| Chain sequence(s) |
A: MRKEAIHHRSTDNFAYAYDSETLHLRLQTKKNDVDHVELLFGDPYEWHDGAWQFQTMPMRKTGSDGLFDYWLAEVKPPYRRLRYGFVLRAGGEKLVYTEKGFYHEAPSDDTAYYFCFPFLHRVDLFQAPDWVKDTVWYQIFPERFANGNPAISPKGARPWGSEDPTPTSFFGGDLQGIIDHLDYLADLGITGIYLTPIFRAPSNHKYDTADYFEIDPHFGDKETLKTLVKRCHEKGIRVMLDAVFNHCGYEFAPFQDVLKNGAASRYKDWFHIREFPLQTEPRPNYDTFAFVPHMPKLNTAHPEVKRYLLDVATYWIREFDIDGWRLDVANEIDHQFWREFRQAVKALKPDVYILGEIWHDAMPWLRGDQFDAVMNYPLADAALRFFAKEDMSASEFADRLMHVLHSYPKQVNEAAFNLLGSHDTPRLLTVCGGDVRKVKLLFLFQLTFTGSPCIYYGDEIGMTGGNDPECRKCMVWDPEKQNKELYEHVKQLIALRKQYRALRRGDVAFLTADDEVNHLVYAKTDGNETVMIIINRSNEAAEIPMPIDARGKWLVNLLTGERFAAEAETLCVSLPPYGFVLYAVESW
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] (00:00:00)
[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 A 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 (00:09:16)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/1725963d1d69380/tmp/folded.pdb (00:09:16)
[INFO] Main: Simulation completed successfully. (00:13:53)
|
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 | -2.0703 | |
| 2 | R | A | -3.2562 | |
| 3 | K | A | -3.4921 | |
| 4 | E | A | -3.3801 | |
| 5 | A | A | 0.0000 | |
| 6 | I | A | 0.0000 | |
| 7 | H | A | -2.0863 | |
| 8 | H | A | 0.0000 | |
| 9 | R | A | -2.3695 | |
| 10 | S | A | -1.1982 | |
| 11 | T | A | -0.9099 | |
| 12 | D | A | -1.0153 | |
| 13 | N | A | -0.6700 | |
| 14 | F | A | -0.5299 | |
| 15 | A | A | 0.0000 | |
| 16 | Y | A | -0.4045 | |
| 17 | A | A | -1.3533 | |
| 18 | Y | A | -1.2045 | |
| 19 | D | A | -1.9276 | |
| 20 | S | A | -2.2706 | |
| 21 | E | A | -2.8980 | |
| 22 | T | A | 0.0000 | |
| 23 | L | A | 0.0000 | |
| 24 | H | A | 0.0000 | |
| 25 | L | A | 0.0000 | |
| 26 | R | A | 0.0000 | |
| 27 | L | A | 0.0000 | |
| 28 | Q | A | -0.7272 | |
| 29 | T | A | 0.0000 | |
| 30 | K | A | -2.5907 | |
| 31 | K | A | -2.3859 | |
| 32 | N | A | -2.7370 | |
| 33 | D | A | -2.8337 | |
| 34 | V | A | 0.0000 | |
| 35 | D | A | -3.0860 | |
| 36 | H | A | -3.0118 | |
| 37 | V | A | 0.0000 | |
| 38 | E | A | -0.8300 | |
| 39 | L | A | 0.0000 | |
| 40 | L | A | 0.0000 | |
| 41 | F | A | 0.0000 | |
| 42 | G | A | 0.0000 | |
| 43 | D | A | 0.0000 | |
| 44 | P | A | 0.0489 | |
| 45 | Y | A | 0.6379 | |
| 46 | E | A | -0.5639 | |
| 47 | W | A | -1.1457 | |
| 48 | H | A | -2.0655 | |
| 49 | D | A | -2.6904 | |
| 50 | G | A | -2.2481 | |
| 51 | A | A | -2.1390 | |
| 52 | W | A | 0.0000 | |
| 53 | Q | A | -1.8879 | |
| 54 | F | A | -0.7945 | |
| 55 | Q | A | -1.1681 | |
| 56 | T | A | -0.5280 | |
| 57 | M | A | -0.4781 | |
| 58 | P | A | -1.0025 | |
