| Chain sequence(s) |
A: MKWVTFISLLLLFSSAYSRGVFRRDTHKSEIAHRFKDLGEEHFKGLVLIAFSQYLQQCPFDEHVKLVNELTEFAKTCVADESHAGCEKSLHTLFGDELCKVASLRETYGDMADCCEKQEPERNECFLSHKDDSPDLPKLKPDPNTLCDEFKADEKKFWGKYLYEIARRHPYFYAPELLYYANKYNGVFQECCQAEDKGACLLPKIETMREKVLASSARQRLRCASIQKFGERALKAWSVARLSQKFPKAEFVEVTKLVTDLTKVHKECCHGDLLECADDRADLAKYICDNQDTISSKLKECCDKPLLEKSHCIAEVEKDAIPENLPPLTADFAEDKDVCKNYQEAKDAFLGSFLYEYSRRHPEYAVSVLLRLAKEYEATLEECCAKDDPHACYSTVFDKLKHLVDEPQNLIKQNCDQFEKLGEYGFQNALIVRYTRKVPQVSTPTLVEVSRSLGKVGTRCCTKPESERMPCTEDYLSLILNRLCVLHEKTPVSEKVTKCCTESLVNRRPCFSALTPDETYVPKAFDEKLFTFHADICTLPDTEKQIKKQTALVELLKHKPKATEEQLKTVMENFVAFVDKCCAADDKEACFAVEGPKLVVSTQTALA
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 (00:16:36)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/b208b8deca01efd/tmp/folded.pdb (00:16:36)
[INFO] Main: Simulation completed successfully. (00:19:26)
|
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 | M | A | 1.3023 | |
| 2 | K | A | 0.3293 | |
| 3 | W | A | 2.2500 | |
| 4 | V | A | 3.0298 | |
| 5 | T | A | 2.3828 | |
| 6 | F | A | 3.6581 | |
| 7 | I | A | 3.8034 | |
| 8 | S | A | 3.4616 | |
| 9 | L | A | 4.1696 | |
| 10 | L | A | 4.2501 | |
| 11 | L | A | 4.1394 | |
| 12 | L | A | 3.8432 | |
| 13 | F | A | 3.5842 | |
| 14 | S | A | 2.2663 | |
| 15 | S | A | 1.1677 | |
| 16 | A | A | 0.9148 | |
| 17 | Y | A | 1.4912 | |
| 18 | S | A | -0.4712 | |
| 19 | R | A | -1.4856 | |
| 20 | G | A | -0.4352 | |
| 21 | V | A | 0.9346 | |
| 22 | F | A | 0.3864 | |
| 23 | R | A | -2.2405 | |
| 24 | R | A | -2.8341 | |
| 25 | D | A | -3.4030 | |
| 26 | T | A | -2.7740 | |
| 27 | H | A | -2.9596 | |
| 28 | K | A | -3.3398 | |
| 29 | S | A | 0.0000 | |
| 30 | E | A | -1.9980 | |
| 31 | I | A | 0.0000 | |
| 32 | A | A | 0.0000 | |
| 33 | H | A | -1.7755 | |
| 34 | R | A | 0.0000 | |
| 35 | F | A | 0.0000 | |
| 36 | K | A | -2.9473 | |
| 37 | D | A | -2.8773 | |
| 38 | L | A | -2.1923 | |
| 39 | G | A | -2.5387 | |
| 40 | E | A | -3.3494 | |
| 41 | E | A | -3.1015 | |
| 42 | H | A | -2.0561 | |
| 43 | F | A | 0.0000 | |
| 44 | K | A | -1.9126 | |
| 45 | G | A | 0.0000 | |
| 46 | L | A | 0.0000 | |
| 47 | V | A | 0.0000 | |
| 48 | L | A | 0.0000 | |
| 49 | I | A | 0.0000 | |
| 50 | A | A | 0.0000 | |
| 51 | F | A | 0.0000 | |
| 52 | S | A | 0.0000 | |
| 53 | Q | A | 0.0000 | |
| 54 | Y | A | 0.0000 | |
| 55 | L | A | 0.0000 | |
| 56 | Q | A | 0.0000 | |
| 57 | Q | A | -1.4317 | |
| 58 | C | A | 0.0000 | |
| 59 | P | A | -1.0729 | |
| 60 | F | A | -1.5183 | |
| 61 | D | A | -2.5254 | |
| 62 | E | A | -1.8797 | |
| 63 | H | A | 0.0000 | |
| 64 | V | A | -2.0129 | |
