| Chain sequence(s) |
A: DTHKSEIAHRFKDLGEEHFKGLVLIAFSQYLQQCPFDEHVKLVNELTEFAKTCVADESHAGCEKSLHTLFGDELCKVASLRETYGDMADCCEKQEPERNECFLSHKDDSPDLPKLKPDPNTLCDEFKADEKKFWGKYLYEIARRHPYFYAPELLYYANKYNGVFQECCQAEDKGACLLPKIETMREKVLTSSARQRLRCASIQKFGERALKAWSVARLSQKFPKAEFVEVTKLVTDLTKVHKECCHGDLLECADDRADLAKYICDNQDTISSKLKECCDKPLLEKSHCIAEVEKDAIPENLPPLTADFAEDKDVCKNYQEAKDAFLGSFLYEYSRRHPEYAVSVLLRLAKEYEATLEECCAKDDPHACYSTVFDKLKHLVDEPQNLIKQNCDQFEKLGEYGFQNALIVRYTRKVPQVSTPTLVEVSRSLGKVGTRCCTKPESERMPCTEDYLSLILNRLCVLHEKTPVSEKVTKCCTESLVNRRPCFSALTPDETYVPKAFDEKLFTFHADICTLPDTEKQIKKQTALVELLKHKPKATEEQLKTVMENFVAFVDKCCAADDKEACFAVEGPKLVVSTQTALA
B: DTHKSEIAHRFKDLGEEHFKGLVLIAFSQYLQQCPFDEHVKLVNELTEFAKTCVADESHAGCEKSLHTLFGDELCKVASLRETYGDMADCCEKQEP input PDB |
| Selected Chain(s) | A,B |
| 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] (00:00:00)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:00)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with all chain(s) selected (00:00:00)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:00)
[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 (00:19:08)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/928a074c67d559/tmp/folded.pdb (00:19:08)
[INFO] Main: Simulation completed successfully. (00:24:07)
|
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 | -2.2666 | |
| 2 | T | A | -1.9796 | |
| 3 | H | A | -2.6643 | |
| 4 | K | A | -3.6252 | |
| 5 | S | A | 0.0000 | |
| 6 | E | A | -2.2658 | |
| 7 | I | A | 0.0000 | |
| 8 | A | A | 0.0000 | |
| 9 | H | A | -2.2633 | |
| 10 | R | A | -2.0016 | |
| 11 | F | A | -2.4584 | |
| 12 | K | A | -3.1372 | |
| 13 | D | A | -3.1072 | |
| 14 | L | A | -2.2766 | |
| 15 | G | A | -2.5348 | |
| 16 | E | A | -3.4782 | |
| 17 | E | A | -2.7967 | |
| 18 | H | A | -1.9863 | |
| 19 | F | A | 0.0000 | |
| 20 | K | A | -1.8732 | |
| 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 | -0.2060 | |
| 31 | L | A | 0.0000 | |
| 32 | Q | A | 0.0000 | |
| 33 | Q | A | -1.4370 | |
| 34 | C | A | 0.0000 | |
| 35 | P | A | -1.0626 | |
| 36 | F | A | -1.3762 | |
| 37 | D | A | -2.3421 | |
| 38 | E | A | -1.7751 | |
| 39 | H | A | 0.0000 | |
| 40 | V | A | -1.8540 | |
| 41 | K | A | -2.5085 | |
| 42 | L | A | 0.0000 | |
| 43 | V | A | 0.0000 | |
| 44 | N | A | -2.5045 | |
| 45 | E | A | -3.0728 | |
| 46 | L | A | 0.0000 | |
| 47 | T | A | 0.0000 | |
| 48 | E | A | -2.9628 | |
| 49 | F | A | -1.5941 | |
| 50 | A | A | 0.0000 | |
| 51 | K | A | -2.5578 | |
| 52 | T | A | -1.7444 | |