| 59 | M | A | 0.0000 | |
| 60 | R | A | -3.0725 | |
| 61 | K | A | -2.9996 | |
| 62 | T | A | -1.5276 | |
| 63 | G | A | -0.8705 | |
| 64 | S | A | -1.2932 | |
| 65 | D | A | -1.2935 | |
| 66 | G | A | -1.1379 | |
| 67 | L | A | -0.1631 | |
| 68 | F | A | -0.6645 | |
| 69 | D | A | -1.3998 | |
| 70 | Y | A | 0.0000 | |
| 71 | W | A | 0.0000 | |
| 72 | L | A | -1.2439 | |
| 73 | A | A | 0.0000 | |
| 74 | E | A | -2.2981 | |
| 75 | V | A | 0.0000 | |
| 76 | K | A | -2.7668 | |
| 77 | P | A | 0.0000 | |
| 78 | P | A | -0.5376 | |
| 79 | Y | A | 0.4790 | |
| 80 | R | A | -0.8505 | |
| 81 | R | A | -0.2317 | |
| 82 | L | A | 0.0000 | |
| 83 | R | A | -0.1948 | |
| 84 | Y | A | 0.0000 | |
| 85 | G | A | 0.0000 | |
| 86 | F | A | 0.0000 | |
| 87 | V | A | 0.0000 | |
| 88 | L | A | 0.0000 | |
| 89 | R | A | -2.3926 | |
| 90 | A | A | -2.2909 | |
| 91 | G | A | -1.9001 | |
| 92 | G | A | -1.5512 | |
| 93 | E | A | -2.1032 | |
| 94 | K | A | -2.1759 | |
| 95 | L | A | 0.0000 | |
| 96 | V | A | 0.0000 | |
| 97 | Y | A | -0.9556 | |
| 98 | T | A | 0.0000 | |
| 99 | E | A | -2.9278 | |
| 100 | K | A | -2.3862 | |
| 101 | G | A | -1.0828 | |
| 102 | F | A | -0.6304 | |
| 103 | Y | A | -0.6917 | |
| 104 | H | A | -1.8462 | |
| 105 | E | A | -2.1566 | |
| 106 | A | A | -1.0321 | |
| 107 | P | A | -1.1168 | |
| 108 | S | A | -1.5377 | |
| 109 | D | A | -2.5483 | |
| 110 | D | A | -1.7763 | |
| 111 | T | A | -0.7596 | |
| 112 | A | A | -0.9519 | |
| 113 | Y | A | -1.2237 | |
| 114 | Y | A | 0.0000 | |
| 115 | F | A | 0.0000 | |
| 116 | C | A | -0.4122 | |
| 117 | F | A | 0.1310 | |
| 118 | P | A | -0.0882 | |
| 119 | F | A | 0.0511 | |
| 120 | L | A | 0.0000 | |
| 121 | H | A | -1.8302 | |
| 122 | R | A | -2.2996 | |
| 123 | V | A | -0.4142 | |
| 124 | D | A | -2.1395 | |
| 125 | L | A | 0.0000 | |
| 126 | F | A | 0.0000 | |
| 127 | Q | A | -2.0567 | |
| 128 | A | A | -1.3042 | |
| 129 | P | A | 0.0000 | |
| 130 | D | A | -2.2852 | |
| 131 | W | A | -1.2325 | |
| 132 | V | A | 0.0000 | |
| 133 | K | A | -1.2163 | |
| 134 | D | A | -1.3921 | |
| 135 | T | A | 0.0000 | |
| 136 | V | A | 0.0000 | |
| 137 | W | A | 0.0000 | |
| 138 | Y | A | 0.0000 | |
| 139 | Q | A | 0.0000 | |
| 140 | I | A | 0.0000 | |
| 141 | F | A | 0.0000 | |
| 142 | P | A | 0.0000 | |
| 143 | E | A | 0.0000 | |
| 144 | R | A | 0.0000 | |
| 145 | F | A | 0.0000 | |
| 146 | A | A | 0.0000 | |
| 147 | N | A | -1.0993 | |
| 148 | G | A | 0.0000 | |
| 149 | N | A | -1.4985 | |
| 150 | P | A | -0.8601 | |
| 151 | A | A | -0.4366 | |
