| Chain sequence(s) |
A: DTHKSEIAHRFKDLGEEHFKGLVLIAFSQYLQQCPFDEHVKLVNELTEFAKTCVADESHAGCEKSSLHTLFGDELCKVASLRRETYGDMADCCEKQEPERNECFLSHKDDSPDLPKLKPDPNTLCDEFKADEKKFWGKYLYEIARRHPYFYAPELLYYANKYNGVFQECCQAEDKGACLLPKIETMRREKVLTSSARQRLRCASIQKFGERALKAWSVARLSQKFPKAEFVEVTKLVTDLTKVHKECCHGDLLECADDRADLAKYICDNQDTISSKLKECCDKPLLEKSHCIAEVEKDAIPENLPPLTADFAEDKDVCKNYQEAKDAFLGSFLYEYSRRHPEYAVSVLLRLAKEYEATLEECCAKDDPHACYSTVFDKLKHLVDEPQNLIKQNCDQFEKLGEYGFQNALIVRYTRKVPQVSTPTLVEVSRSLGKVGTRCCTKPESERMPCTEDYLSLILNRLCVLHEKTPVSEKVTKCCTESLVNRRPCFSALTPDETYVPKAFDEKLFTFHADICTLPDTEKQIKKQTALVELLKHKPKATEEQLKTVMENFVAFVDKCCAADDKEACFAVEGPKLVVSTQTALA
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] (00:00:10)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:10)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with A chain(s) selected (00:00:10)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:10)
[INFO] PDB-Info: The input structure is globular. Max score is recommended for pH analysis. (00:00:12)
[INFO] FoldX: Starting FoldX energy minimalization (00:00:12)
[INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:15:44)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/d8fcd130548bc42/tmp/folded.pdb (00:15:44)
[INFO] Movie: Creting movie with webm format (00:19:44)
[CRITICAL] ffmpeg: OSError while launching ffmpeg. Perhaps it's not installed? (00:19:44)
[INFO] Main: Simulation completed successfully. (00:20:24)
|
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 | D | A | -2.2088 | |
| 2 | T | A | -1.8285 | |
| 3 | H | A | -2.4618 | |
| 4 | K | A | -3.0636 | |
| 5 | S | A | 0.0000 | |
| 6 | E | A | -2.1779 | |
| 7 | I | A | 0.0000 | |
| 8 | A | A | 0.0000 | |
| 9 | H | A | -2.2558 | |
| 10 | R | A | -2.0226 | |
| 11 | F | A | -2.4579 | |
| 12 | K | A | -3.0974 | |
| 13 | D | A | -3.0727 | |
| 14 | L | A | -2.2417 | |
| 15 | G | A | -2.4312 | |
| 16 | E | A | -3.2253 | |
| 17 | E | A | -2.8333 | |
| 18 | H | A | -1.9704 | |
| 19 | F | A | 0.0000 | |
| 20 | K | A | -1.8210 | |
| 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 | -1.5740 | |
| 34 | C | A | 0.0000 | |
| 35 | P | A | -1.1415 | |
| 36 | F | A | -1.4336 | |
| 37 | D | A | -2.3819 | |
| 38 | E | A | -1.9371 | |
| 39 | H | A | 0.0000 | |
| 40 | V | A | -1.6592 | |
| 41 | K | A | -2.3103 | |
| 42 | L | A | -1.7321 | |
| 43 | V | A | 0.0000 | |
| 44 | N | A | -2.2907 | |
| 45 | E | A | -2.9130 | |
| 46 | L | A | 0.0000 | |
| 47 | T | A | 0.0000 | |
| 48 | E | A | -2.9794 | |
| 49 | F | A | -1.6356 | |
| 50 | A | A | 0.0000 | |