| 65 | K | A | -2.8299 | |
| 66 | L | A | -2.0569 | |
| 67 | V | A | 0.0000 | |
| 68 | N | A | -2.6912 | |
| 69 | E | A | -3.0842 | |
| 70 | L | A | 0.0000 | |
| 71 | T | A | -2.5887 | |
| 72 | E | A | -2.9263 | |
| 73 | F | A | -1.5575 | |
| 74 | A | A | 0.0000 | |
| 75 | K | A | -2.5070 | |
| 76 | T | A | -1.5474 | |
| 77 | C | A | 0.0000 | |
| 78 | V | A | -1.3053 | |
| 79 | A | A | -1.0240 | |
| 80 | D | A | -2.0850 | |
| 81 | E | A | -3.1449 | |
| 82 | S | A | -2.0721 | |
| 83 | H | A | -1.5346 | |
| 84 | A | A | -1.0507 | |
| 85 | G | A | -1.1873 | |
| 86 | C | A | 0.0000 | |
| 87 | E | A | -3.2457 | |
| 88 | K | A | -1.9831 | |
| 89 | S | A | -1.2189 | |
| 90 | L | A | 0.0000 | |
| 91 | H | A | -0.5947 | |
| 92 | T | A | -0.9406 | |
| 93 | L | A | 0.0000 | |
| 94 | F | A | -0.0685 | |
| 95 | G | A | 0.0000 | |
| 96 | D | A | -0.8253 | |
| 97 | E | A | -1.0921 | |
| 98 | L | A | 0.0000 | |
| 99 | C | A | -1.3443 | |
| 100 | K | A | -1.7254 | |
| 101 | V | A | 0.0000 | |
| 102 | A | A | -1.0202 | |
| 103 | S | A | -1.4502 | |
| 104 | L | A | 0.0000 | |
| 105 | R | A | -3.4467 | |
| 106 | E | A | -2.9780 | |
| 107 | T | A | -1.9127 | |
| 108 | Y | A | -1.9565 | |
| 109 | G | A | -2.5915 | |
| 110 | D | A | -3.0858 | |
| 111 | M | A | 0.0000 | |
| 112 | A | A | -2.6128 | |
| 113 | D | A | -3.3580 | |
| 114 | C | A | 0.0000 | |
| 115 | C | A | -2.3957 | |
| 116 | E | A | -3.1927 | |
| 117 | K | A | -3.5167 | |
| 118 | Q | A | -2.7439 | |
| 119 | E | A | -2.1707 | |
| 120 | P | A | -2.0749 | |
| 121 | E | A | -2.9615 | |
| 122 | R | A | 0.0000 | |
| 123 | N | A | 0.0000 | |
| 124 | E | A | -2.5669 | |
| 125 | C | A | -1.9006 | |
| 126 | F | A | 0.0000 | |
| 127 | L | A | -0.9061 | |
| 128 | S | A | -0.8046 | |
| 129 | H | A | -0.9842 | |
| 130 | K | A | 0.0000 | |
| 131 | D | A | -1.2387 | |
| 132 | D | A | -1.1787 | |
| 133 | S | A | -1.1411 | |
| 134 | P | A | -1.4229 | |
| 135 | D | A | -2.2755 | |
| 136 | L | A | -1.4570 | |
| 137 | P | A | -1.5192 | |
| 138 | K | A | -2.2411 | |
| 139 | L | A | -1.3520 | |
| 140 | K | A | -2.2871 | |
| 141 | P | A | -1.8150 | |
| 142 | D | A | -2.0543 | |
| 143 | P | A | -1.9299 | |
| 144 | N | A | -2.6118 | |
| 145 | T | A | -2.1650 | |
| 146 | L | A | -1.8975 | |
| 147 | C | A | 0.0000 | |
| 148 | D | A | -3.5363 | |
| 149 | E | A | -3.5213 | |
| 150 | F | A | -3.2020 | |
| 151 | K | A | -3.4338 | |
| 152 | A | A | -2.7257 | |
| 153 | D | A | -3.2911 | |
| 154 | E | A | -3.5044 | |
| 155 | K | A | -3.4026 | |
| 156 | K | A | -3.1104 | |
| 157 | F | A | 0.0000 | |
| 158 | W | A | -1.6155 | |
| 159 | G | A | -1.5093 | |
