0.7522 | |
| 174 | N | A | -1.6706 | |
| 175 | S | A | -1.0091 | |
| 176 | L | A | 0.0000 | |
| 177 | D | A | -2.0457 | |
| 178 | R | A | -2.2112 | |
| 179 | E | A | -2.3330 | |
| 180 | Q | A | -2.0722 | |
| 181 | A | A | -1.6357 | |
| 182 | S | A | -1.5439 | |
| 183 | S | A | -1.9422 | |
| 184 | Y | A | 0.0000 | |
| 185 | R | A | -2.3829 | |
| 186 | L | A | 0.0000 | |
| 187 | V | A | -0.5840 | |
| 188 | V | A | 0.0000 | |
| 189 | S | A | -0.7573 | |
| 190 | G | A | 0.0000 | |
| 191 | A | A | -1.1728 | |
| 192 | D | A | 0.0000 | |
| 193 | K | A | -1.6773 | |
| 194 | D | A | -2.0784 | |
| 195 | G | A | -2.2880 | |
| 196 | E | A | -2.3440 | |
| 197 | G | A | -1.5539 | |
| 198 | L | A | -0.6851 | |
| 199 | S | A | -0.4512 | |
| 200 | T | A | -0.3408 | |
| 201 | Q | A | -1.2561 | |
| 202 | C | A | 0.0000 | |
| 203 | E | A | -1.8047 | |
| 204 | C | A | 0.0000 | |
| 205 | N | A | -1.4241 | |
| 206 | I | A | 0.0000 | |
| 207 | K | A | -2.3469 | |
| 208 | V | A | 0.0000 | |
| 209 | K | A | -2.2363 | |
| 210 | D | A | -1.8313 | |
| 211 | V | A | -1.3281 | |
| 212 | N | A | 0.0000 | |
| 213 | D | A | -0.8861 | |
| 214 | N | A | -0.1277 | |
| 215 | F | A | 0.1249 | |
| 216 | P | A | 0.0000 | |
| 217 | M | A | 0.0140 | |
| 218 | F | A | -1.2649 | |
| 219 | R | A | -2.7108 | |
| 220 | D | A | -2.9900 | |
| 221 | S | A | -1.8748 | |
| 222 | Q | A | -1.9344 | |
| 223 | Y | A | -0.9539 | |
| 224 | S | A | -1.0021 | |
| 225 | A | A | -1.0297 | |
| 226 | R | A | -2.1312 | |
| 227 | I | A | 0.0000 | |
| 228 | E | A | -1.1135 | |
| 229 | E | A | -1.4767 | |
| 230 | N | A | -1.1401 | |
| 231 | I | A | 0.5001 | |
| 232 | L | A | 0.9881 | |
| 233 | S | A | 0.0963 | |
| 234 | S | A | -1.0191 | |
| 235 | E | A | -1.9926 | |
| 236 | L | A | -0.9169 | |
| 237 | L | A | -0.8155 | |
| 238 | R | A | -1.0381 | |
| 239 | F | A | 0.0000 | |
| 240 | Q | A | -1.3244 | |
| 241 | V | A | -0.6532 | |
| 242 | T | A | 0.0042 | |
| 243 | D | A | 0.0000 | |
| 244 | L | A | -0.0385 | |
| 245 | D | A | 0.0000 | |
| 246 | E | A | -1.8106 | |
| 247 | E | A | -1.8137 | |
| 248 | Y | A | -0.3705 | |
| 249 | T | A | -0.9708 | |
| 250 | D | A | -1.8991 | |
| 251 | N | A | -1.6687 | |
| 252 | W | A | 0.0000 | |
| 253 | L | A | -0.9994 | |
| 254 | A | A | 0.0000 | |
| 255 | V | A | -0.1009 | |
| 256 | Y | A | 0.0000 | |
| 257 | F | A | 0.5308 | |
| 258 | F | A | 0.1905 | |
| 259 | T | A | 0.1280 | |
| 260 | S | A | -0.7407 | |
| 261 | G | A | -1.3945 | |
| 262 | N | A | -1.8925 | |
| 263 | E | A | -2.3964 | |
| 264 | G | A | -2.0106 | |
| 265 | N | A | -2.5537 | |
| 266 | W | A | -1.6246 | |
| 267 | F | A | 0.0000 | |
| 268 | E | A | -2.4243 | |
| 269 | I | A | -1.1702 | |
| 270 | Q | A | -1.6338 | |
| 271 | T | A | -0.7144 | |
| 272 | D | A | 0.0000 | |
| 273 | P | A | -1.0243 | |
| 274 | R | A | -1.9530 | |
| 275 | T | A | -1.1226 | |
| 276 | N | A | 0.0000 | |