| 51 | K | A | -2.6149 | |
| 52 | T | A | -1.8464 | |
| 53 | C | A | 0.0000 | |
| 54 | V | A | -1.3292 | |
| 55 | A | A | -1.3599 | |
| 56 | D | A | -2.7586 | |
| 57 | E | A | -3.0934 | |
| 58 | S | A | -2.2249 | |
| 59 | H | A | -2.1773 | |
| 60 | A | A | -1.3431 | |
| 61 | G | A | -1.2864 | |
| 62 | C | A | 0.0000 | |
| 63 | E | A | -3.1681 | |
| 64 | K | A | -1.9233 | |
| 65 | S | A | -1.2657 | |
| 66 | L | A | -0.6582 | |
| 67 | H | A | -0.7212 | |
| 68 | T | A | 0.0000 | |
| 69 | L | A | 0.0000 | |
| 70 | F | A | -0.1294 | |
| 71 | G | A | 0.0000 | |
| 72 | D | A | -0.8583 | |
| 73 | E | A | -1.2546 | |
| 74 | L | A | 0.0000 | |
| 75 | C | A | -1.4064 | |
| 76 | K | A | -1.7917 | |
| 77 | V | A | 0.0000 | |
| 78 | A | A | -0.9662 | |
| 79 | S | A | -1.4103 | |
| 80 | L | A | 0.0000 | |
| 81 | R | A | -3.4373 | |
| 82 | E | A | -3.0022 | |
| 83 | T | A | -1.9724 | |
| 84 | Y | A | -1.8152 | |
| 85 | G | A | -2.6014 | |
| 86 | D | A | -2.9585 | |
| 87 | M | A | 0.0000 | |
| 88 | A | A | -2.7235 | |
| 89 | D | A | -3.1251 | |
| 90 | C | A | 0.0000 | |
| 91 | C | A | -2.5091 | |
| 92 | E | A | -3.2188 | |
| 93 | K | A | -3.7805 | |
| 94 | Q | A | -3.3132 | |
| 95 | E | A | -3.1901 | |
| 96 | P | A | -2.7743 | |
| 97 | E | A | -3.5929 | |
| 98 | R | A | -3.3422 | |
| 99 | N | A | 0.0000 | |
| 100 | E | A | -2.8096 | |
| 101 | C | A | -1.8755 | |
| 102 | F | A | 0.0000 | |
| 103 | L | A | -0.8366 | |
| 104 | S | A | -0.8634 | |
| 105 | H | A | -1.0594 | |
| 106 | K | A | 0.0000 | |
| 107 | D | A | -1.7820 | |
| 108 | D | A | 0.0000 | |
| 109 | S | A | -1.2005 | |
| 110 | P | A | -1.6434 | |
| 111 | D | A | -2.3589 | |
| 112 | L | A | -1.3663 | |
| 113 | P | A | -1.2677 | |
| 114 | K | A | -1.7079 | |
| 115 | L | A | -0.3696 | |
| 116 | K | A | -1.8276 | |
| 117 | P | A | -1.3922 | |
| 118 | D | A | -2.1540 | |
| 119 | P | A | -2.1576 | |
| 120 | N | A | -2.4737 | |
| 121 | T | A | -1.9611 | |
| 122 | L | A | -1.9954 | |
| 123 | C | A | 0.0000 | |
| 124 | D | A | -3.4282 | |
| 125 | E | A | -3.4495 | |
| 126 | F | A | -3.4035 | |
| 127 | K | A | -3.5850 | |
| 128 | A | A | -2.8216 | |
| 129 | D | A | -3.7361 | |
| 130 | E | A | -4.2995 | |
| 131 | K | A | -4.0455 | |
| 132 | K | A | -3.4457 | |
| 133 | F | A | 0.0000 | |
| 134 | W | A | 0.0000 | |
| 135 | G | A | -1.7569 | |
| 136 | K | A | -1.8295 | |
| 137 | Y | A | -0.8096 | |
| 138 | L | A | 0.0000 | |
| 139 | Y | A | 0.0000 | |
| 140 | E | A | -0.2535 | |
| 141 | I | A | -0.0822 | |
| 142 | A | A | 0.0000 | |