| 160 | K | A | -1.4758 | |
| 161 | Y | A | -0.5739 | |
| 162 | L | A | 0.0000 | |
| 163 | Y | A | 0.0000 | |
| 164 | E | A | -0.3508 | |
| 165 | I | A | 0.0000 | |
| 166 | A | A | 0.0000 | |
| 167 | R | A | -0.7168 | |
| 168 | R | A | -1.1487 | |
| 169 | H | A | -0.4022 | |
| 170 | P | A | 0.0000 | |
| 171 | Y | A | 0.0000 | |
| 172 | F | A | 0.0000 | |
| 173 | Y | A | 0.0000 | |
| 174 | A | A | 0.0000 | |
| 175 | P | A | 0.0000 | |
| 176 | E | A | 0.0000 | |
| 177 | L | A | 0.0000 | |
| 178 | L | A | 0.0000 | |
| 179 | Y | A | 0.0000 | |
| 180 | Y | A | 0.0000 | |
| 181 | A | A | 0.0000 | |
| 182 | N | A | -2.1187 | |
| 183 | K | A | -2.1799 | |
| 184 | Y | A | 0.0000 | |
| 185 | N | A | -2.0022 | |
| 186 | G | A | -1.9519 | |
| 187 | V | A | -1.5405 | |
| 188 | F | A | 0.0000 | |
| 189 | Q | A | -2.4612 | |
| 190 | E | A | -2.6885 | |
| 191 | C | A | 0.0000 | |
| 192 | C | A | 0.0000 | |
| 193 | Q | A | -2.6087 | |
| 194 | A | A | -2.6168 | |
| 195 | E | A | -3.0703 | |
| 196 | D | A | -3.1664 | |
| 197 | K | A | -2.5747 | |
| 198 | G | A | -1.4021 | |
| 199 | A | A | -0.8527 | |
| 200 | C | A | -1.1468 | |
| 201 | L | A | 0.0000 | |
| 202 | L | A | -0.5722 | |
| 203 | P | A | -0.9964 | |
| 204 | K | A | -1.2255 | |
| 205 | I | A | 0.0000 | |
| 206 | E | A | -2.9077 | |
| 207 | T | A | -2.2379 | |
| 208 | M | A | -2.0519 | |
| 209 | R | A | -2.5280 | |
| 210 | E | A | -2.8189 | |
| 211 | K | A | -2.0885 | |
| 212 | V | A | 0.0000 | |
| 213 | L | A | -0.0948 | |
| 214 | A | A | -0.5186 | |
| 215 | S | A | 0.0000 | |
| 216 | S | A | -0.2319 | |
| 217 | A | A | -0.2839 | |
| 218 | R | A | -0.5453 | |
| 219 | Q | A | 0.0000 | |
| 220 | R | A | -0.6977 | |
| 221 | L | A | 0.0000 | |
| 222 | R | A | -0.9900 | |
| 223 | C | A | 0.0000 | |
| 224 | A | A | -0.9720 | |
| 225 | S | A | 0.0000 | |
| 226 | I | A | 0.0000 | |
| 227 | Q | A | -1.9540 | |
| 228 | K | A | -1.6352 | |
| 229 | F | A | -1.2229 | |
| 230 | G | A | -1.6841 | |
| 231 | E | A | -2.4535 | |
| 232 | R | A | -2.5906 | |
| 233 | A | A | -1.5041 | |
| 234 | L | A | 0.0000 | |
| 235 | K | A | -1.5654 | |
| 236 | A | A | -1.0411 | |
| 237 | W | A | -0.4408 | |
| 238 | S | A | 0.0000 | |
| 239 | V | A | 0.0000 | |
| 240 | A | A | 0.0000 | |
| 241 | R | A | -0.6082 | |
| 242 | L | A | -0.2533 | |
| 243 | S | A | 0.0000 | |
| 244 | Q | A | 0.0000 | |
| 245 | K | A | -1.2714 | |
| 246 | F | A | 0.0000 | |
| 247 | P | A | 0.0000 | |
| 248 | K | A | -1.3727 | |
| 249 | A | A | 0.0000 | |
| 250 | E | A | -1.3924 | |
| 251 | F | A | -0.0379 | |
| 252 | V | A | 1.0088 | |
| 253 | E | A | -0.3007 | |