| 53 | C | A | 0.0000 | |
| 54 | V | A | -1.2837 | |
| 55 | A | A | -1.2018 | |
| 56 | D | A | -2.4619 | |
| 57 | E | A | -3.4942 | |
| 58 | S | A | -2.4217 | |
| 59 | H | A | -2.2038 | |
| 60 | A | A | -1.4146 | |
| 61 | G | A | -1.4665 | |
| 62 | C | A | 0.0000 | |
| 63 | E | A | -3.5050 | |
| 64 | K | A | -2.2470 | |
| 65 | S | A | -1.3263 | |
| 66 | L | A | 0.0000 | |
| 67 | H | A | -0.6448 | |
| 68 | T | A | -0.8698 | |
| 69 | L | A | 0.0000 | |
| 70 | F | A | -0.2519 | |
| 71 | G | A | 0.0000 | |
| 72 | D | A | -0.9652 | |
| 73 | E | A | -1.4758 | |
| 74 | L | A | 0.0000 | |
| 75 | C | A | -1.5426 | |
| 76 | K | A | -1.8928 | |
| 77 | V | A | 0.0000 | |
| 78 | A | A | -0.9771 | |
| 79 | S | A | -1.4228 | |
| 80 | L | A | 0.0000 | |
| 81 | R | A | -3.4917 | |
| 82 | E | A | -3.0077 | |
| 83 | T | A | -1.9587 | |
| 84 | Y | A | -1.8004 | |
| 85 | G | A | -2.6568 | |
| 86 | D | A | -3.0467 | |
| 87 | M | A | 0.0000 | |
| 88 | A | A | -2.8460 | |
| 89 | D | A | -3.3783 | |
| 90 | C | A | 0.0000 | |
| 91 | C | A | -2.5048 | |
| 92 | E | A | -3.3146 | |
| 93 | K | A | -3.6783 | |
| 94 | Q | A | -2.9268 | |
| 95 | E | A | -2.3654 | |
| 96 | P | A | -2.3681 | |
| 97 | E | A | -3.5302 | |
| 98 | R | A | 0.0000 | |
| 99 | N | A | 0.0000 | |
| 100 | E | A | -2.7330 | |
| 101 | C | A | -1.9513 | |
| 102 | F | A | 0.0000 | |
| 103 | L | A | -0.7239 | |
| 104 | S | A | -0.8539 | |
| 105 | H | A | -1.0594 | |
| 106 | K | A | 0.0000 | |
| 107 | D | A | -1.8783 | |
| 108 | D | A | 0.0000 | |
| 109 | S | A | -1.2180 | |
| 110 | P | A | -1.6224 | |
| 111 | D | A | -2.2817 | |
| 112 | L | A | -1.2333 | |
| 113 | P | A | -1.2845 | |
| 114 | K | A | -1.8581 | |
| 115 | L | A | -0.7613 | |
| 116 | K | A | -2.0590 | |
| 117 | P | A | -1.5617 | |
| 118 | D | A | -2.3280 | |
| 119 | P | A | -2.2428 | |
| 120 | N | A | -2.5889 | |
| 121 | T | A | -2.1358 | |
| 122 | L | A | -2.2494 | |
| 123 | C | A | 0.0000 | |
| 124 | D | A | -3.7610 | |
| 125 | E | A | -3.9947 | |
| 126 | F | A | 0.0000 | |
| 127 | K | A | -3.8153 | |
| 128 | A | A | -3.0616 | |
| 129 | D | A | -3.9265 | |
| 130 | E | A | -4.1309 | |
| 131 | K | A | -3.8147 | |
| 132 | K | A | -3.2982 | |
| 133 | F | A | 0.0000 | |
| 134 | W | A | 0.0000 | |
| 135 | G | A | 0.0000 | |
| 136 | K | A | -1.6640 | |
| 137 | Y | A | -0.7035 | |
| 138 | L | A | 0.0000 | |
| 139 | Y | A | 0.0000 | |
| 140 | E | A | -0.3752 | |
| 141 | I | A | 0.0000 | |
| 142 | A | A | 0.0000 | |
| 143 | R | A | -0.7337 | |