| 143 | R | A | -0.7025 | |
| 144 | R | A | -1.0660 | |
| 145 | H | A | -0.3386 | |
| 146 | P | A | 0.0000 | |
| 147 | Y | A | -0.1793 | |
| 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 | -1.8505 | |
| 159 | K | A | -2.0051 | |
| 160 | Y | A | 0.0000 | |
| 161 | N | A | -2.0548 | |
| 162 | G | A | -1.8517 | |
| 163 | V | A | 0.0000 | |
| 164 | F | A | 0.0000 | |
| 165 | Q | A | -2.8970 | |
| 166 | E | A | -2.7641 | |
| 167 | C | A | 0.0000 | |
| 168 | C | A | 0.0000 | |
| 169 | Q | A | -2.5894 | |
| 170 | A | A | -2.4138 | |
| 171 | E | A | -3.0317 | |
| 172 | D | A | -2.9748 | |
| 173 | K | A | -2.4145 | |
| 174 | G | A | -1.4795 | |
| 175 | A | A | -0.9313 | |
| 176 | C | A | -1.2287 | |
| 177 | L | A | 0.0000 | |
| 178 | L | A | -0.8743 | |
| 179 | P | A | -1.2453 | |
| 180 | K | A | -1.6385 | |
| 181 | I | A | 0.0000 | |
| 182 | E | A | -3.0605 | |
| 183 | T | A | -2.4419 | |
| 184 | M | A | 0.0000 | |
| 185 | R | A | -2.5682 | |
| 186 | E | A | -3.0056 | |
| 187 | K | A | -2.6384 | |
| 188 | V | A | 0.0000 | |
| 189 | L | A | -0.0343 | |
| 190 | T | A | -0.6542 | |
| 191 | S | A | -0.6255 | |
| 192 | S | A | 0.0000 | |
| 193 | A | A | -0.2185 | |
| 194 | R | A | -0.5086 | |
| 195 | Q | A | 0.0000 | |
| 196 | R | A | -0.4418 | |
| 197 | L | A | -0.3180 | |
| 198 | R | A | -0.7071 | |
| 199 | C | A | 0.0000 | |
| 200 | A | A | -0.7970 | |
| 201 | S | A | 0.0000 | |
| 202 | I | A | -1.8533 | |
| 203 | Q | A | -2.0519 | |
| 204 | K | A | -1.9084 | |
| 205 | F | A | -1.4524 | |
| 206 | G | A | -1.9147 | |
| 207 | E | A | -2.9083 | |
| 208 | R | A | -2.9614 | |
| 209 | A | A | -1.7053 | |
| 210 | L | A | 0.0000 | |
| 211 | K | A | -2.3468 | |
| 212 | A | A | -1.3908 | |
| 213 | W | A | -0.7124 | |
| 214 | S | A | 0.0000 | |
| 215 | V | A | 0.0000 | |
| 216 | A | A | 0.0000 | |
| 217 | R | A | -0.7145 | |
| 218 | L | A | 0.0000 | |
| 219 | S | A | 0.0000 | |
| 220 | Q | A | 0.0000 | |
| 221 | K | A | 0.0000 | |
| 222 | F | A | 0.0000 | |
| 223 | P | A | 0.0000 | |
| 224 | K | A | -1.5548 | |
| 225 | A | A | 0.0000 | |
| 226 | E | A | -1.3831 | |
| 227 | F | A | 0.0155 | |
| 228 | V | A | 1.0151 | |
| 229 | E | A | -0.3658 | |
| 230 | V | A | 0.0000 | |
| 231 | T | A | -0.4612 | |
| 232 | K | A | -1.1264 | |
| 233 | L | A | 0.0000 | |
| 234 | V | A | 0.0000 | |
| 235 | T | A | -1.5021 | |
| 236 | D | A | -2.2698 | |
| 237 | L | A | -1.3577 | |
| 238 | T | A | 0.0000 | |
| 239 | K | A | -2.3473 | |
| 240 | V | A | 0.0000 | |
| 241 | H | A | 0.0000 | |