| 254 | V | A | 0.0000 | |
| 255 | T | A | -0.1702 | |
| 256 | K | A | -0.5128 | |
| 257 | L | A | 0.0000 | |
| 258 | V | A | 0.0000 | |
| 259 | T | A | -0.9144 | |
| 260 | D | A | -1.3004 | |
| 261 | L | A | -0.5653 | |
| 262 | T | A | 0.0000 | |
| 263 | K | A | -1.4298 | |
| 264 | V | A | 0.0000 | |
| 265 | H | A | 0.0000 | |
| 266 | K | A | -1.3696 | |
| 267 | E | A | -1.0699 | |
| 268 | C | A | 0.0000 | |
| 269 | C | A | 0.0000 | |
| 270 | H | A | -1.0340 | |
| 271 | G | A | -0.6704 | |
| 272 | D | A | -0.6838 | |
| 273 | L | A | 0.0000 | |
| 274 | L | A | 0.0000 | |
| 275 | E | A | -0.8153 | |
| 276 | C | A | 0.0000 | |
| 277 | A | A | 0.0000 | |
| 278 | D | A | -1.3996 | |
| 279 | D | A | -1.6640 | |
| 280 | R | A | 0.0000 | |
| 281 | A | A | -1.5949 | |
| 282 | D | A | -2.5041 | |
| 283 | L | A | 0.0000 | |
| 284 | A | A | 0.0000 | |
| 285 | K | A | -2.6389 | |
| 286 | Y | A | -1.6994 | |
| 287 | I | A | 0.0000 | |
| 288 | C | A | -2.4452 | |
| 289 | D | A | -2.5834 | |
| 290 | N | A | -1.9924 | |
| 291 | Q | A | -2.3877 | |
| 292 | D | A | -2.7441 | |
| 293 | T | A | -1.7612 | |
| 294 | I | A | 0.0000 | |
| 295 | S | A | 0.0000 | |
| 296 | S | A | -2.0282 | |
| 297 | K | A | -2.6783 | |
| 298 | L | A | 0.0000 | |
| 299 | K | A | -3.5777 | |
| 300 | E | A | -3.4087 | |
| 301 | C | A | 0.0000 | |
| 302 | C | A | -2.7074 | |
| 303 | D | A | -2.9014 | |
| 304 | K | A | -2.0894 | |
| 305 | P | A | -0.8294 | |
| 306 | L | A | -0.4929 | |
| 307 | L | A | 0.0000 | |
| 308 | E | A | -1.2461 | |
| 309 | K | A | -1.4191 | |
| 310 | S | A | 0.0000 | |
| 311 | H | A | -0.5401 | |
| 312 | C | A | -1.0696 | |
| 313 | I | A | 0.0000 | |
| 314 | A | A | -0.7134 | |
| 315 | E | A | -1.3885 | |
| 316 | V | A | 0.0000 | |
| 317 | E | A | -2.6129 | |
| 318 | K | A | -1.8938 | |
| 319 | D | A | -1.1629 | |
| 320 | A | A | -0.5479 | |
| 321 | I | A | -0.1492 | |
| 322 | P | A | -1.0187 | |
| 323 | E | A | -2.2544 | |
| 324 | N | A | -2.0019 | |
| 325 | L | A | -1.0308 | |
| 326 | P | A | -1.0011 | |
| 327 | P | A | -0.7384 | |
| 328 | L | A | -0.7526 | |
| 329 | T | A | -1.2817 | |
| 330 | A | A | -2.0142 | |
| 331 | D | A | -3.0382 | |
| 332 | F | A | 0.0000 | |
| 333 | A | A | 0.0000 | |
| 334 | E | A | -3.4021 | |
| 335 | D | A | -3.8037 | |
| 336 | K | A | -3.9146 | |
| 337 | D | A | -3.8927 | |
| 338 | V | A | 0.0000 | |
| 339 | C | A | -2.7187 | |
| 340 | K | A | -3.7225 | |
| 341 | N | A | -3.4740 | |
| 342 | Y | A | 0.0000 | |
| 343 | Q | A | -3.5875 | |
| 344 | E | A | -3.4761 | |
| 345 | A | A | -2.4809 | |
| 346 | K | A | -2.6685 | |