| 144 | R | A | -1.1172 | |
| 145 | H | A | -0.5016 | |
| 146 | P | A | 0.0000 | |
| 147 | Y | A | -0.0971 | |
| 148 | F | A | 0.0000 | |
| 149 | Y | A | 0.0000 | |
| 150 | A | A | 0.0000 | |
| 151 | P | A | 0.0000 | |
| 152 | E | A | -0.3715 | |
| 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 | -1.5811 | |
| 159 | K | A | -1.8827 | |
| 160 | Y | A | 0.0000 | |
| 161 | N | A | 0.0000 | |
| 162 | G | A | -1.7262 | |
| 163 | V | A | 0.0000 | |
| 164 | F | A | 0.0000 | |
| 165 | Q | A | -2.8325 | |
| 166 | E | A | -2.6925 | |
| 167 | C | A | -2.2351 | |
| 168 | C | A | 0.0000 | |
| 169 | Q | A | -2.5497 | |
| 170 | A | A | -2.3622 | |
| 171 | E | A | -2.9928 | |
| 172 | D | A | -2.9062 | |
| 173 | K | A | -2.3611 | |
| 174 | G | A | -1.4390 | |
| 175 | A | A | -0.8797 | |
| 176 | C | A | -1.0988 | |
| 177 | L | A | 0.0000 | |
| 178 | L | A | -0.8027 | |
| 179 | P | A | -1.3130 | |
| 180 | K | A | -1.8918 | |
| 181 | I | A | -2.0250 | |
| 182 | E | A | -3.0530 | |
| 183 | T | A | -2.4330 | |
| 184 | M | A | 0.0000 | |
| 185 | R | A | -2.7641 | |
| 186 | E | A | -2.9275 | |
| 187 | K | A | -2.6211 | |
| 188 | V | A | 0.0000 | |
| 189 | L | A | -0.5286 | |
| 190 | T | A | -0.8894 | |
| 191 | S | A | -0.8580 | |
| 192 | S | A | 0.0000 | |
| 193 | A | A | -0.4503 | |
| 194 | R | A | -0.7974 | |
| 195 | Q | A | 0.0000 | |
| 196 | R | A | -0.4944 | |
| 197 | L | A | -0.3810 | |
| 198 | R | A | -0.6903 | |
| 199 | C | A | 0.0000 | |
| 200 | A | A | 0.0000 | |
| 201 | S | A | 0.0000 | |
| 202 | I | A | -1.5547 | |
| 203 | Q | A | -1.7489 | |
| 204 | K | A | -1.4026 | |
| 205 | F | A | -1.0278 | |
| 206 | G | A | -1.6214 | |
| 207 | E | A | -2.5453 | |
| 208 | R | A | -2.7756 | |
| 209 | A | A | -1.5717 | |
| 210 | L | A | 0.0000 | |
| 211 | K | A | -2.1444 | |
| 212 | A | A | -1.3100 | |
| 213 | W | A | -0.6366 | |
| 214 | S | A | 0.0000 | |
| 215 | V | A | 0.0000 | |
| 216 | A | A | 0.0000 | |
| 217 | R | A | -0.4963 | |
| 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 | -1.8360 | |
| 225 | A | A | 0.0000 | |
| 226 | E | A | -1.6473 | |
| 227 | F | A | -0.2531 | |
| 228 | V | A | 0.8704 | |
| 229 | E | A | -0.5314 | |
| 230 | V | A | 0.0000 | |
| 231 | T | A | -0.5398 | |
| 232 | K | A | -1.1927 | |
| 233 | L | A | 0.0000 | |
| 234 | V | A | 0.0000 | |
| 235 | T | A | -1.3415 | |
| 236 | D | A | -1.8537 | |
| 237 | L | A | 0.0000 | |
| 238 | T | A | 0.0000 | |
| 239 | K | A | -1.8340 | |
| 240 | V | A | 0.0000 | |
| 241 | H | A | 0.0000 | |