| 242 | K | A | -1.9039 | |
| 243 | E | A | -1.5247 | |
| 244 | C | A | 0.0000 | |
| 245 | C | A | 0.0000 | |
| 246 | H | A | -1.2214 | |
| 247 | G | A | -0.7844 | |
| 248 | D | A | -0.7307 | |
| 249 | L | A | 0.0000 | |
| 250 | L | A | 0.0000 | |
| 251 | E | A | -1.2903 | |
| 252 | C | A | 0.0000 | |
| 253 | A | A | 0.0000 | |
| 254 | D | A | -1.7621 | |
| 255 | D | A | -2.4180 | |
| 256 | R | A | 0.0000 | |
| 257 | A | A | -1.7024 | |
| 258 | D | A | -2.8705 | |
| 259 | L | A | 0.0000 | |
| 260 | A | A | 0.0000 | |
| 261 | K | A | -2.6856 | |
| 262 | Y | A | -1.7117 | |
| 263 | I | A | 0.0000 | |
| 264 | C | A | -2.4564 | |
| 265 | D | A | -2.6115 | |
| 266 | N | A | -2.1345 | |
| 267 | Q | A | -2.3274 | |
| 268 | D | A | -2.7777 | |
| 269 | T | A | -1.9077 | |
| 270 | I | A | 0.0000 | |
| 271 | S | A | 0.0000 | |
| 272 | S | A | -2.1633 | |
| 273 | K | A | -2.6914 | |
| 274 | L | A | 0.0000 | |
| 275 | K | A | -3.5627 | |
| 276 | E | A | -3.4966 | |
| 277 | C | A | 0.0000 | |
| 278 | C | A | -2.8623 | |
| 279 | D | A | -3.1048 | |
| 280 | K | A | -2.3220 | |
| 281 | P | A | -0.8020 | |
| 282 | L | A | -0.0816 | |
| 283 | L | A | -0.0910 | |
| 284 | E | A | -1.0383 | |
| 285 | K | A | -1.5290 | |
| 286 | S | A | 0.0000 | |
| 287 | H | A | -0.7086 | |
| 288 | C | A | -1.4499 | |
| 289 | I | A | 0.0000 | |
| 290 | A | A | -1.2123 | |
| 291 | E | A | -2.3775 | |
| 292 | V | A | 0.0000 | |
| 293 | E | A | -3.1151 | |
| 294 | K | A | -2.6337 | |
| 295 | D | A | 0.0000 | |
| 296 | A | A | -0.6075 | |
| 297 | I | A | -0.3034 | |
| 298 | P | A | -1.0970 | |
| 299 | E | A | -2.1650 | |
| 300 | N | A | -2.0026 | |
| 301 | L | A | -0.9638 | |
| 302 | P | A | -0.9686 | |
| 303 | P | A | -0.7019 | |
| 304 | L | A | -0.6583 | |
| 305 | T | A | -1.0775 | |
| 306 | A | A | -1.5973 | |
| 307 | D | A | -2.8661 | |
| 308 | F | A | 0.0000 | |
| 309 | A | A | 0.0000 | |
| 310 | E | A | -3.1565 | |
| 311 | D | A | -3.4300 | |
| 312 | K | A | -3.4067 | |
| 313 | D | A | -2.9836 | |
| 314 | V | A | 0.0000 | |
| 315 | C | A | -2.4289 | |
| 316 | K | A | -3.4841 | |
| 317 | N | A | -3.2750 | |
| 318 | Y | A | 0.0000 | |
| 319 | Q | A | -3.5603 | |
| 320 | E | A | -3.5115 | |
| 321 | A | A | -2.6095 | |
| 322 | K | A | -3.3396 | |
| 323 | D | A | -2.9747 | |
| 324 | A | A | -1.5100 | |
| 325 | F | A | -1.3660 | |
| 326 | L | A | -1.1383 | |
| 327 | G | A | -0.8793 | |
| 328 | S | A | -0.2947 | |
| 329 | F | A | 0.0000 | |
| 330 | L | A | 0.0000 | |
| 331 | Y | A | 0.0000 | |
| 332 | E | A | -0.7251 | |