| 347 | D | A | -2.6681 | |
| 348 | A | A | -1.2639 | |
| 349 | F | A | 0.0000 | |
| 350 | L | A | -0.9620 | |
| 351 | G | A | -0.6480 | |
| 352 | S | A | -0.3230 | |
| 353 | F | A | 0.0000 | |
| 354 | L | A | 0.0000 | |
| 355 | Y | A | 0.0000 | |
| 356 | E | A | -0.7467 | |
| 357 | Y | A | 0.0000 | |
| 358 | S | A | 0.0000 | |
| 359 | R | A | -0.5691 | |
| 360 | R | A | -0.3088 | |
| 361 | H | A | -0.4551 | |
| 362 | P | A | -0.8139 | |
| 363 | E | A | -1.4345 | |
| 364 | Y | A | -0.5096 | |
| 365 | A | A | 0.0000 | |
| 366 | V | A | 0.0000 | |
| 367 | S | A | 0.0000 | |
| 368 | V | A | 0.0000 | |
| 369 | L | A | 0.0000 | |
| 370 | L | A | 0.0000 | |
| 371 | R | A | 0.0000 | |
| 372 | L | A | 0.0000 | |
| 373 | A | A | 0.0000 | |
| 374 | K | A | -1.5775 | |
| 375 | E | A | -1.4543 | |
| 376 | Y | A | 0.0000 | |
| 377 | E | A | -1.6478 | |
| 378 | A | A | -1.7147 | |
| 379 | T | A | 0.0000 | |
| 380 | L | A | 0.0000 | |
| 381 | E | A | -3.0389 | |
| 382 | E | A | -2.9345 | |
| 383 | C | A | 0.0000 | |
| 384 | C | A | -2.2520 | |
| 385 | A | A | -2.1025 | |
| 386 | K | A | -3.3521 | |
| 387 | D | A | -3.2369 | |
| 388 | D | A | -2.9062 | |
| 389 | P | A | -2.5444 | |
| 390 | H | A | -2.1682 | |
| 391 | A | A | -1.2819 | |
| 392 | C | A | -1.0011 | |
| 393 | Y | A | 0.0000 | |
| 394 | S | A | -1.1129 | |
| 395 | T | A | -1.0428 | |
| 396 | V | A | 0.0000 | |
| 397 | F | A | -1.4862 | |
| 398 | D | A | -2.9297 | |
| 399 | K | A | -2.7085 | |
| 400 | L | A | 0.0000 | |
| 401 | K | A | -3.2201 | |
| 402 | H | A | -2.7221 | |
| 403 | L | A | 0.0000 | |
| 404 | V | A | -1.4311 | |
| 405 | D | A | -2.0796 | |
| 406 | E | A | -1.6942 | |
| 407 | P | A | 0.0000 | |
| 408 | Q | A | -2.1019 | |
| 409 | N | A | -2.3819 | |
| 410 | L | A | -1.5150 | |
| 411 | I | A | 0.0000 | |
| 412 | K | A | -3.2898 | |
| 413 | Q | A | -2.8943 | |
| 414 | N | A | -2.3790 | |
| 415 | C | A | 0.0000 | |
| 416 | D | A | -3.6383 | |
| 417 | Q | A | -2.6897 | |
| 418 | F | A | -2.3105 | |
| 419 | E | A | -3.2207 | |
| 420 | K | A | -2.8579 | |
| 421 | L | A | -1.0841 | |
| 422 | G | A | -1.1159 | |
| 423 | E | A | -1.0378 | |
| 424 | Y | A | -0.1236 | |
| 425 | G | A | -0.4441 | |
| 426 | F | A | 0.0000 | |
| 427 | Q | A | 0.0000 | |
| 428 | N | A | -0.4301 | |
| 429 | A | A | -0.4193 | |
| 430 | L | A | 0.0000 | |
| 431 | I | A | 0.0000 | |
| 432 | V | A | -0.5399 | |
| 433 | R | A | -0.7234 | |
| 434 | Y | A | 0.0000 | |
| 435 | T | A | 0.0000 | |
| 436 | R | A | -1.0869 | |
| 437 | K | A | 0.0000 | |
| 438 | V | A | 0.0000 | |
| 439 | P | A | 0.0000 | |
| 440 | Q | A | -0.2968 | |
