| Chain sequence(s) |
A: HKSEIAHRFKDLGEEHFKGLVLIAFSQYLQQCPFDEHVKLVNELTEFAKTCVADESHAGCEKSLHTLFGDELCKVASLRETYGDMADCCEKQEPERNECFLSHKDDSPDLPKLKPDPNTLCDEFKADEKKFWGKYLYEIARRHPYFYAPELLYYANKYNGVFQECCQAEDKGACLLPKIETMREKVLTSSARQRLRCASIQKFGERALKAWSVARLSQKFPKAEFVEVTKLVTDLTKVHKECCHGDLLECADDRADLAKYICDNQDTISSKLKECCDKPLLEKSHCIAEVEKDAIPENLPPLTADFAEDKDVCKNYQEAKDAFLGSFLYEYSRRHPEYAVSVLLRLAKEYEATLEECCAKDDPHACYSTVFDKLKHLVDEPQNLIKQNCDQFEKLGEYGFQNALIVRYTRKVPQVSTPTLVEVSRSLGKVGTRCCTKPESERMPCTEDYLSLILNRLCVLHEKTPVSEKVTKCCTESLVNRRPCFSALTPDETYVPKAFDEKLFTFHADICTLPDTEKQIKKQTALVELLKHKPKATEEQLKTVMENFVAFVDKCCAADDKEACFAVEGPKLVVSTQTALA
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 (00:15:05)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/258c6e6b09ebc26/tmp/folded.pdb (00:15:05)
[INFO] Main: Simulation completed successfully. (00:17:39)
|
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 |
|---|---|---|---|---|
| 3 | H | A | -2.2414 | |
| 4 | K | A | -2.9690 | |
| 5 | S | A | 0.0000 | |
| 6 | E | A | -1.9438 | |
| 7 | I | A | 0.0000 | |
| 8 | A | A | 0.0000 | |
| 9 | H | A | -1.9629 | |
| 10 | R | A | 0.0000 | |
| 11 | F | A | -2.1646 | |
| 12 | K | A | -2.9233 | |
| 13 | D | A | -3.1399 | |
| 14 | L | A | -2.1157 | |
| 15 | G | A | -2.4503 | |
| 16 | E | A | -3.3276 | |
| 17 | E | A | -2.7187 | |
| 18 | H | A | -1.7471 | |
| 19 | F | A | 0.0000 | |
| 20 | K | A | -1.8069 | |
| 21 | G | A | 0.0000 | |
| 22 | L | A | 0.0000 | |
| 23 | V | A | 0.0000 | |
| 24 | L | A | 0.0000 | |
| 25 | I | A | 0.0000 | |
| 26 | A | A | 0.0000 | |
| 27 | F | A | 0.0000 | |
| 28 | S | A | 0.0000 | |
| 29 | Q | A | 0.0000 | |
| 30 | Y | A | 0.0000 | |
| 31 | L | A | 0.0000 | |
| 32 | Q | A | 0.0000 | |
| 33 | Q | A | -1.3886 | |
| 34 | C | A | 0.0000 | |
| 35 | P | A | -1.2890 | |
| 36 | F | A | 0.0000 | |
| 37 | D | A | -2.5512 | |
| 38 | E | A | -2.1304 | |
| 39 | H | A | 0.0000 | |
| 40 | V | A | -1.8991 | |
| 41 | K | A | -2.7480 | |
| 42 | L | A | -1.7723 | |
| 43 | V | A | 0.0000 | |
| 44 | N | A | -2.5063 | |
| 45 | E | A | -3.0219 | |
| 46 | L | A | 0.0000 | |
| 47 | T | A | 0.0000 | |
| 48 | E | A | -2.8530 | |
| 49 | F | A | -1.4944 | |
| 50 | A | A | 0.0000 | |
| 51 | K | A | -2.2178 | |
| 52 | T | A | -1.4870 | |
| 53 | C | A | 0.0000 | |
| 54 | V | A | -1.0858 | |
| 55 | A | A | -1.1150 | |
| 56 | D | A | -2.2806 | |
| 57 | E | A | -2.5523 | |
| 58 | S | A | -1.8381 | |
| 59 | H | A | -1.5282 | |
| 60 | A | A | -1.0223 | |
| 61 | G | A | -1.0965 | |
| 62 | C | A | 0.0000 | |