| 333 | Y | A | 0.0000 | |
| 334 | S | A | 0.0000 | |
| 335 | R | A | -0.8756 | |
| 336 | R | A | -0.4674 | |
| 337 | H | A | -0.8153 | |
| 338 | P | A | -1.2581 | |
| 339 | E | A | -2.1583 | |
| 340 | Y | A | -0.9976 | |
| 341 | A | A | 0.0000 | |
| 342 | V | A | -0.1017 | |
| 343 | S | A | 0.1121 | |
| 344 | V | A | 0.0000 | |
| 345 | L | A | 0.0000 | |
| 346 | L | A | -0.1186 | |
| 347 | R | A | 0.0000 | |
| 348 | L | A | 0.0000 | |
| 349 | A | A | -0.8907 | |
| 350 | K | A | -1.6473 | |
| 351 | E | A | -1.5313 | |
| 352 | Y | A | 0.0000 | |
| 353 | E | A | -2.5204 | |
| 354 | A | A | -1.9842 | |
| 355 | T | A | 0.0000 | |
| 356 | L | A | 0.0000 | |
| 357 | E | A | -3.2920 | |
| 358 | E | A | -3.0914 | |
| 359 | C | A | 0.0000 | |
| 360 | C | A | -2.3756 | |
| 361 | A | A | -2.3444 | |
| 362 | K | A | -3.6203 | |
| 363 | D | A | -3.4472 | |
| 364 | D | A | -3.1784 | |
| 365 | P | A | -2.5279 | |
| 366 | H | A | -2.0533 | |
| 367 | A | A | -1.1739 | |
| 368 | C | A | -1.0274 | |
| 369 | Y | A | 0.0000 | |
| 370 | S | A | -1.0874 | |
| 371 | T | A | -0.9322 | |
| 372 | V | A | 0.0000 | |
| 373 | F | A | -1.5662 | |
| 374 | D | A | -3.0094 | |
| 375 | K | A | -2.6818 | |
| 376 | L | A | 0.0000 | |
| 377 | K | A | -3.1746 | |
| 378 | H | A | -3.1794 | |
| 379 | L | A | -2.1803 | |
| 380 | V | A | -1.8922 | |
| 381 | D | A | -3.3448 | |
| 382 | E | A | -3.2442 | |
| 383 | P | A | 0.0000 | |
| 384 | Q | A | -2.6528 | |
| 385 | N | A | -2.8558 | |
| 386 | L | A | -1.7913 | |
| 387 | I | A | 0.0000 | |
| 388 | K | A | -3.5230 | |
| 389 | Q | A | -3.0471 | |
| 390 | N | A | -2.5164 | |
| 391 | C | A | 0.0000 | |
| 392 | D | A | -3.8714 | |
| 393 | Q | A | -2.8685 | |
| 394 | F | A | 0.0000 | |
| 395 | E | A | -3.3837 | |
| 396 | K | A | -3.0327 | |
| 397 | L | A | -1.1140 | |
| 398 | G | A | -1.3921 | |
| 399 | E | A | -1.3722 | |
| 400 | Y | A | 0.0868 | |
| 401 | G | A | -0.3037 | |
| 402 | F | A | 0.0000 | |
| 403 | Q | A | 0.0000 | |
| 404 | N | A | -0.2139 | |
| 405 | A | A | -0.4566 | |
| 406 | L | A | 0.0000 | |
| 407 | I | A | 0.0000 | |
| 408 | V | A | -0.6605 | |
| 409 | R | A | -1.1437 | |
| 410 | Y | A | 0.0000 | |
| 411 | T | A | 0.0000 | |
| 412 | R | A | -1.4066 | |
| 413 | K | A | -0.8990 | |
| 414 | V | A | 0.0000 | |
| 415 | P | A | 0.0000 | |
| 416 | Q | A | -1.2437 | |
| 417 | V | A | 0.0000 | |
| 418 | S | A | -0.4165 | |
| 419 | T | A | 0.0000 | |
| 420 | P | A | -0.6865 | |
| 421 | T | A | 0.0000 | |
| 422 | L | A | 0.0000 | |
| 423 | V | A | 0.0000 | |