| 441 | V | A | 0.0000 | |
| 442 | S | A | -0.2328 | |
| 443 | T | A | 0.0000 | |
| 444 | P | A | -0.6426 | |
| 445 | T | A | -0.8119 | |
| 446 | L | A | 0.0000 | |
| 447 | V | A | 0.0000 | |
| 448 | E | A | -1.7117 | |
| 449 | V | A | 0.0000 | |
| 450 | S | A | 0.0000 | |
| 451 | R | A | -0.9536 | |
| 452 | S | A | -0.7291 | |
| 453 | L | A | 0.0000 | |
| 454 | G | A | 0.0000 | |
| 455 | K | A | -0.8439 | |
| 456 | V | A | 0.0000 | |
| 457 | G | A | 0.0000 | |
| 458 | T | A | -0.9348 | |
| 459 | R | A | -0.8200 | |
| 460 | C | A | 0.0000 | |
| 461 | C | A | 0.0000 | |
| 462 | T | A | -1.2226 | |
| 463 | K | A | -1.8190 | |
| 464 | P | A | -2.0787 | |
| 465 | E | A | -3.0510 | |
| 466 | S | A | -2.2084 | |
| 467 | E | A | -2.5718 | |
| 468 | R | A | -2.2745 | |
| 469 | M | A | 0.0000 | |
| 470 | P | A | -0.8232 | |
| 471 | C | A | -0.6653 | |
| 472 | T | A | -0.2921 | |
| 473 | E | A | 0.0000 | |
| 474 | D | A | -0.1528 | |
| 475 | Y | A | 0.0647 | |
| 476 | L | A | 0.2072 | |
| 477 | S | A | -0.0901 | |
| 478 | L | A | 0.0000 | |
| 479 | I | A | 0.0000 | |
| 480 | L | A | 0.0000 | |
| 481 | N | A | 0.0000 | |
| 482 | R | A | -0.9012 | |
| 483 | L | A | 0.0000 | |
| 484 | C | A | 0.0000 | |
| 485 | V | A | 0.0000 | |
| 486 | L | A | -1.2297 | |
| 487 | H | A | 0.0000 | |
| 488 | E | A | -2.6375 | |
| 489 | K | A | -2.6343 | |
| 490 | T | A | -1.3619 | |
| 491 | P | A | -1.2478 | |
| 492 | V | A | -0.3652 | |
| 493 | S | A | 0.0000 | |
| 494 | E | A | -2.1511 | |
| 495 | K | A | -1.3750 | |
| 496 | V | A | 0.0000 | |
| 497 | T | A | -1.8066 | |
| 498 | K | A | -2.1292 | |
| 499 | C | A | 0.0000 | |
| 500 | C | A | 0.0000 | |
| 501 | T | A | -1.4245 | |
| 502 | E | A | -2.1513 | |
| 503 | S | A | -1.2073 | |
| 504 | L | A | 0.0000 | |
| 505 | V | A | -0.4341 | |
| 506 | N | A | -0.8892 | |
| 507 | R | A | 0.0000 | |
| 508 | R | A | 0.0000 | |
| 509 | P | A | -0.1909 | |
| 510 | C | A | -0.4130 | |
| 511 | F | A | 0.0000 | |
| 512 | S | A | -0.0846 | |
| 513 | A | A | 0.0919 | |
| 514 | L | A | -0.0483 | |
| 515 | T | A | -0.5128 | |
| 516 | P | A | -1.0988 | |
| 517 | D | A | 0.0000 | |
| 518 | E | A | -1.8129 | |
| 519 | T | A | -0.4672 | |
| 520 | Y | A | 0.1429 | |
| 521 | V | A | 1.1415 | |
| 522 | P | A | -0.2736 | |
| 523 | K | A | -0.6946 | |
| 524 | A | A | -0.6010 | |
| 525 | F | A | -1.1828 | |
| 526 | D | A | -2.1504 | |
| 527 | E | A | -2.6540 | |
| 528 | K | A | -2.6348 | |
| 529 | L | A | -1.3980 | |
| 530 | F | A | 0.0000 | |
| 531 | T | A | -1.3938 | |
| 532 | F | A | 0.0000 | |
| 533 | H | A | -1.9762 | |
| 534 | A | A | -2.1237 | |