| 63 | E | A | -2.9358 | |
| 64 | K | A | -2.1637 | |
| 65 | S | A | -1.1720 | |
| 66 | L | A | 0.0000 | |
| 67 | H | A | -0.7674 | |
| 68 | T | A | -1.2133 | |
| 69 | L | A | -0.8445 | |
| 70 | F | A | -0.4748 | |
| 71 | G | A | 0.0000 | |
| 72 | D | A | -1.7930 | |
| 73 | E | A | -1.6811 | |
| 74 | L | A | 0.0000 | |
| 75 | C | A | -1.7118 | |
| 76 | K | A | -1.9752 | |
| 77 | V | A | -1.1421 | |
| 78 | A | A | -0.8896 | |
| 79 | S | A | -1.3555 | |
| 80 | L | A | 0.0000 | |
| 81 | R | A | -3.4151 | |
| 82 | E | A | -2.9644 | |
| 83 | T | A | -1.9446 | |
| 84 | Y | A | -1.9623 | |
| 85 | G | A | -2.5824 | |
| 86 | D | A | -3.0980 | |
| 87 | M | A | 0.0000 | |
| 88 | A | A | -2.7067 | |
| 89 | D | A | -3.3551 | |
| 90 | C | A | 0.0000 | |
| 91 | C | A | -2.5199 | |
| 92 | E | A | -3.0929 | |
| 93 | K | A | -3.2658 | |
| 94 | Q | A | -2.5578 | |
| 95 | E | A | -1.9902 | |
| 96 | P | A | -1.8852 | |
| 97 | E | A | -2.6237 | |
| 98 | R | A | 0.0000 | |
| 99 | N | A | 0.0000 | |
| 100 | E | A | -2.4780 | |
| 101 | C | A | -1.9116 | |
| 102 | F | A | 0.0000 | |
| 103 | L | A | -0.9576 | |
| 104 | S | A | -0.9053 | |
| 105 | H | A | -1.2580 | |
| 106 | K | A | 0.0000 | |
| 107 | D | A | -2.0911 | |
| 108 | D | A | -1.4684 | |
| 109 | S | A | -1.1671 | |
| 110 | P | A | -1.6531 | |
| 111 | D | A | -2.2161 | |
| 112 | L | A | -1.3547 | |
| 113 | P | A | -1.5279 | |
| 114 | K | A | -2.2887 | |
| 115 | L | A | -1.4869 | |
| 116 | K | A | -2.2660 | |
| 117 | P | A | -1.7185 | |
| 118 | D | A | -1.7336 | |
| 119 | P | A | -1.9272 | |
| 120 | N | A | -2.3461 | |
| 121 | T | A | -1.8857 | |
| 122 | L | A | -1.7985 | |
| 123 | C | A | 0.0000 | |
| 124 | D | A | -3.5362 | |
| 125 | E | A | -3.5403 | |
| 126 | F | A | 0.0000 | |
| 127 | K | A | -3.4208 | |
| 128 | A | A | -3.0271 | |
| 129 | D | A | -3.9624 | |
| 130 | E | A | -4.0333 | |
| 131 | K | A | -3.5272 | |
| 132 | K | A | -3.3264 | |
| 133 | F | A | 0.0000 | |
| 134 | W | A | 0.0000 | |
| 135 | G | A | 0.0000 | |
| 136 | K | A | -1.5717 | |
| 137 | Y | A | 0.0000 | |
| 138 | L | A | 0.0000 | |
| 139 | Y | A | 0.0000 | |
| 140 | E | A | -0.5013 | |
| 141 | I | A | 0.0000 | |
| 142 | A | A | 0.0000 | |
| 143 | R | A | -0.8124 | |
| 144 | R | A | -1.2611 | |
| 145 | H | A | -0.4633 | |
| 146 | P | A | 0.0000 | |
| 147 | Y | A | -0.3078 | |
| 148 | F | A | 0.0000 | |
| 149 | Y | A | 0.0000 | |
| 150 | A | A | 0.0000 | |
| 151 | P | A | 0.0000 | |
| 152 | E | A | 0.0000 | |
| 153 | L | A | 0.0000 | |