| 424 | E | A | -1.9996 | |
| 425 | V | A | 0.0000 | |
| 426 | S | A | 0.0000 | |
| 427 | R | A | -1.1239 | |
| 428 | S | A | -0.9525 | |
| 429 | L | A | 0.0000 | |
| 430 | G | A | 0.0000 | |
| 431 | K | A | -1.1623 | |
| 432 | V | A | 0.0000 | |
| 433 | G | A | 0.0000 | |
| 434 | T | A | -1.0997 | |
| 435 | R | A | -0.8404 | |
| 436 | C | A | 0.0000 | |
| 437 | C | A | 0.0000 | |
| 438 | T | A | -1.2670 | |
| 439 | K | A | -1.8358 | |
| 440 | P | A | -2.1171 | |
| 441 | E | A | -3.0414 | |
| 442 | S | A | -2.4190 | |
| 443 | E | A | -2.9682 | |
| 444 | R | A | -2.3235 | |
| 445 | M | A | 0.0000 | |
| 446 | P | A | -1.0210 | |
| 447 | C | A | -0.7134 | |
| 448 | T | A | 0.0000 | |
| 449 | E | A | 0.0000 | |
| 450 | D | A | -0.2690 | |
| 451 | Y | A | -0.0888 | |
| 452 | L | A | 0.1002 | |
| 453 | S | A | -0.0630 | |
| 454 | L | A | 0.0000 | |
| 455 | I | A | -0.2862 | |
| 456 | L | A | 0.0000 | |
| 457 | N | A | 0.0000 | |
| 458 | R | A | -1.0624 | |
| 459 | L | A | 0.0000 | |
| 460 | C | A | 0.0000 | |
| 461 | V | A | 0.0000 | |
| 462 | L | A | -1.0160 | |
| 463 | H | A | 0.0000 | |
| 464 | E | A | -2.0464 | |
| 465 | K | A | -1.9894 | |
| 466 | T | A | -1.0033 | |
| 467 | P | A | -1.1759 | |
| 468 | V | A | -0.5648 | |
| 469 | S | A | 0.0000 | |
| 470 | E | A | -2.2145 | |
| 471 | K | A | -1.4856 | |
| 472 | V | A | 0.0000 | |
| 473 | T | A | -1.7415 | |
| 474 | K | A | -2.0563 | |
| 475 | C | A | 0.0000 | |
| 476 | C | A | 0.0000 | |
| 477 | T | A | -1.5590 | |
| 478 | E | A | -2.0623 | |
| 479 | S | A | -1.1457 | |
| 480 | L | A | -0.2184 | |
| 481 | V | A | -0.0908 | |
| 482 | N | A | -0.4583 | |
| 483 | R | A | 0.0000 | |
| 484 | R | A | 0.0000 | |
| 485 | P | A | -0.1983 | |
| 486 | C | A | -0.2712 | |
| 487 | F | A | 0.0000 | |
| 488 | S | A | 0.0190 | |
| 489 | A | A | 0.0916 | |
| 490 | L | A | -0.0667 | |
| 491 | T | A | -0.6946 | |
| 492 | P | A | -1.3792 | |
| 493 | D | A | -1.3498 | |
| 494 | E | A | -2.0137 | |
| 495 | T | A | -0.6694 | |
| 496 | Y | A | -0.1668 | |
| 497 | V | A | 0.9462 | |
| 498 | P | A | -0.4534 | |
| 499 | K | A | -1.2214 | |
| 500 | A | A | -0.6222 | |
| 501 | F | A | -0.9228 | |
| 502 | D | A | -2.0955 | |
| 503 | E | A | -2.7288 | |
| 504 | K | A | -2.5286 | |
| 505 | L | A | -1.1380 | |
| 506 | F | A | -0.7624 | |
| 507 | T | A | -1.0231 | |
| 508 | F | A | -1.0837 | |
| 509 | H | A | -1.9283 | |
| 510 | A | A | -2.0177 | |
| 511 | D | A | -2.2945 | |
| 512 | I | A | 0.0000 | |
| 513 | C | A | -1.0724 | |