| 535 | D | A | -2.2842 | |
| 536 | I | A | 0.0000 | |
| 537 | C | A | -1.2193 | |
| 538 | T | A | -0.8570 | |
| 539 | L | A | -1.2127 | |
| 540 | P | A | -1.4503 | |
| 541 | D | A | -2.3588 | |
| 542 | T | A | -1.5226 | |
| 543 | E | A | -1.8062 | |
| 544 | K | A | -1.7638 | |
| 545 | Q | A | -1.2617 | |
| 546 | I | A | -0.8847 | |
| 547 | K | A | -1.2272 | |
| 548 | K | A | -0.7339 | |
| 549 | Q | A | 0.0000 | |
| 550 | T | A | -0.4946 | |
| 551 | A | A | 0.0000 | |
| 552 | L | A | 0.0000 | |
| 553 | V | A | 0.0000 | |
| 554 | E | A | -0.4766 | |
| 555 | L | A | 0.0000 | |
| 556 | L | A | 0.0000 | |
| 557 | K | A | 0.0000 | |
| 558 | H | A | -0.8483 | |
| 559 | K | A | -1.2710 | |
| 560 | P | A | -1.3889 | |
| 561 | K | A | -2.4503 | |
| 562 | A | A | 0.0000 | |
| 563 | T | A | -2.3305 | |
| 564 | E | A | -3.3856 | |
| 565 | E | A | -3.4017 | |
| 566 | Q | A | -2.5762 | |
| 567 | L | A | 0.0000 | |
| 568 | K | A | -3.4935 | |
| 569 | T | A | -2.4594 | |
| 570 | V | A | 0.0000 | |
| 571 | M | A | -1.6641 | |
| 572 | E | A | -2.3706 | |
| 573 | N | A | -1.7787 | |
| 574 | F | A | 0.0000 | |
| 575 | V | A | -0.9198 | |
| 576 | A | A | -1.3863 | |
| 577 | F | A | 0.0000 | |
| 578 | V | A | 0.0000 | |
| 579 | D | A | -2.3337 | |
| 580 | K | A | -2.3485 | |
| 581 | C | A | 0.0000 | |
| 582 | C | A | -2.0983 | |
| 583 | A | A | -1.6276 | |
| 584 | A | A | -2.3709 | |
| 585 | D | A | -2.9496 | |
| 586 | D | A | -3.2955 | |
| 587 | K | A | -3.1468 | |
| 588 | E | A | -2.5180 | |
| 589 | A | A | -1.1981 | |
| 590 | C | A | -1.0630 | |
| 591 | F | A | 0.0000 | |
| 592 | A | A | 0.0367 | |
| 593 | V | A | 1.1725 | |
| 594 | E | A | -0.1733 | |
| 595 | G | A | 0.0000 | |
| 596 | P | A | -0.4859 | |
| 597 | K | A | -0.9728 | |
| 598 | L | A | 0.0000 | |
| 599 | V | A | -0.4104 | |
| 600 | V | A | 0.8009 | |
| 601 | S | A | 0.0495 | |
| 602 | T | A | 0.0000 | |
| 603 | Q | A | -0.0900 | |
| 604 | T | A | 0.1567 | |
| 605 | A | A | -0.4478 | |
| 606 | L | A | 0.0000 | |
| 607 | A | A | -0.2013 |
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 | -0.712 | 6.1362 | View | CSV | PDB |
| 4.5 | -0.8201 | 6.1423 | View | CSV | PDB |
| 5.0 | -0.9534 | 6.1593 | View | CSV | PDB |
| 5.5 | -1.088 | 6.1991 | View | CSV | PDB |
| 6.0 | -1.1983 | 6.2688 | View | CSV | PDB |
| 6.5 | -1.2647 | 6.3612 | View | CSV | PDB |
| 7.0 | -1.285 | 6.4646 | View | CSV | PDB |
| 7.5 | -1.2728 | 6.5719 | View | CSV | PDB |
| 8.0 | -1.2421 | 6.6802 | View | CSV | PDB |
| 8.5 | -1.1976 | 6.788 | View | CSV | PDB |
| 9.0 | -1.1381 | 6.8927 | 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