| 152 | I | A | -0.2037 | |
| 153 | S | A | -0.4188 | |
| 154 | P | A | -0.9499 | |
| 155 | K | A | -1.9295 | |
| 156 | G | A | -1.2767 | |
| 157 | A | A | -1.2127 | |
| 158 | R | A | -1.9236 | |
| 159 | P | A | -1.1176 | |
| 160 | W | A | -0.4978 | |
| 161 | G | A | -1.2608 | |
| 162 | S | A | -1.4897 | |
| 163 | E | A | -2.9249 | |
| 164 | D | A | -2.8556 | |
| 165 | P | A | 0.0000 | |
| 166 | T | A | 0.0000 | |
| 167 | P | A | -0.6330 | |
| 168 | T | A | -0.4114 | |
| 169 | S | A | -0.3002 | |
| 170 | F | A | -0.3312 | |
| 171 | F | A | 0.0000 | |
| 172 | G | A | 0.0000 | |
| 173 | G | A | 0.0000 | |
| 174 | D | A | 0.0000 | |
| 175 | L | A | 0.0000 | |
| 176 | Q | A | -1.3431 | |
| 177 | G | A | 0.0000 | |
| 178 | I | A | 0.0000 | |
| 179 | I | A | 0.0000 | |
| 180 | D | A | -2.1050 | |
| 181 | H | A | -1.5517 | |
| 182 | L | A | 0.0000 | |
| 183 | D | A | -2.7527 | |
| 184 | Y | A | -1.5504 | |
| 185 | L | A | 0.0000 | |
| 186 | A | A | -1.8325 | |
| 187 | D | A | -2.1301 | |
| 188 | L | A | 0.0000 | |
| 189 | G | A | -1.0843 | |
| 190 | I | A | 0.0000 | |
| 191 | T | A | -0.5604 | |
| 192 | G | A | 0.0000 | |
| 193 | I | A | 0.0000 | |
| 194 | Y | A | 0.0000 | |
| 195 | L | A | 0.0000 | |
| 196 | T | A | 0.0000 | |
| 197 | P | A | 0.0000 | |
| 198 | I | A | 0.0000 | |
| 199 | F | A | 0.0000 | |
| 200 | R | A | -1.9266 | |
| 201 | A | A | 0.0000 | |
| 202 | P | A | -0.7640 | |
| 203 | S | A | -0.3617 | |
| 204 | N | A | 0.0000 | |
| 205 | H | A | -0.2706 | |
| 206 | K | A | 0.0000 | |
| 207 | Y | A | -0.2187 | |
| 208 | D | A | -0.6956 | |
| 209 | T | A | 0.0000 | |
| 210 | A | A | -1.2056 | |
| 211 | D | A | -1.2927 | |
| 212 | Y | A | 0.0000 | |
| 213 | F | A | -0.3344 | |
| 214 | E | A | -1.5574 | |
| 215 | I | A | 0.0000 | |
| 216 | D | A | 0.0000 | |
| 217 | P | A | -1.1362 | |
| 218 | H | A | -0.7632 | |
| 219 | F | A | 0.0000 | |
| 220 | G | A | -1.8502 | |
| 221 | D | A | -2.8209 | |
| 222 | K | A | -2.9874 | |
| 223 | E | A | -2.9975 | |
| 224 | T | A | -1.9626 | |
| 225 | L | A | 0.0000 | |
| 226 | K | A | -2.7968 | |
| 227 | T | A | -1.9744 | |
| 228 | L | A | 0.0000 | |
| 229 | V | A | 0.0000 | |
| 230 | K | A | -3.3298 | |
| 231 | R | A | -2.7636 | |
| 232 | C | A | 0.0000 | |
| 233 | H | A | -2.9313 | |
| 234 | E | A | -3.5457 | |
| 235 | K | A | -3.2875 | |
| 236 | G | A | -2.0338 | |
| 237 | I | A | 0.0000 | |
| 238 | R | A | -1.3602 | |
| 239 | V | A | 0.0000 | |
| 240 | M | A | 0.0000 | |
| 241 | L | A | 0.0000 | |
| 242 | D | A | 0.0000 | |