| 154 | L | A | 0.0000 | |
| 155 | Y | A | 0.0000 | |
| 156 | Y | A | 0.0000 | |
| 157 | A | A | 0.0000 | |
| 158 | N | A | -1.1604 | |
| 159 | K | A | -1.6675 | |
| 160 | Y | A | 0.0000 | |
| 161 | N | A | 0.0000 | |
| 162 | G | A | -1.4533 | |
| 163 | V | A | -1.2366 | |
| 164 | F | A | 0.0000 | |
| 165 | Q | A | -2.5220 | |
| 166 | E | A | -2.5855 | |
| 167 | C | A | 0.0000 | |
| 168 | C | A | -2.5991 | |
| 169 | Q | A | -2.5555 | |
| 170 | A | A | -2.5393 | |
| 171 | E | A | -3.0781 | |
| 172 | D | A | -3.0721 | |
| 173 | K | A | -2.4909 | |
| 174 | G | A | -1.3834 | |
| 175 | A | A | -0.8722 | |
| 176 | C | A | -1.1142 | |
| 177 | L | A | 0.0000 | |
| 178 | L | A | -0.5187 | |
| 179 | P | A | -1.0087 | |
| 180 | K | A | -1.4456 | |
| 181 | I | A | 0.0000 | |
| 182 | E | A | -2.7592 | |
| 183 | T | A | -2.1774 | |
| 184 | M | A | 0.0000 | |
| 185 | R | A | -2.1016 | |
| 186 | E | A | -2.5404 | |
| 187 | K | A | -2.4370 | |
| 188 | V | A | 0.0000 | |
| 189 | L | A | -0.0745 | |
| 190 | T | A | -0.5685 | |
| 191 | S | A | -0.5857 | |
| 192 | S | A | -0.2984 | |
| 193 | A | A | -0.1183 | |
| 194 | R | A | -0.4751 | |
| 195 | Q | A | 0.0000 | |
| 196 | R | A | -0.5529 | |
| 197 | L | A | 0.0000 | |
| 198 | R | A | -0.6873 | |
| 199 | C | A | 0.0000 | |
| 200 | A | A | -0.8291 | |
| 201 | S | A | 0.0000 | |
| 202 | I | A | -1.6912 | |
| 203 | Q | A | -1.9934 | |
| 204 | K | A | -1.8517 | |
| 205 | F | A | -1.3794 | |
| 206 | G | A | -1.7328 | |
| 207 | E | A | -2.5683 | |
| 208 | R | A | -2.7102 | |
| 209 | A | A | -1.5993 | |
| 210 | L | A | 0.0000 | |
| 211 | K | A | -2.0209 | |
| 212 | A | A | -1.1593 | |
| 213 | W | A | -0.5465 | |
| 214 | S | A | 0.0000 | |
| 215 | V | A | 0.0000 | |
| 216 | A | A | 0.0000 | |
| 217 | R | A | -0.4105 | |
| 218 | L | A | 0.0000 | |
| 219 | S | A | 0.0000 | |
| 220 | Q | A | 0.0000 | |
| 221 | K | A | -1.5395 | |
| 222 | F | A | 0.0000 | |
| 223 | P | A | 0.0000 | |
| 224 | K | A | -1.7691 | |
| 225 | A | A | 0.0000 | |
| 226 | E | A | -1.4208 | |
| 227 | F | A | -0.0898 | |
| 228 | V | A | 0.9543 | |
| 229 | E | A | -0.2586 | |
| 230 | V | A | 0.0000 | |
| 231 | T | A | -0.4518 | |
| 232 | K | A | -0.9107 | |
| 233 | L | A | 0.0000 | |
| 234 | V | A | 0.0000 | |
| 235 | T | A | -1.5392 | |
| 236 | D | A | -2.0987 | |
| 237 | L | A | 0.0000 | |
| 238 | T | A | 0.0000 | |
| 239 | K | A | -2.5582 | |
| 240 | V | A | 0.0000 | |
| 241 | H | A | 0.0000 | |
| 242 | K | A | -1.6426 | |
| 243 | E | A | -1.3561 | |
| 244 | C | A | 0.0000 | |