| 277 | E | A | -0.8025 | |
| 278 | G | A | 0.0000 | |
| 279 | I | A | -1.2691 | |
| 280 | L | A | 0.0000 | |
| 281 | K | A | -1.5673 | |
| 282 | V | A | 0.0000 | |
| 283 | V | A | -0.5883 | |
| 284 | K | A | -1.6972 | |
| 285 | A | A | -0.6703 | |
| 286 | L | A | 0.0000 | |
| 287 | D | A | -2.1112 | |
| 288 | Y | A | -1.9009 | |
| 289 | E | A | -2.6059 | |
| 290 | Q | A | -2.0803 | |
| 291 | L | A | -1.3029 | |
| 292 | Q | A | -1.7791 | |
| 293 | S | A | -1.5048 | |
| 294 | V | A | 0.0000 | |
| 295 | K | A | -1.9342 | |
| 296 | L | A | 0.0000 | |
| 297 | S | A | -0.5976 | |
| 298 | I | A | 0.0000 | |
| 299 | A | A | 0.0000 | |
| 300 | V | A | 0.0000 | |
| 301 | K | A | -0.5554 | |
| 302 | N | A | 0.0000 | |
| 303 | K | A | -2.3922 | |
| 304 | A | A | -2.1158 | |
| 305 | E | A | -2.6175 | |
| 306 | F | A | 0.0000 | |
| 307 | H | A | -1.3485 | |
| 308 | Q | A | -1.7199 | |
| 309 | S | A | -1.0376 | |
| 310 | V | A | 0.0000 | |
| 311 | I | A | -1.0508 | |
| 312 | S | A | -1.2835 | |
| 313 | R | A | -2.2041 | |
| 314 | Y | A | -1.1924 | |
| 315 | R | A | -1.4764 | |
| 316 | V | A | 0.4011 | |
| 317 | Q | A | -0.4401 | |
| 318 | S | A | -0.3227 | |
| 319 | T | A | 0.0000 | |
| 320 | P | A | -1.2054 | |
| 321 | V | A | 0.0000 | |
| 322 | T | A | 0.0000 | |
| 323 | I | A | 0.0000 | |
| 324 | Q | A | -1.9031 | |
| 325 | V | A | 0.0000 | |
| 326 | I | A | -0.8468 | |
| 327 | N | A | -1.5111 | |
| 328 | V | A | -0.9423 | |
| 329 | R | A | -2.3387 | |
| 330 | E | A | -2.6077 | |
| 331 | G | A | -1.7091 | |
| 332 | I | A | -1.3330 | |
| 333 | A | A | -0.8837 | |
| 334 | F | A | 0.0000 | |
| 335 | R | A | -2.3005 | |
| 336 | P | A | -1.5483 | |
| 337 | A | A | -0.9171 | |
| 338 | S | A | -0.8218 | |
| 339 | K | A | -0.8985 | |
| 340 | T | A | -0.4871 | |
| 341 | F | A | 0.0000 | |
| 342 | T | A | -1.0806 | |
| 343 | V | A | 0.0000 | |
| 344 | Q | A | -2.2164 | |
| 345 | K | A | -2.7299 | |
| 346 | G | A | -1.8954 | |
| 347 | I | A | -1.4950 | |
| 348 | S | A | -2.0853 | |
| 349 | S | A | -2.4369 | |
| 350 | K | A | -3.0616 | |
| 351 | K | A | -2.6856 | |
| 352 | L | A | 0.0000 | |
| 353 | V | A | -0.5867 | |
| 354 | D | A | -1.0985 | |
| 355 | Y | A | -0.0707 | |
| 356 | I | A | 0.8864 | |
| 357 | L | A | 0.1219 | |
| 358 | G | A | -0.0135 | |
| 359 | T | A | -0.5885 | |
| 360 | Y | A | 0.0000 | |
| 361 | Q | A | -1.3606 | |
| 362 | A | A | 0.0000 | |
| 363 | I | A | -1.5797 | |
| 364 | D | A | -2.1213 | |
| 365 | E | A | -2.9373 | |
| 366 | D | A | -2.7766 | |
| 367 | T | A | -1.9526 | |
| 368 | N | A | -2.4650 | |
| 369 | K | A | -2.3294 | |
| 370 | A | A | -1.3449 | |
| 371 | A | A | -1.2975 | |
| 372 | S | A | -1.5529 | |
| 373 | N | A | -1.8060 | |
| 374 | V | A | -1.7462 | |
| 375 | K | A | -1.9045 | |
| 376 | Y | A | 0.0000 | |
| 377 | V | A | -0.0853 | |
| 378 | M | A | -0.3080 | |
| 379 | G | A | -1.1002 | |
| 380 | R | A | -2.3329 | |