| 242 | K | A | -1.6129 | |
| 243 | E | A | -1.2709 | |
| 244 | C | A | 0.0000 | |
| 245 | C | A | -0.6987 | |
| 246 | H | A | -1.0821 | |
| 247 | G | A | -0.6779 | |
| 248 | D | A | -0.7130 | |
| 249 | L | A | 0.0000 | |
| 250 | L | A | 0.0000 | |
| 251 | E | A | -1.1771 | |
| 252 | C | A | 0.0000 | |
| 253 | A | A | 0.0000 | |
| 254 | D | A | -1.6324 | |
| 255 | D | A | -2.0257 | |
| 256 | R | A | -1.5138 | |
| 257 | A | A | -1.6940 | |
| 258 | D | A | -2.7445 | |
| 259 | L | A | 0.0000 | |
| 260 | A | A | 0.0000 | |
| 261 | K | A | -2.6785 | |
| 262 | Y | A | -1.7294 | |
| 263 | I | A | 0.0000 | |
| 264 | C | A | -2.4320 | |
| 265 | D | A | -2.5871 | |
| 266 | N | A | -2.0854 | |
| 267 | Q | A | -2.1714 | |
| 268 | D | A | -2.7136 | |
| 269 | T | A | -1.9277 | |
| 270 | I | A | 0.0000 | |
| 271 | S | A | 0.0000 | |
| 272 | S | A | -1.9745 | |
| 273 | K | A | -2.4799 | |
| 274 | L | A | 0.0000 | |
| 275 | K | A | -3.5077 | |
| 276 | E | A | -3.5035 | |
| 277 | C | A | 0.0000 | |
| 278 | C | A | -2.9159 | |
| 279 | D | A | -3.2377 | |
| 280 | K | A | -2.6245 | |
| 281 | P | A | -0.9991 | |
| 282 | L | A | -0.2829 | |
| 283 | L | A | 0.0000 | |
| 284 | E | A | -1.2786 | |
| 285 | K | A | -1.7135 | |
| 286 | S | A | 0.0000 | |
| 287 | H | A | -0.8476 | |
| 288 | C | A | -1.5406 | |
| 289 | I | A | 0.0000 | |
| 290 | A | A | -1.2149 | |
| 291 | E | A | -2.3708 | |
| 292 | V | A | 0.0000 | |
| 293 | E | A | -3.0204 | |
| 294 | K | A | -2.4564 | |
| 295 | D | A | 0.0000 | |
| 296 | A | A | -0.5776 | |
| 297 | I | A | -0.2733 | |
| 298 | P | A | -1.1280 | |
| 299 | E | A | -2.1539 | |
| 300 | N | A | -1.9967 | |
| 301 | L | A | -0.9501 | |
| 302 | P | A | -0.9521 | |
| 303 | P | A | -0.6769 | |
| 304 | L | A | -0.6099 | |
| 305 | T | A | -1.0477 | |
| 306 | A | A | -1.5356 | |
| 307 | D | A | -2.8298 | |
| 308 | F | A | 0.0000 | |
| 309 | A | A | 0.0000 | |
| 310 | E | A | -3.2738 | |
| 311 | D | A | -3.7106 | |
| 312 | K | A | -3.8028 | |
| 313 | D | A | -3.7746 | |
| 314 | V | A | 0.0000 | |
| 315 | C | A | -2.7176 | |
| 316 | K | A | -3.7312 | |
| 317 | N | A | -3.4807 | |
| 318 | Y | A | 0.0000 | |
| 319 | Q | A | -3.5832 | |
| 320 | E | A | -3.5109 | |
| 321 | A | A | -2.6175 | |
| 322 | K | A | -3.3509 | |
| 323 | D | A | -2.7943 | |
| 324 | A | A | -1.4517 | |
| 325 | F | A | -1.3059 | |
| 326 | L | A | -1.0310 | |
| 327 | G | A | -0.8522 | |
| 328 | S | A | -0.2862 | |
| 329 | F | A | 0.0000 | |
| 330 | L | A | 0.0000 | |