| 245 | C | A | 0.0000 | |
| 246 | H | A | -1.1711 | |
| 247 | G | A | -0.6614 | |
| 248 | D | A | 0.0000 | |
| 249 | L | A | 0.0000 | |
| 250 | L | A | 0.0000 | |
| 251 | E | A | -1.2209 | |
| 252 | C | A | 0.0000 | |
| 253 | A | A | 0.0000 | |
| 254 | D | A | -1.4337 | |
| 255 | D | A | -2.0200 | |
| 256 | R | A | 0.0000 | |
| 257 | A | A | -1.4975 | |
| 258 | D | A | -2.8012 | |
| 259 | L | A | 0.0000 | |
| 260 | A | A | 0.0000 | |
| 261 | K | A | -2.5437 | |
| 262 | Y | A | -1.6643 | |
| 263 | I | A | 0.0000 | |
| 264 | C | A | -2.2171 | |
| 265 | D | A | -2.5881 | |
| 266 | N | A | -2.0522 | |
| 267 | Q | A | -2.3248 | |
| 268 | D | A | -2.7150 | |
| 269 | T | A | -1.8477 | |
| 270 | I | A | 0.0000 | |
| 271 | S | A | 0.0000 | |
| 272 | S | A | -1.8047 | |
| 273 | K | A | -2.5968 | |
| 274 | L | A | 0.0000 | |
| 275 | K | A | -3.5409 | |
| 276 | E | A | -3.5325 | |
| 277 | C | A | 0.0000 | |
| 278 | C | A | -2.8297 | |
| 279 | D | A | -3.1936 | |
| 280 | K | A | -2.4578 | |
| 281 | P | A | -0.7716 | |
| 282 | L | A | 0.1121 | |
| 283 | L | A | -0.0069 | |
| 284 | E | A | -1.0498 | |
| 285 | K | A | -1.3643 | |
| 286 | S | A | -0.6840 | |
| 287 | H | A | -0.7527 | |
| 288 | C | A | -1.3763 | |
| 289 | I | A | 0.0000 | |
| 290 | A | A | -1.2257 | |
| 291 | E | A | -2.3874 | |
| 292 | V | A | 0.0000 | |
| 293 | E | A | -3.0131 | |
| 294 | K | A | -2.5026 | |
| 295 | D | A | 0.0000 | |
| 296 | A | A | -0.7279 | |
| 297 | I | A | -0.4016 | |
| 298 | P | A | -1.1577 | |
| 299 | E | A | -2.2746 | |
| 300 | N | A | -1.9754 | |
| 301 | L | A | -0.8561 | |
| 302 | P | A | -0.7606 | |
| 303 | P | A | -0.7953 | |
| 304 | L | A | 0.0000 | |
| 305 | T | A | -1.3263 | |
| 306 | A | A | -2.0066 | |
| 307 | D | A | -2.9473 | |
| 308 | F | A | 0.0000 | |
| 309 | A | A | 0.0000 | |
| 310 | E | A | -3.2780 | |
| 311 | D | A | -3.5001 | |
| 312 | K | A | -3.7744 | |
| 313 | D | A | -3.6077 | |
| 314 | V | A | 0.0000 | |
| 315 | C | A | -2.8331 | |
| 316 | K | A | -3.8680 | |
| 317 | N | A | -3.7070 | |
| 318 | Y | A | 0.0000 | |
| 319 | Q | A | -3.7622 | |
| 320 | E | A | -3.7495 | |
| 321 | A | A | -2.7737 | |
| 322 | K | A | -3.4914 | |
| 323 | D | A | -2.9228 | |
| 324 | A | A | -1.4065 | |
| 325 | F | A | -1.4524 | |
| 326 | L | A | -1.0118 | |
| 327 | G | A | -0.7052 | |
| 328 | S | A | -0.1323 | |
| 329 | F | A | 0.0000 | |
| 330 | L | A | 0.0000 | |
| 331 | Y | A | 0.0000 | |
| 332 | E | A | -0.7299 | |
| 333 | Y | A | 0.0000 | |
| 334 | S | A | 0.0000 | |