| 381 | N | A | -1.4708 | |
| 382 | D | A | -0.9857 | |
| 383 | G | A | -0.5410 | |
| 384 | G | A | -0.6698 | |
| 385 | Y | A | 0.0000 | |
| 386 | L | A | 0.0000 | |
| 387 | M | A | 0.0024 | |
| 388 | I | A | 0.0000 | |
| 389 | D | A | -1.5876 | |
| 390 | S | A | -1.4216 | |
| 391 | K | A | -2.5312 | |
| 392 | T | A | -1.5873 | |
| 393 | A | A | 0.0000 | |
| 394 | E | A | -1.2283 | |
| 395 | I | A | 0.0000 | |
| 396 | K | A | -0.1657 | |
| 397 | F | A | 0.0000 | |
| 398 | V | A | 0.5032 | |
| 399 | K | A | -1.4718 | |
| 400 | N | A | -2.2789 | |
| 401 | M | A | 0.0000 | |
| 402 | N | A | -3.2666 | |
| 403 | R | A | -3.7999 | |
| 404 | D | A | -2.8622 | |
| 405 | S | A | -1.1442 | |
| 406 | T | A | 0.0929 | |
| 407 | F | A | 0.7660 | |
| 408 | I | A | -0.0677 | |
| 409 | V | A | 0.9632 | |
| 410 | N | A | -1.2062 | |
| 411 | K | A | -2.3620 | |
| 412 | T | A | 0.0000 | |
| 413 | I | A | 0.0000 | |
| 414 | T | A | -0.0487 | |
| 415 | A | A | 0.0000 | |
| 416 | E | A | -1.2708 | |
| 417 | V | A | 0.0000 | |
| 418 | L | A | -0.2214 | |
| 419 | A | A | 0.0000 | |
| 420 | I | A | -0.9341 | |
| 421 | D | A | -1.6489 | |
| 422 | E | A | -2.1158 | |
| 423 | Y | A | -0.1584 | |
| 424 | T | A | -0.7436 | |
| 425 | G | A | -1.5556 | |
| 426 | K | A | -1.9581 | |
| 427 | T | A | -1.1206 | |
| 428 | S | A | -0.2803 | |
| 429 | T | A | 0.0094 | |
| 430 | G | A | 0.0000 | |
| 431 | T | A | -0.5906 | |
| 432 | V | A | 0.0000 | |
| 433 | Y | A | -0.3329 | |
| 434 | V | A | 0.0000 | |
| 435 | R | A | -2.0456 | |
| 436 | V | A | 0.0000 | |
| 437 | P | A | -2.0163 | |
| 438 | D | A | -2.7331 | |
| 439 | F | A | -2.1956 | |
| 440 | N | A | -2.6875 | |
| 441 | D | A | -3.1626 | |
| 442 | N | A | -1.8584 | |
| 443 | C | A | -1.3015 | |
| 444 | P | A | 0.0000 | |
| 445 | T | A | -0.4790 | |
| 446 | A | A | 0.0000 | |
| 447 | V | A | -0.6407 | |
| 448 | L | A | -1.1488 | |
| 449 | E | A | -2.3459 | |
| 450 | K | A | -3.2469 | |
| 451 | D | A | -3.0224 | |
| 452 | A | A | -1.6592 | |
| 453 | V | A | 0.0000 | |
| 454 | C | A | -0.6226 | |
| 455 | S | A | -1.3138 | |
| 456 | S | A | -1.2059 | |
| 457 | S | A | -1.2601 | |
| 458 | P | A | 0.0000 | |
| 459 | S | A | -0.9034 | |
| 460 | V | A | 0.0000 | |
| 461 | V | A | -0.1517 | |
| 462 | V | A | 0.0000 | |
| 463 | S | A | -0.4785 | |
| 464 | A | A | 0.0000 | |
| 465 | R | A | -1.7510 | |
| 466 | T | A | -1.1571 | |
| 467 | L | A | 0.0271 | |
| 468 | N | A | -1.4829 | |
| 469 | N | A | -2.1113 | |
| 470 | R | A | -2.1639 | |
| 471 | Y | A | -0.2298 | |
| 472 | T | A | -0.6443 | |
| 473 | G | A | -0.6530 | |
| 474 | P | A | -0.5914 | |
| 475 | Y | A | 0.0000 | |
| 476 | T | A | -0.5859 | |
| 477 | F | A | 0.0000 | |
| 478 | A | A | -0.2166 | |
| 479 | L | A | -0.8463 | |
| 480 | E | A | -2.1193 | |
| 481 | D | A | -2.4602 | |
| 482 | Q | A | -1.4972 | |
| 483 | P | A | -0.6353 | |