| 331 | Y | A | 0.0000 | |
| 332 | E | A | -0.6338 | |
| 333 | Y | A | 0.0000 | |
| 334 | S | A | 0.0000 | |
| 335 | R | A | 0.0000 | |
| 336 | R | A | -0.3565 | |
| 337 | H | A | -0.7283 | |
| 338 | P | A | -1.1404 | |
| 339 | E | A | -2.0850 | |
| 340 | Y | A | -0.9261 | |
| 341 | A | A | 0.0000 | |
| 342 | V | A | -0.0213 | |
| 343 | S | A | -0.0362 | |
| 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 | -0.9095 | |
| 350 | K | A | -1.7838 | |
| 351 | E | A | -1.6297 | |
| 352 | Y | A | 0.0000 | |
| 353 | E | A | -2.1020 | |
| 354 | A | A | -1.7988 | |
| 355 | T | A | 0.0000 | |
| 356 | L | A | 0.0000 | |
| 357 | E | A | -3.2139 | |
| 358 | E | A | -3.0471 | |
| 359 | C | A | 0.0000 | |
| 360 | C | A | -2.4678 | |
| 361 | A | A | -2.3897 | |
| 362 | K | A | -3.6475 | |
| 363 | D | A | -3.4648 | |
| 364 | D | A | -3.1967 | |
| 365 | P | A | -2.5680 | |
| 366 | H | A | -2.2047 | |
| 367 | A | A | -1.1753 | |
| 368 | C | A | -1.0199 | |
| 369 | Y | A | 0.0000 | |
| 370 | S | A | -1.1042 | |
| 371 | T | A | -1.0630 | |
| 372 | V | A | 0.0000 | |
| 373 | F | A | -1.8018 | |
| 374 | D | A | -3.3300 | |
| 375 | K | A | -3.2878 | |
| 376 | L | A | 0.0000 | |
| 377 | K | A | -3.4366 | |
| 378 | H | A | -3.3967 | |
| 379 | L | A | -2.3390 | |
| 380 | V | A | -2.0563 | |
| 381 | D | A | -3.5631 | |
| 382 | E | A | -3.4334 | |
| 383 | P | A | 0.0000 | |
| 384 | Q | A | -3.3209 | |
| 385 | N | A | -3.1728 | |
| 386 | L | A | -1.9867 | |
| 387 | I | A | 0.0000 | |
| 388 | K | A | -3.4968 | |
| 389 | Q | A | -2.9033 | |
| 390 | N | A | -2.3049 | |
| 391 | C | A | 0.0000 | |
| 392 | D | A | -3.1952 | |
| 393 | Q | A | -2.6332 | |
| 394 | F | A | 0.0000 | |
| 395 | E | A | -3.2177 | |
| 396 | K | A | -2.8821 | |
| 397 | L | A | -1.1057 | |
| 398 | G | A | -1.5841 | |
| 399 | E | A | -1.9498 | |
| 400 | Y | A | -0.2256 | |
| 401 | G | A | -0.4943 | |
| 402 | F | A | 0.0000 | |
| 403 | Q | A | -0.8448 | |
| 404 | N | A | -0.3803 | |
| 405 | A | A | -0.5349 | |
| 406 | L | A | 0.0000 | |
| 407 | I | A | 0.0000 | |
| 408 | V | A | 0.0000 | |
| 409 | R | A | -0.8525 | |
| 410 | Y | A | 0.0000 | |
| 411 | T | A | 0.0000 | |
| 412 | R | A | -1.3097 | |
| 413 | K | A | 0.0000 | |
| 414 | V | A | 0.0000 | |
| 415 | P | A | 0.0000 | |
| 416 | Q | A | -1.2913 | |
| 417 | V | A | 0.0000 | |
| 418 | S | A | -0.5023 | |
| 419 | T | A | 0.0000 | |
| 420 | P | A | -0.6947 | |
| 421 | T | A | -0.9124 | |
| 422 | L | A | 0.0000 | |
| 423 | V | A | 0.0000 | |