| 243 | A | A | 0.0000 | |
| 244 | V | A | 0.0000 | |
| 245 | F | A | 0.0000 | |
| 246 | N | A | 0.0000 | |
| 247 | H | A | 0.0000 | |
| 248 | C | A | 0.0000 | |
| 249 | G | A | 0.0000 | |
| 250 | Y | A | -0.5648 | |
| 251 | E | A | -1.7272 | |
| 252 | F | A | 0.0000 | |
| 253 | A | A | -0.6556 | |
| 254 | P | A | 0.0000 | |
| 255 | F | A | 0.0000 | |
| 256 | Q | A | -1.3401 | |
| 257 | D | A | -1.8804 | |
| 258 | V | A | 0.0000 | |
| 259 | L | A | -0.9747 | |
| 260 | K | A | -2.2276 | |
| 261 | N | A | -2.3696 | |
| 262 | G | A | -1.2512 | |
| 263 | A | A | -0.9117 | |
| 264 | A | A | -1.2034 | |
| 265 | S | A | 0.0000 | |
| 266 | R | A | -2.4882 | |
| 267 | Y | A | -1.9898 | |
| 268 | K | A | -2.0403 | |
| 269 | D | A | -2.3850 | |
| 270 | W | A | 0.0000 | |
| 271 | F | A | 0.0000 | |
| 272 | H | A | -1.7201 | |
| 273 | I | A | -1.8862 | |
| 274 | R | A | -2.6403 | |
| 275 | E | A | -2.4232 | |
| 276 | F | A | -0.5631 | |
| 277 | P | A | -0.2030 | |
| 278 | L | A | -0.7173 | |
| 279 | Q | A | -1.8647 | |
| 280 | T | A | -2.0052 | |
| 281 | E | A | -2.9181 | |
| 282 | P | A | -2.0055 | |
| 283 | R | A | -2.3586 | |
| 284 | P | A | -1.8448 | |
| 285 | N | A | -2.1829 | |
| 286 | Y | A | 0.0000 | |
| 287 | D | A | -0.5848 | |
| 288 | T | A | 0.5210 | |
| 289 | F | A | 1.3445 | |
| 290 | A | A | 1.5359 | |
| 291 | F | A | 1.7041 | |
| 292 | V | A | 1.0456 | |
| 293 | P | A | -0.3268 | |
| 294 | H | A | -0.3844 | |
| 295 | M | A | 0.2630 | |
| 296 | P | A | 0.0000 | |
| 297 | K | A | -0.3272 | |
| 298 | L | A | 0.0000 | |
| 299 | N | A | -1.0250 | |
| 300 | T | A | 0.0000 | |
| 301 | A | A | -1.0790 | |
| 302 | H | A | -1.2455 | |
| 303 | P | A | -1.3890 | |
| 304 | E | A | -2.0122 | |
| 305 | V | A | 0.0000 | |
| 306 | K | A | -1.9278 | |
| 307 | R | A | -2.7754 | |
| 308 | Y | A | -1.5258 | |
| 309 | L | A | 0.0000 | |
| 310 | L | A | -1.6713 | |
| 311 | D | A | -1.9842 | |
| 312 | V | A | 0.0000 | |
| 313 | A | A | 0.0000 | |
| 314 | T | A | -1.3130 | |
| 315 | Y | A | -1.3132 | |
| 316 | W | A | 0.0000 | |
| 317 | I | A | 0.0000 | |
| 318 | R | A | -2.8421 | |
| 319 | E | A | -2.6440 | |
| 320 | F | A | 0.0000 | |
| 321 | D | A | -3.0849 | |
| 322 | I | A | 0.0000 | |
| 323 | D | A | 0.0000 | |
| 324 | G | A | 0.0000 | |
| 325 | W | A | 0.0000 | |
| 326 | R | A | 0.0000 | |
| 327 | L | A | 0.0000 | |
| 328 | D | A | -0.3440 | |
| 329 | V | A | -0.2083 | |
| 330 | A | A | 0.0000 | |
| 331 | N | A | -1.1776 | |
| 332 | E | A | -1.3546 | |
| 333 | I | A | 0.0000 | |
| 334 | D | A | -1.9359 | |