| 335 | R | A | -0.8312 | |
| 336 | R | A | -0.5588 | |
| 337 | H | A | -0.9077 | |
| 338 | P | A | -1.2428 | |
| 339 | E | A | -2.2394 | |
| 340 | Y | A | -1.0108 | |
| 341 | A | A | 0.0000 | |
| 342 | V | A | -0.0972 | |
| 343 | S | A | 0.0000 | |
| 344 | V | A | 0.0000 | |
| 345 | L | A | 0.0000 | |
| 346 | L | A | 0.0000 | |
| 347 | R | A | 0.0000 | |
| 348 | L | A | 0.0000 | |
| 349 | A | A | 0.0000 | |
| 350 | K | A | -1.7350 | |
| 351 | E | A | -1.7552 | |
| 352 | Y | A | 0.0000 | |
| 353 | E | A | -2.2791 | |
| 354 | A | A | -1.9201 | |
| 355 | T | A | 0.0000 | |
| 356 | L | A | 0.0000 | |
| 357 | E | A | -3.2933 | |
| 358 | E | A | -3.0079 | |
| 359 | C | A | 0.0000 | |
| 360 | C | A | -2.3263 | |
| 361 | A | A | -2.2120 | |
| 362 | K | A | -3.5634 | |
| 363 | D | A | -3.4292 | |
| 364 | D | A | -3.1364 | |
| 365 | P | A | -2.3822 | |
| 366 | H | A | -2.0681 | |
| 367 | A | A | -1.2322 | |
| 368 | C | A | -0.8711 | |
| 369 | Y | A | 0.0000 | |
| 370 | S | A | -1.1167 | |
| 371 | T | A | -1.0355 | |
| 372 | V | A | 0.0000 | |
| 373 | F | A | -1.6671 | |
| 374 | D | A | -3.0917 | |
| 375 | K | A | -2.9470 | |
| 376 | L | A | 0.0000 | |
| 377 | K | A | -3.5912 | |
| 378 | H | A | -3.3583 | |
| 379 | L | A | -2.3051 | |
| 380 | V | A | -2.2329 | |
| 381 | D | A | -3.5001 | |
| 382 | E | A | -3.2319 | |
| 383 | P | A | 0.0000 | |
| 384 | Q | A | -2.6104 | |
| 385 | N | A | -2.9689 | |
| 386 | L | A | -2.0105 | |
| 387 | I | A | 0.0000 | |
| 388 | K | A | -3.4991 | |
| 389 | Q | A | -3.2007 | |
| 390 | N | A | -2.4766 | |
| 391 | C | A | 0.0000 | |
| 392 | D | A | -3.7602 | |
| 393 | Q | A | -2.6718 | |
| 394 | F | A | -2.3266 | |
| 395 | E | A | -3.3236 | |
| 396 | K | A | -2.8447 | |
| 397 | L | A | -1.0032 | |
| 398 | G | A | -1.2042 | |
| 399 | E | A | -0.9168 | |
| 400 | Y | A | -0.0092 | |
| 401 | G | A | -0.1410 | |
| 402 | F | A | 0.0000 | |
| 403 | Q | A | 0.0000 | |
| 404 | N | A | -0.2350 | |
| 405 | A | A | -0.3237 | |
| 406 | L | A | 0.0000 | |
| 407 | I | A | 0.0000 | |
| 408 | V | A | 0.0000 | |
| 409 | R | A | -0.6816 | |
| 410 | Y | A | -0.3114 | |
| 411 | T | A | 0.0000 | |
| 412 | R | A | -1.3985 | |
| 413 | K | A | 0.0000 | |
| 414 | V | A | 0.0000 | |
| 415 | P | A | 0.0000 | |
| 416 | Q | A | -1.2854 | |
| 417 | V | A | 0.0000 | |
| 418 | S | A | -0.4334 | |
| 419 | T | A | 0.0000 | |
| 420 | P | A | -0.4756 | |
| 421 | T | A | -0.5557 | |
| 422 | L | A | 0.0000 | |
| 423 | V | A | 0.0000 | |
| 424 | E | A | -1.0913 | |