| 424 | E | A | -1.9903 | |
| 425 | V | A | 0.0000 | |
| 426 | S | A | 0.0000 | |
| 427 | R | A | -1.2912 | |
| 428 | S | A | -1.0914 | |
| 429 | L | A | 0.0000 | |
| 430 | G | A | 0.0000 | |
| 431 | K | A | -1.5843 | |
| 432 | V | A | 0.0000 | |
| 433 | G | A | 0.0000 | |
| 434 | T | A | -1.2618 | |
| 435 | R | A | -0.8543 | |
| 436 | C | A | 0.0000 | |
| 437 | C | A | 0.0000 | |
| 438 | T | A | -1.2440 | |
| 439 | K | A | -1.8002 | |
| 440 | P | A | -2.0695 | |
| 441 | E | A | -2.9931 | |
| 442 | S | A | -2.4118 | |
| 443 | E | A | -2.7886 | |
| 444 | R | A | -2.3576 | |
| 445 | M | A | 0.0000 | |
| 446 | P | A | -1.0068 | |
| 447 | C | A | -0.6598 | |
| 448 | T | A | 0.0000 | |
| 449 | E | A | 0.0000 | |
| 450 | D | A | -0.2210 | |
| 451 | Y | A | -0.1928 | |
| 452 | L | A | 0.0000 | |
| 453 | S | A | -0.2572 | |
| 454 | L | A | 0.0000 | |
| 455 | I | A | -0.3538 | |
| 456 | L | A | 0.0000 | |
| 457 | N | A | 0.0000 | |
| 458 | R | A | -1.0781 | |
| 459 | L | A | 0.0000 | |
| 460 | C | A | 0.0000 | |
| 461 | V | A | 0.0000 | |
| 462 | L | A | -0.9861 | |
| 463 | H | A | 0.0000 | |
| 464 | E | A | -1.9023 | |
| 465 | K | A | -1.9017 | |
| 466 | T | A | -0.9600 | |
| 467 | P | A | -1.1591 | |
| 468 | V | A | -0.6264 | |
| 469 | S | A | 0.0000 | |
| 470 | E | A | -2.2402 | |
| 471 | K | A | -1.4898 | |
| 472 | V | A | 0.0000 | |
| 473 | T | A | -1.7206 | |
| 474 | K | A | -2.0364 | |
| 475 | C | A | 0.0000 | |
| 476 | C | A | 0.0000 | |
| 477 | T | A | -1.4635 | |
| 478 | E | A | -2.1675 | |
| 479 | S | A | -1.3467 | |
| 480 | L | A | -0.4416 | |
| 481 | V | A | 0.0000 | |
| 482 | N | A | -1.1790 | |
| 483 | R | A | 0.0000 | |
| 484 | R | A | 0.0000 | |
| 485 | P | A | -0.4005 | |
| 486 | C | A | -0.4525 | |
| 487 | F | A | 0.0000 | |
| 488 | S | A | 0.0443 | |
| 489 | A | A | 0.1092 | |
| 490 | L | A | -0.0391 | |
| 491 | T | A | -0.6187 | |
| 492 | P | A | -1.2819 | |
| 493 | D | A | -1.3959 | |
| 494 | E | A | -2.0548 | |
| 495 | T | A | -0.6872 | |
| 496 | Y | A | -0.0983 | |
| 497 | V | A | 1.0769 | |
| 498 | P | A | -0.1695 | |
| 499 | K | A | -0.4744 | |
| 500 | A | A | -0.1351 | |
| 501 | F | A | -0.3855 | |
| 502 | D | A | -1.5112 | |
| 503 | E | A | -2.5116 | |
| 504 | K | A | -2.4105 | |
| 505 | L | A | -1.0132 | |
| 506 | F | A | -0.6942 | |
| 507 | T | A | -1.0008 | |
| 508 | F | A | -1.1144 | |
| 509 | H | A | -1.9243 | |
| 510 | A | A | -2.0144 | |
| 511 | D | A | -2.3091 | |
| 512 | I | A | 0.0000 | |