| 335 | H | A | -2.2610 | |
| 336 | Q | A | -2.5167 | |
| 337 | F | A | 0.0000 | |
| 338 | W | A | 0.0000 | |
| 339 | R | A | -3.4170 | |
| 340 | E | A | -2.9968 | |
| 341 | F | A | 0.0000 | |
| 342 | R | A | -1.9236 | |
| 343 | Q | A | -2.2450 | |
| 344 | A | A | -1.4002 | |
| 345 | V | A | 0.0000 | |
| 346 | K | A | -1.1112 | |
| 347 | A | A | -0.5485 | |
| 348 | L | A | -0.5288 | |
| 349 | K | A | -1.1854 | |
| 350 | P | A | -1.1101 | |
| 351 | D | A | -1.5988 | |
| 352 | V | A | 0.0000 | |
| 353 | Y | A | 0.0000 | |
| 354 | I | A | 0.0000 | |
| 355 | L | A | 0.0000 | |
| 356 | G | A | 0.0000 | |
| 357 | E | A | -0.4119 | |
| 358 | I | A | 0.0000 | |
| 359 | W | A | -0.4042 | |
| 360 | H | A | -1.3047 | |
| 361 | D | A | -1.9261 | |
| 362 | A | A | 0.0000 | |
| 363 | M | A | -1.0590 | |
| 364 | P | A | -1.0492 | |
| 365 | W | A | 0.0000 | |
| 366 | L | A | 0.0000 | |
| 367 | R | A | -2.4655 | |
| 368 | G | A | -1.8913 | |
| 369 | D | A | -2.3067 | |
| 370 | Q | A | 0.0000 | |
| 371 | F | A | 0.0000 | |
| 372 | D | A | 0.0000 | |
| 373 | A | A | 0.0000 | |
| 374 | V | A | 0.0000 | |
| 375 | M | A | 0.0000 | |
| 376 | N | A | -0.6456 | |
| 377 | Y | A | 0.0000 | |
| 378 | P | A | -1.1944 | |
| 379 | L | A | 0.0000 | |
| 380 | A | A | 0.0000 | |
| 381 | D | A | -2.2246 | |
| 382 | A | A | 0.0000 | |
| 383 | A | A | 0.0000 | |
| 384 | L | A | -1.7057 | |
| 385 | R | A | -2.8996 | |
| 386 | F | A | 0.0000 | |
| 387 | F | A | 0.0000 | |
| 388 | A | A | -1.8400 | |
| 389 | K | A | -2.9482 | |
| 390 | E | A | -2.6235 | |
| 391 | D | A | -3.1423 | |
| 392 | M | A | -2.0039 | |
| 393 | S | A | -1.4797 | |
| 394 | A | A | 0.0000 | |
| 395 | S | A | -1.6573 | |
| 396 | E | A | -2.5831 | |
| 397 | F | A | 0.0000 | |
| 398 | A | A | 0.0000 | |
| 399 | D | A | -1.9473 | |
| 400 | R | A | -2.7845 | |
| 401 | L | A | 0.0000 | |
| 402 | M | A | -0.9153 | |
| 403 | H | A | -0.9093 | |
| 404 | V | A | -0.5410 | |
| 405 | L | A | -0.2008 | |
| 406 | H | A | 0.0000 | |
| 407 | S | A | -0.2754 | |
| 408 | Y | A | -0.5008 | |
| 409 | P | A | 0.0000 | |
| 410 | K | A | -0.8313 | |
| 411 | Q | A | 0.0000 | |
| 412 | V | A | 0.0000 | |
| 413 | N | A | -0.5423 | |
| 414 | E | A | -1.1462 | |
| 415 | A | A | 0.0000 | |
| 416 | A | A | -0.2815 | |
| 417 | F | A | 0.0000 | |
| 418 | N | A | 0.0000 | |
| 419 | L | A | 0.0000 | |
| 420 | L | A | 0.0000 | |
| 421 | G | A | -0.5426 | |
| 422 | S | A | 0.0000 | |
| 423 | H | A | 0.0000 | |
| 424 | D | A | -2.1192 | |
| 425 | T | A | -1.5913 | |
| 426 | P | A | -1.4727 | |