| 425 | V | A | 0.0000 | |
| 426 | S | A | 0.0000 | |
| 427 | R | A | -0.7126 | |
| 428 | S | A | -0.5961 | |
| 429 | L | A | 0.0000 | |
| 430 | G | A | 0.0000 | |
| 431 | K | A | -0.9621 | |
| 432 | V | A | 0.0000 | |
| 433 | G | A | 0.0000 | |
| 434 | T | A | -1.0742 | |
| 435 | R | A | -1.1063 | |
| 436 | C | A | 0.0000 | |
| 437 | C | A | 0.0000 | |
| 438 | T | A | -1.4193 | |
| 439 | K | A | -2.0676 | |
| 440 | P | A | -2.1915 | |
| 441 | E | A | -3.0864 | |
| 442 | S | A | -2.5210 | |
| 443 | E | A | -3.1109 | |
| 444 | R | A | -2.4631 | |
| 445 | M | A | 0.0000 | |
| 446 | P | A | -0.9885 | |
| 447 | C | A | -0.8902 | |
| 448 | T | A | 0.0000 | |
| 449 | E | A | 0.0000 | |
| 450 | D | A | -0.0674 | |
| 451 | Y | A | 0.0672 | |
| 452 | L | A | 0.2577 | |
| 453 | S | A | -0.0294 | |
| 454 | L | A | 0.0000 | |
| 455 | I | A | -0.0566 | |
| 456 | L | A | 0.0000 | |
| 457 | N | A | 0.0000 | |
| 458 | R | A | -0.6662 | |
| 459 | L | A | 0.0000 | |
| 460 | C | A | 0.0000 | |
| 461 | V | A | -0.8734 | |
| 462 | L | A | -1.0773 | |
| 463 | H | A | 0.0000 | |
| 464 | E | A | -2.4019 | |
| 465 | K | A | -2.5892 | |
| 466 | T | A | -1.2806 | |
| 467 | P | A | -1.4297 | |
| 468 | V | A | -0.7396 | |
| 469 | S | A | 0.0000 | |
| 470 | E | A | -2.4821 | |
| 471 | K | A | -1.7815 | |
| 472 | V | A | 0.0000 | |
| 473 | T | A | -2.1711 | |
| 474 | K | A | -2.8636 | |
| 475 | C | A | 0.0000 | |
| 476 | C | A | 0.0000 | |
| 477 | T | A | -1.8428 | |
| 478 | E | A | -2.3989 | |
| 479 | S | A | -1.5005 | |
| 480 | L | A | -0.5466 | |
| 481 | V | A | 0.0000 | |
| 482 | N | A | -1.1315 | |
| 483 | R | A | 0.0000 | |
| 484 | R | A | 0.0000 | |
| 485 | P | A | -0.3686 | |
| 486 | C | A | -0.5533 | |
| 487 | F | A | 0.0000 | |
| 488 | S | A | -0.0154 | |
| 489 | A | A | 0.1542 | |
| 490 | L | A | -0.0811 | |
| 491 | T | A | -0.6595 | |
| 492 | P | A | -1.5258 | |
| 493 | D | A | -1.7928 | |
| 494 | E | A | -2.2714 | |
| 495 | T | A | -0.7705 | |
| 496 | Y | A | -0.2128 | |
| 497 | V | A | 1.0599 | |
| 498 | P | A | -0.1670 | |
| 499 | K | A | -0.5471 | |
| 500 | A | A | -0.2302 | |
| 501 | F | A | -0.6115 | |
| 502 | D | A | -1.6161 | |
| 503 | E | A | -2.6249 | |
| 504 | K | A | -2.4831 | |
| 505 | L | A | -1.1921 | |
| 506 | F | A | 0.0000 | |
| 507 | T | A | -1.1850 | |
| 508 | F | A | -0.9928 | |
| 509 | H | A | -1.9042 | |
| 510 | A | A | -2.1438 | |
| 511 | D | A | -2.3276 | |
| 512 | I | A | 0.0000 | |
| 513 | C | A | -1.0853 | |
| 514 | T | A | -0.8674 | |
