| Chain sequence(s) |
A: MAVVYYLLLAGLIACSHALAAGTPALGDDRGRPWPASLAALALDGKLRTDSNATAAASTDFGNITSALPAAVLYPSSTGDLVALLSAANSTPGWPYTIAFRGRGHSLMGQAFAPGGVVVNMASLGDAAAPPRINVSADGRYVDAGGEQVWIDVLRASLARGVAPRSWNDYLYLTVGGTLSNAGISGQAFRHGPQISNVLEMDVITGHGEMVTCSKQLNADLFDAVLGGLGQFGVITRARIAVEPAPARARWVRFVYTDFAAFSADQERLTAPRPGGGGASFGPMSYVEGSVFVNQSLATDLANTGFFTDADVARIVALAGERNATTVYSIEATLNYDNATAAAAAVDQELASVLGTLSYVEGFAFQRDVAYAAFLDRVHGEEVALNKLGLWRVPHPWLNMFVPRSRIADFDRGVFKGILQGTDIVGPLIVYPLNKSMWDDGMSAATPSEDVFYAVSLLFSSVAPNDLARLQEQNRRILRFCDLAGIQYKTYLARHTDRSDWVRHFGAAKWNRFVEMKNKYDPKRLLSPGQDIFN
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 (00:03:13)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/9c03afe52ef6367/tmp/folded.pdb (00:03:13)
[INFO] Main: Simulation completed successfully. (00:05:30)
|
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 | 1.4855 | |
| 2 | A | A | 1.9783 | |
| 3 | V | A | 3.2049 | |
| 4 | V | A | 3.5798 | |
| 5 | Y | A | 3.5897 | |
| 6 | Y | A | 3.4587 | |
| 7 | L | A | 3.6146 | |
| 8 | L | A | 3.4120 | |
| 9 | L | A | 2.5906 | |
| 10 | A | A | 1.2903 | |
| 11 | G | A | 1.0684 | |
| 12 | L | A | 2.3079 | |
| 13 | I | A | 2.8399 | |
| 14 | A | A | 1.7276 | |
| 15 | C | A | 0.8771 | |
| 16 | S | A | -0.3077 | |
| 17 | H | A | -0.5242 | |
| 18 | A | A | 0.3669 | |
| 19 | L | A | 1.3734 | |
| 20 | A | A | 0.6329 | |
| 21 | A | A | 0.1659 | |
| 22 | G | A | -0.5181 | |
| 23 | T | A | -0.2819 | |
| 24 | P | A | -0.2433 | |
| 25 | A | A | -0.1167 | |
| 26 | L | A | 0.3052 | |
| 27 | G | A | -1.2952 | |
| 28 | D | A | -2.0834 | |
| 29 | D | A | -3.0067 | |
| 30 | R | A | -3.3000 | |
| 31 | G | A | -2.3342 | |
| 32 | R | A | -2.0140 | |
| 33 | P | A | -0.8751 | |
| 34 | W | A | -0.1812 | |
| 35 | P | A | -0.1283 | |
| 36 | A | A | 0.0784 | |
| 37 | S | A | 0.1178 | |
| 38 | L | A | 0.0000 | |
| 39 | A | A | 0.3283 | |
| 40 | A | A | 0.0786 | |
| 41 | L | A | 0.0000 | |
| 42 | A | A | -0.0761 | |
| 43 | L | A | 0.5246 | |
| 44 | D | A | -1.4104 | |
| 45 | G | A | -1.0659 | |
| 46 | K | A | -0.8990 | |
| 47 | L | A | 0.0000 | |
| 48 | R | A | -1.2084 | |
| 49 | T | A | -1.0231 | |
| 50 | D | A | -1.4183 | |
| 51 | S | A | -1.0872 | |
| 52 | N | A | -1.6517 | |
| 53 | A | A | 0.0000 | |
| 54 | T | A | 0.0000 | |
| 55 | A | A | -0.2089 | |
| 56 | A | A | -0.1454 | |
| 57 | A | A | 0.0000 | |
| 58 | S | A | 0.0000 | |
| 59 | T | A | 0.1148 | |
| 60 | D | A | 0.0000 | |
| 61 | F | A | -0.4478 | |
| 62 | G | A | 0.0000 | |
| 63 | N | A | -0.5621 | |
| 64 | I | A | 0.3109 | |
| 65 | T | A | 0.0321 | |
| 66 | S | A | 0.0977 | |
| 67 | A | A | 0.3974 | |
| 68 | L | A | 1.1223 | |
| 69 | P | A | 0.0000 | |
| 70 | A | A | -0.2384 | |
| 71 | A | A | 0.0000 | |
| 72 | V | A | 0.0000 | |
| 73 | L | A | 0.0000 | |
| 74 | Y | A | -0.3011 | |
| 75 | P | A | 0.0000 | |
| 76 | S | A | -0.7031 | |