| 427 | R | A | 0.0000 | |
| 428 | L | A | 0.0000 | |
| 429 | L | A | 0.0000 | |
| 430 | T | A | -0.4239 | |
| 431 | V | A | -0.4810 | |
| 432 | C | A | 0.0000 | |
| 433 | G | A | -0.9970 | |
| 434 | G | A | -0.8449 | |
| 435 | D | A | -0.8540 | |
| 436 | V | A | -0.8257 | |
| 437 | R | A | -1.1879 | |
| 438 | K | A | -0.8232 | |
| 439 | V | A | 0.0000 | |
| 440 | K | A | -0.8941 | |
| 441 | L | A | 0.0000 | |
| 442 | L | A | 0.0000 | |
| 443 | F | A | 0.0000 | |
| 444 | L | A | 0.0000 | |
| 445 | F | A | 0.0000 | |
| 446 | Q | A | 0.0000 | |
| 447 | L | A | 0.0000 | |
| 448 | T | A | 0.0000 | |
| 449 | F | A | 0.0000 | |
| 450 | T | A | -0.8088 | |
| 451 | G | A | 0.0000 | |
| 452 | S | A | 0.0000 | |
| 453 | P | A | 0.0000 | |
| 454 | C | A | 0.0000 | |
| 455 | I | A | 0.0000 | |
| 456 | Y | A | 0.0000 | |
| 457 | Y | A | 0.0000 | |
| 458 | G | A | 0.0000 | |
| 459 | D | A | 0.0000 | |
| 460 | E | A | 0.0000 | |
| 461 | I | A | 0.0000 | |
| 462 | G | A | -0.8554 | |
| 463 | M | A | 0.0000 | |
| 464 | T | A | -0.5905 | |
| 465 | G | A | -1.5004 | |
| 466 | G | A | 0.0000 | |
| 467 | N | A | -2.4864 | |
| 468 | D | A | -2.7897 | |
| 469 | P | A | -1.9896 | |
| 470 | E | A | -2.6255 | |
| 471 | C | A | 0.0000 | |
| 472 | R | A | 0.0000 | |
| 473 | K | A | -1.0970 | |
| 474 | C | A | -0.2966 | |
| 475 | M | A | 0.0000 | |
| 476 | V | A | -0.4064 | |
| 477 | W | A | -0.4461 | |
| 478 | D | A | -1.6538 | |
| 479 | P | A | -1.9946 | |
| 480 | E | A | -3.0641 | |
| 481 | K | A | -2.9170 | |
| 482 | Q | A | 0.0000 | |
| 483 | N | A | -2.4026 | |
| 484 | K | A | -3.0889 | |
| 485 | E | A | -3.0318 | |
| 486 | L | A | 0.0000 | |
| 487 | Y | A | 0.0000 | |
| 488 | E | A | -3.1480 | |
| 489 | H | A | -1.9972 | |
| 490 | V | A | 0.0000 | |
| 491 | K | A | -1.7603 | |
| 492 | Q | A | -1.2467 | |
| 493 | L | A | 0.0000 | |
| 494 | I | A | 0.0000 | |
| 495 | A | A | -0.7969 | |
| 496 | L | A | -0.5675 | |
| 497 | R | A | 0.0000 | |
| 498 | K | A | -1.5225 | |
| 499 | Q | A | -1.5437 | |
| 500 | Y | A | -0.9562 | |
| 501 | R | A | -1.4840 | |
| 502 | A | A | 0.0000 | |
| 503 | L | A | 0.0000 | |
| 504 | R | A | -1.3245 | |
| 505 | R | A | -1.3482 | |
| 506 | G | A | -1.4979 | |
| 507 | D | A | -1.8939 | |
| 508 | V | A | -0.6061 | |
| 509 | A | A | 0.0816 | |
| 510 | F | A | 0.6784 | |
| 511 | L | A | 0.9381 | |
| 512 | T | A | -0.4422 | |
| 513 | A | A | -1.4385 | |
| 514 | D | A | -2.8356 | |
| 515 | D | A | -2.7244 | |
| 516 | E | A | -1.7264 | |
| 517 | V | A | -0.5923 | |
| 518 | N | A | -0.7081 | |