| 514 | T | A | -1.0225 | |
| 515 | L | A | -1.1240 | |
| 516 | P | A | -1.4258 | |
| 517 | D | A | -2.2578 | |
| 518 | T | A | -1.4414 | |
| 519 | E | A | -1.6103 | |
| 520 | K | A | -1.9675 | |
| 521 | Q | A | -1.2408 | |
| 522 | I | A | -1.1067 | |
| 523 | K | A | -1.3241 | |
| 524 | K | A | -0.7116 | |
| 525 | Q | A | 0.0000 | |
| 526 | T | A | -0.5217 | |
| 527 | A | A | -0.1613 | |
| 528 | L | A | 0.0000 | |
| 529 | V | A | 0.0000 | |
| 530 | E | A | -0.4404 | |
| 531 | L | A | -0.1925 | |
| 532 | L | A | 0.0000 | |
| 533 | K | A | 0.0000 | |
| 534 | H | A | -0.8553 | |
| 535 | K | A | -1.1664 | |
| 536 | P | A | -1.3683 | |
| 537 | K | A | -2.3373 | |
| 538 | A | A | 0.0000 | |
| 539 | T | A | -2.3796 | |
| 540 | E | A | -3.4979 | |
| 541 | E | A | -3.5159 | |
| 542 | Q | A | -2.4121 | |
| 543 | L | A | 0.0000 | |
| 544 | K | A | -3.4821 | |
| 545 | T | A | -2.4372 | |
| 546 | V | A | 0.0000 | |
| 547 | M | A | -1.1167 | |
| 548 | E | A | -2.0385 | |
| 549 | N | A | -1.4343 | |
| 550 | F | A | -0.6554 | |
| 551 | V | A | -0.1710 | |
| 552 | A | A | -1.0548 | |
| 553 | F | A | 0.0000 | |
| 554 | V | A | -0.9521 | |
| 555 | D | A | -2.0127 | |
| 556 | K | A | -2.3496 | |
| 557 | C | A | 0.0000 | |
| 558 | C | A | -1.8506 | |
| 559 | A | A | -1.4486 | |
| 560 | A | A | -2.1511 | |
| 561 | D | A | -2.7428 | |
| 562 | D | A | -2.9654 | |
| 563 | K | A | -2.8297 | |
| 564 | E | A | -2.7759 | |
| 565 | A | A | -1.3795 | |
| 566 | C | A | 0.0000 | |
| 567 | F | A | 0.0000 | |
| 568 | A | A | -0.2014 | |
| 569 | V | A | 0.7694 | |
| 570 | E | A | -0.5512 | |
| 571 | G | A | -0.0995 | |
| 572 | P | A | -0.3816 | |
| 573 | K | A | -0.9304 | |
| 574 | L | A | -0.1696 | |
| 575 | V | A | 0.2478 | |
| 576 | V | A | 1.0855 | |
| 577 | S | A | 0.0801 | |
| 578 | T | A | -0.0295 | |
| 579 | Q | A | 0.1038 | |
| 580 | T | A | 0.1497 | |
| 581 | A | A | -0.0217 | |
| 582 | L | A | 0.0000 | |
| 583 | A | A | -0.2289 |
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 | -0.8895 | 2.6892 | View | CSV | PDB |
| 4.5 | -1.0067 | 2.6289 | View | CSV | PDB |
| 5.0 | -1.153 | 2.5609 | View | CSV | PDB |
| 5.5 | -1.302 | 2.4903 | View | CSV | PDB |
| 6.0 | -1.425 | 2.4199 | View | CSV | PDB |
| 6.5 | -1.5009 | 2.3514 | View | CSV | PDB |
| 7.0 | -1.5262 | 2.2856 | View | CSV | PDB |
| 7.5 | -1.5145 | 2.2225 | View | CSV | PDB |
| 8.0 | -1.4815 | 2.1634 | View | CSV | PDB |
| 8.5 | -1.4332 | 2.1131 | View | CSV | PDB |
| 9.0 | -1.3681 | 2.0783 | 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