| 513 | C | A | -1.0813 | |
| 514 | T | A | -1.1504 | |
| 515 | L | A | -1.4409 | |
| 516 | P | A | -1.7142 | |
| 517 | D | A | -2.5581 | |
| 518 | T | A | -1.8796 | |
| 519 | E | A | -2.5393 | |
| 520 | K | A | -2.4477 | |
| 521 | Q | A | -1.5515 | |
| 522 | I | A | -1.4235 | |
| 523 | K | A | -1.7467 | |
| 524 | K | A | -0.8566 | |
| 525 | Q | A | 0.0000 | |
| 526 | T | A | -0.5312 | |
| 527 | A | A | -0.1721 | |
| 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 | -0.5077 | |
| 535 | K | A | -1.0677 | |
| 536 | P | A | -1.3275 | |
| 537 | K | A | -2.3469 | |
| 538 | A | A | 0.0000 | |
| 539 | T | A | -2.3256 | |
| 540 | E | A | -3.4152 | |
| 541 | E | A | -3.4501 | |
| 542 | Q | A | -2.3429 | |
| 543 | L | A | 0.0000 | |
| 544 | K | A | -3.4546 | |
| 545 | T | A | -2.4211 | |
| 546 | V | A | 0.0000 | |
| 547 | M | A | -1.0172 | |
| 548 | E | A | -1.8748 | |
| 549 | N | A | -1.3084 | |
| 550 | F | A | -0.3620 | |
| 551 | V | A | 0.4396 | |
| 552 | A | A | -0.6303 | |
| 553 | F | A | 0.0000 | |
| 554 | V | A | -0.5431 | |
| 555 | D | A | -1.5709 | |
| 556 | K | A | -1.6234 | |
| 557 | C | A | 0.0000 | |
| 558 | C | A | -1.6511 | |
| 559 | A | A | -1.2434 | |
| 560 | A | A | -1.9927 | |
| 561 | D | A | -2.7264 | |
| 562 | D | A | -2.9432 | |
| 563 | K | A | -2.6939 | |
| 564 | E | A | -2.7703 | |
| 565 | A | A | -1.3184 | |
| 566 | C | A | -1.1098 | |
| 567 | F | A | 0.0000 | |
| 568 | A | A | -0.1232 | |
| 569 | V | A | 0.8884 | |
| 570 | E | A | -0.2615 | |
| 571 | G | A | 0.0074 | |
| 572 | P | A | -0.3287 | |
| 573 | K | A | -0.8697 | |
| 574 | L | A | -0.1230 | |
| 575 | V | A | 0.3032 | |
| 576 | V | A | 1.1354 | |
| 577 | S | A | 0.1226 | |
| 578 | T | A | 0.0328 | |
| 579 | Q | A | 0.2807 | |
| 580 | T | A | 0.2309 | |
| 581 | A | A | 0.0410 | |
| 582 | L | A | 0.0000 | |
| 583 | A | A | -0.1778 | |
| 1 | D | B | -2.1972 | |
| 2 | T | B | -1.7158 | |
| 3 | H | B | -2.6683 | |
| 4 | K | B | -3.3851 | |
| 5 | S | B | 0.0000 | |
| 6 | E | B | -2.0706 | |
| 7 | I | B | 0.0000 | |
| 8 | A | B | -2.2451 | |
| 9 | H | B | -2.3739 | |
| 10 | R | B | -2.1823 | |
| 11 | F | B | 0.0000 | |
| 12 | K | B | -2.9955 | |
| 13 | D | B | -2.9230 | |
| 14 | L | B | -1.8652 | |
| 15 | G | B | -2.6033 | |
| 16 | E | B | -3.4736 | |
| 17 | E | B | -3.0420 | |
| 18 | H | B | -2.2764 | |
| 19 | F | B | 0.0000 | |
| 20 | K | B | -1.3242 | |
| 21 | G | B | -0.2630 | |
| 22 | L | B | 1.4964 | |
| 23 | V | B | 0.0000 | |
| 24 | L | B | 1.4712 | |