| 519 | H | A | -0.7573 | |
| 520 | L | A | 0.0000 | |
| 521 | V | A | 0.0000 | |
| 522 | Y | A | 0.0000 | |
| 523 | A | A | -0.0839 | |
| 524 | K | A | 0.0000 | |
| 525 | T | A | -1.3679 | |
| 526 | D | A | -1.7840 | |
| 527 | G | A | -1.6893 | |
| 528 | N | A | -1.9665 | |
| 529 | E | A | -1.5054 | |
| 530 | T | A | -1.0307 | |
| 531 | V | A | 0.0000 | |
| 532 | M | A | 0.0000 | |
| 533 | I | A | 0.0000 | |
| 534 | I | A | 0.0000 | |
| 535 | I | A | 0.0000 | |
| 536 | N | A | 0.0000 | |
| 537 | R | A | 0.0000 | |
| 538 | S | A | -1.1485 | |
| 539 | N | A | -2.0598 | |
| 540 | E | A | -2.3663 | |
| 541 | A | A | -1.5950 | |
| 542 | A | A | -1.5875 | |
| 543 | E | A | -1.7312 | |
| 544 | I | A | 0.0000 | |
| 545 | P | A | -0.1427 | |
| 546 | M | A | 0.0000 | |
| 547 | P | A | -0.7302 | |
| 548 | I | A | 0.0000 | |
| 549 | D | A | -2.6256 | |
| 550 | A | A | -2.1131 | |
| 551 | R | A | -2.3228 | |
| 552 | G | A | 0.0000 | |
| 553 | K | A | -1.0039 | |
| 554 | W | A | -0.7800 | |
| 555 | L | A | 0.0000 | |
| 556 | V | A | -1.1926 | |
| 557 | N | A | 0.0000 | |
| 558 | L | A | 0.0000 | |
| 559 | L | A | 0.2722 | |
| 560 | T | A | -0.6671 | |
| 561 | G | A | -1.5824 | |
| 562 | E | A | -2.6683 | |
| 563 | R | A | -2.4208 | |
| 564 | F | A | -1.0484 | |
| 565 | A | A | -0.7252 | |
| 566 | A | A | 0.0000 | |
| 567 | E | A | -2.4717 | |
| 568 | A | A | -1.8934 | |
| 569 | E | A | -2.4216 | |
| 570 | T | A | -1.0935 | |
| 571 | L | A | -0.2460 | |
| 572 | C | A | 0.2006 | |
| 573 | V | A | 0.0000 | |
| 574 | S | A | -0.7522 | |
| 575 | L | A | 0.0000 | |
| 576 | P | A | -1.0769 | |
| 577 | P | A | -1.4795 | |
| 578 | Y | A | -0.9078 | |
| 579 | G | A | 0.0000 | |
| 580 | F | A | 0.3614 | |
| 581 | V | A | 0.4449 | |
| 582 | L | A | 0.0000 | |
| 583 | Y | A | 0.0000 | |
| 584 | A | A | 0.0000 | |
| 585 | V | A | -0.9929 | |
| 586 | E | A | -1.5910 | |
| 587 | S | A | -1.2401 | |
| 588 | W | A | 0.1513 |
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 | -0.5687 | 4.2401 | View | CSV | PDB |
| 4.5 | -0.6491 | 4.2226 | View | CSV | PDB |
| 5.0 | -0.7464 | 4.2055 | View | CSV | PDB |
| 5.5 | -0.8446 | 4.1926 | View | CSV | PDB |
| 6.0 | -0.9287 | 4.1894 | View | CSV | PDB |
| 6.5 | -0.9898 | 4.1979 | View | CSV | PDB |
| 7.0 | -1.0282 | 4.2092 | View | CSV | PDB |
| 7.5 | -1.0505 | 4.2114 | View | CSV | PDB |
| 8.0 | -1.0621 | 4.2037 | View | CSV | PDB |
| 8.5 | -1.0633 | 4.1931 | View | CSV | PDB |
| 9.0 | -1.0524 | 4.1853 | 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