| 484 | V | A | 0.8113 | |
| 485 | K | A | -0.4120 | |
| 486 | L | A | 0.6996 | |
| 487 | P | A | 0.3240 | |
| 488 | A | A | 0.0000 | |
| 489 | V | A | 0.4180 | |
| 490 | W | A | 0.0000 | |
| 491 | S | A | -0.2773 | |
| 492 | I | A | 0.1872 | |
| 493 | T | A | 0.1268 | |
| 494 | T | A | 0.2546 | |
| 495 | L | A | 0.6489 | |
| 496 | N | A | -0.7680 | |
| 497 | A | A | -0.4418 | |
| 498 | T | A | -0.5271 | |
| 499 | S | A | -0.2964 | |
| 500 | A | A | 0.0000 | |
| 501 | L | A | 0.4143 | |
| 502 | L | A | 0.0000 | |
| 503 | R | A | -1.8164 | |
| 504 | A | A | 0.0000 | |
| 505 | Q | A | -2.3436 | |
| 506 | E | A | -3.0077 | |
| 507 | Q | A | -2.5071 | |
| 508 | I | A | 0.0000 | |
| 509 | P | A | -0.8512 | |
| 510 | P | A | -0.6840 | |
| 511 | G | A | -0.0320 | |
| 512 | V | A | 0.6028 | |
| 513 | Y | A | 0.0000 | |
| 514 | H | A | -0.9717 | |
| 515 | I | A | 0.0000 | |
| 516 | S | A | -1.1469 | |
| 517 | L | A | 0.0000 | |
| 518 | V | A | -0.6683 | |
| 519 | L | A | 0.0000 | |
| 520 | T | A | 0.0000 | |
| 521 | D | A | -1.5864 | |
| 522 | S | A | -1.5282 | |
| 523 | Q | A | -2.3060 | |
| 524 | N | A | -2.5429 | |
| 525 | N | A | -2.5899 | |
| 526 | R | A | -2.6191 | |
| 527 | C | A | -1.8496 | |
| 528 | E | A | -1.9255 | |
| 529 | M | A | -0.1490 | |
| 530 | P | A | -0.6090 | |
| 531 | R | A | -0.9981 | |
| 532 | S | A | -0.9104 | |
| 533 | L | A | 0.0000 | |
| 534 | T | A | -0.7673 | |
| 535 | L | A | 0.0000 | |
| 536 | E | A | -1.5676 | |
| 537 | V | A | 0.0000 | |
| 538 | C | A | -0.6618 | |
| 539 | Q | A | -1.2552 | |
| 540 | C | A | -1.1065 | |
| 541 | D | A | -1.8928 | |
| 542 | N | A | -2.3703 | |
| 543 | R | A | -2.4044 | |
| 544 | G | A | -1.3862 | |
| 545 | I | A | 0.1387 | |
| 546 | C | A | -0.3126 | |
| 547 | G | A | -0.5054 | |
| 548 | T | A | -0.0180 | |
| 549 | S | A | 0.0906 | |
| 550 | Y | A | 0.9810 | |
| 551 | P | A | 0.2492 | |
| 552 | T | A | 0.0331 | |
| 553 | T | A | -0.1929 | |
| 554 | S | A | -0.5129 | |
| 555 | P | A | -0.6174 | |
| 556 | G | A | -1.0458 | |
| 557 | T | A | -1.0335 | |
| 558 | R | A | -1.4438 | |
| 559 | Y | A | -0.2787 | |
| 560 | G | A | -1.0809 | |
| 561 | R | A | -2.1809 | |
| 562 | P | A | -1.8107 | |
| 563 | H | A | -1.7499 | |
| 564 | S | A | -1.6281 | |
| 565 | G | A | -1.8026 | |
| 566 | R | A | -2.1489 |
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 | -0.7604 | 5.1064 | View | CSV | PDB |
| 4.5 | -0.831 | 4.9986 | View | CSV | PDB |
| 5.0 | -0.9189 | 4.8874 | View | CSV | PDB |
| 5.5 | -1.0093 | 4.775 | View | CSV | PDB |
| 6.0 | -1.0848 | 4.6625 | View | CSV | PDB |
| 6.5 | -1.131 | 4.5506 | View | CSV | PDB |
| 7.0 | -1.1448 | 4.441 | View | CSV | PDB |
| 7.5 | -1.1347 | 4.338 | View | CSV | PDB |
| 8.0 | -1.1104 | 4.2514 | View | CSV | PDB |
| 8.5 | -1.0759 | 4.1929 | View | CSV | PDB |
| 9.0 | -1.0315 | 4.1638 | 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