| 25 | I | B | 2.3792 | |
| 26 | A | B | 1.3174 | |
| 27 | F | B | 0.0000 | |
| 28 | S | B | 0.4430 | |
| 29 | Q | B | -0.5408 | |
| 30 | Y | B | 0.4678 | |
| 31 | L | B | 0.0000 | |
| 32 | Q | B | -1.6377 | |
| 33 | Q | B | -1.5384 | |
| 34 | C | B | -0.8098 | |
| 35 | P | B | -0.3526 | |
| 36 | F | B | 0.5433 | |
| 37 | D | B | -1.3216 | |
| 38 | E | B | -1.3251 | |
| 39 | H | B | 0.0000 | |
| 40 | V | B | -1.0076 | |
| 41 | K | B | -2.3876 | |
| 42 | L | B | 0.0000 | |
| 43 | V | B | 0.0000 | |
| 44 | N | B | -2.4005 | |
| 45 | E | B | -3.1031 | |
| 46 | L | B | 0.0000 | |
| 47 | T | B | 0.0000 | |
| 48 | E | B | -2.7064 | |
| 49 | F | B | -1.3901 | |
| 50 | A | B | 0.0000 | |
| 51 | K | B | -2.2056 | |
| 52 | T | B | -1.3940 | |
| 53 | C | B | 0.0000 | |
| 54 | V | B | -1.3541 | |
| 55 | A | B | -1.0638 | |
| 56 | D | B | -2.3392 | |
| 57 | E | B | -3.4462 | |
| 58 | S | B | -2.2689 | |
| 59 | H | B | -1.8041 | |
| 60 | A | B | -1.1351 | |
| 61 | G | B | -1.1497 | |
| 62 | C | B | 0.0000 | |
| 63 | E | B | -3.2121 | |
| 64 | K | B | -1.9700 | |
| 65 | S | B | -1.2528 | |
| 66 | L | B | -0.7644 | |
| 67 | H | B | -1.4592 | |
| 68 | T | B | -1.5187 | |
| 69 | L | B | 0.0000 | |
| 70 | F | B | -0.6215 | |
| 71 | G | B | -1.1717 | |
| 72 | D | B | -1.7796 | |
| 73 | E | B | -1.8223 | |
| 74 | L | B | 0.0000 | |
| 75 | C | B | -1.4976 | |
| 76 | K | B | -1.9530 | |
| 77 | V | B | 0.0000 | |
| 78 | A | B | -1.0422 | |
| 79 | S | B | -1.4202 | |
| 80 | L | B | 0.0000 | |
| 81 | R | B | -3.3994 | |
| 82 | E | B | -2.9658 | |
| 83 | T | B | -1.9298 | |
| 84 | Y | B | -1.9060 | |
| 85 | G | B | -2.3548 | |
| 86 | D | B | -2.8474 | |
| 87 | M | B | -1.7985 | |
| 88 | A | B | -2.5607 | |
| 89 | D | B | -3.1640 | |
| 90 | C | B | -1.9012 | |
| 91 | C | B | -2.4125 | |
| 92 | E | B | -3.0895 | |
| 93 | K | B | -3.6677 | |
| 94 | Q | B | -3.1675 | |
| 95 | E | B | -2.9273 |
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 | -0.9008 | 4.4043 | View | CSV | PDB |
| 4.5 | -1.0242 | 4.2019 | View | CSV | PDB |
| 5.0 | -1.1766 | 3.9781 | View | CSV | PDB |
| 5.5 | -1.3296 | 3.7555 | View | CSV | PDB |
| 6.0 | -1.4542 | 3.552 | View | CSV | PDB |
| 6.5 | -1.5299 | 3.3772 | View | CSV | PDB |
| 7.0 | -1.5548 | 3.4037 | View | CSV | PDB |
| 7.5 | -1.5438 | 3.4387 | View | CSV | PDB |
| 8.0 | -1.5123 | 3.4755 | View | CSV | PDB |
| 8.5 | -1.4657 | 3.5125 | View | CSV | PDB |
| 9.0 | -1.4022 | 3.5486 | 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