| 515 | L | A | -1.1890 | |
| 516 | P | A | -1.4342 | |
| 517 | D | A | -2.4067 | |
| 518 | T | A | -1.6386 | |
| 519 | E | A | -1.8787 | |
| 520 | K | A | -1.8360 | |
| 521 | Q | A | -1.3416 | |
| 522 | I | A | -1.0081 | |
| 523 | K | A | -1.1780 | |
| 524 | K | A | -0.6169 | |
| 525 | Q | A | 0.0000 | |
| 526 | T | A | -0.4052 | |
| 527 | A | A | 0.0000 | |
| 528 | L | A | 0.0000 | |
| 529 | V | A | 0.0000 | |
| 530 | E | A | 0.0000 | |
| 531 | L | A | 0.0000 | |
| 532 | L | A | 0.0000 | |
| 533 | K | A | 0.0000 | |
| 534 | H | A | -0.6116 | |
| 535 | K | A | -1.1950 | |
| 536 | P | A | -1.4281 | |
| 537 | K | A | -2.3906 | |
| 538 | A | A | 0.0000 | |
| 539 | T | A | -2.3571 | |
| 540 | E | A | -3.4563 | |
| 541 | E | A | -3.4813 | |
| 542 | Q | A | -2.5500 | |
| 543 | L | A | 0.0000 | |
| 544 | K | A | -3.4922 | |
| 545 | T | A | -2.4004 | |
| 546 | V | A | 0.0000 | |
| 547 | M | A | -1.4478 | |
| 548 | E | A | -2.4215 | |
| 549 | N | A | -2.0745 | |
| 550 | F | A | 0.0000 | |
| 551 | V | A | -0.8086 | |
| 552 | A | A | -1.4516 | |
| 553 | F | A | 0.0000 | |
| 554 | V | A | 0.0000 | |
| 555 | D | A | -2.3625 | |
| 556 | K | A | -2.5983 | |
| 557 | C | A | 0.0000 | |
| 558 | C | A | -1.9146 | |
| 559 | A | A | -1.5106 | |
| 560 | A | A | -2.4069 | |
| 561 | D | A | -3.0566 | |
| 562 | D | A | -3.5569 | |
| 563 | K | A | -3.4242 | |
| 564 | E | A | -3.1350 | |
| 565 | A | A | -1.5975 | |
| 566 | C | A | -1.4752 | |
| 567 | F | A | 0.0000 | |
| 568 | A | A | -0.1414 | |
| 569 | V | A | 0.8939 | |
| 570 | E | A | -0.5107 | |
| 571 | G | A | -0.2796 | |
| 572 | P | A | -0.4373 | |
| 573 | K | A | -1.0135 | |
| 574 | L | A | 0.0000 | |
| 575 | V | A | -0.2171 | |
| 576 | V | A | 0.9358 | |
| 577 | S | A | -0.0615 | |
| 578 | T | A | -0.2477 | |
| 579 | Q | A | -0.1153 | |
| 580 | T | A | 0.0410 | |
| 581 | A | A | -0.0669 | |
| 582 | L | A | 0.0000 | |
| 583 | A | A | -0.1996 |
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 | -0.8601 | 2.7597 | View | CSV | PDB |
| 4.5 | -0.9753 | 2.7133 | View | CSV | PDB |
| 5.0 | -1.1175 | 2.6539 | View | CSV | PDB |
| 5.5 | -1.2604 | 2.5888 | View | CSV | PDB |
| 6.0 | -1.3766 | 2.5221 | View | CSV | PDB |
| 6.5 | -1.4472 | 2.4561 | View | CSV | PDB |
| 7.0 | -1.4701 | 2.3919 | View | CSV | PDB |
| 7.5 | -1.4582 | 2.3294 | View | CSV | PDB |
| 8.0 | -1.4258 | 2.2688 | View | CSV | PDB |
| 8.5 | -1.3784 | 2.2121 | View | CSV | PDB |
| 9.0 | -1.3146 | 2.1646 | 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