| 77 | S | A | -0.5075 | |
| 78 | T | A | -0.1553 | |
| 79 | G | A | -0.2866 | |
| 80 | D | A | 0.0000 | |
| 81 | L | A | 0.0000 | |
| 82 | V | A | -0.0244 | |
| 83 | A | A | -0.1110 | |
| 84 | L | A | 0.0000 | |
| 85 | L | A | 0.0000 | |
| 86 | S | A | -0.5952 | |
| 87 | A | A | 0.0000 | |
| 88 | A | A | 0.0000 | |
| 89 | N | A | -1.0955 | |
| 90 | S | A | -0.6160 | |
| 91 | T | A | -0.5157 | |
| 92 | P | A | -0.6453 | |
| 93 | G | A | -0.7985 | |
| 94 | W | A | 0.0000 | |
| 95 | P | A | -0.4894 | |
| 96 | Y | A | -0.1353 | |
| 97 | T | A | -0.5662 | |
| 98 | I | A | 0.0000 | |
| 99 | A | A | 0.0000 | |
| 100 | F | A | -0.1187 | |
| 101 | R | A | -0.6166 | |
| 102 | G | A | -0.7285 | |
| 103 | R | A | -1.0982 | |
| 104 | G | A | 0.0000 | |
| 105 | H | A | -0.4562 | |
| 106 | S | A | -0.3004 | |
| 107 | L | A | 0.0000 | |
| 108 | M | A | 0.1483 | |
| 109 | G | A | 0.0000 | |
| 110 | Q | A | -0.2203 | |
| 111 | A | A | -0.2832 | |
| 112 | F | A | 0.0000 | |
| 113 | A | A | 0.0000 | |
| 114 | P | A | -0.0396 | |
| 115 | G | A | -0.1775 | |
| 116 | G | A | 0.0000 | |
| 117 | V | A | 0.0000 | |
| 118 | V | A | 0.0000 | |
| 119 | V | A | 0.0000 | |
| 120 | N | A | -0.3547 | |
| 121 | M | A | 0.0000 | |
| 122 | A | A | -0.7166 | |
| 123 | S | A | -0.7858 | |
| 124 | L | A | 0.0000 | |
| 125 | G | A | -1.2657 | |
| 126 | D | A | -1.9414 | |
| 127 | A | A | -1.0448 | |
| 128 | A | A | -0.5583 | |
| 129 | A | A | -0.4689 | |
| 130 | P | A | -0.5469 | |
| 131 | P | A | -0.9477 | |
| 132 | R | A | -1.2513 | |
| 133 | I | A | -1.2897 | |
| 134 | N | A | -1.5535 | |
| 135 | V | A | 0.0000 | |
| 136 | S | A | 0.0000 | |
| 137 | A | A | -1.4173 | |
| 138 | D | A | -2.3139 | |
| 139 | G | A | -2.2391 | |
| 140 | R | A | -2.5134 | |
| 141 | Y | A | -1.2314 | |
| 142 | V | A | 0.0000 | |
| 143 | D | A | -0.7113 | |
| 144 | A | A | 0.0000 | |
| 145 | G | A | 0.0000 | |
| 146 | G | A | 0.0000 | |
| 147 | E | A | 0.0000 | |
| 148 | Q | A | -0.6560 | |
| 149 | V | A | 0.0000 | |
| 150 | W | A | 0.0000 | |
| 151 | I | A | 0.0000 | |
| 152 | D | A | -2.1349 | |
| 153 | V | A | 0.0000 | |
| 154 | L | A | 0.0000 | |
| 155 | R | A | -2.4626 | |
| 156 | A | A | -1.7044 | |
| 157 | S | A | 0.0000 | |
| 158 | L | A | -1.0840 | |
| 159 | A | A | -1.0559 | |
| 160 | R | A | -1.9225 | |
| 161 | G | A | -1.3489 | |
| 162 | V | A | 0.0000 | |
| 163 | A | A | 0.0000 | |
| 164 | P | A | 0.0000 | |
| 165 | R | A | -1.0430 | |
| 166 | S | A | 0.0000 | |
| 167 | W | A | 0.0000 | |
| 168 | N | A | 0.0000 | |
| 169 | D | A | -0.5390 | |
| 170 | Y | A | 0.0000 | |
| 171 | L | A | 0.0000 | |
| 172 | Y | A | -0.0042 | |
| 173 | L | A | -0.0497 | |
| 174 | T | A | 0.0000 | |
| 175 | V | A | 0.0000 | |
| 176 | G | A | -0.2493 | |
| 177 | G | A | -0.4981 | |
| 178 | T | A | 0.0000 | |
| 179 | L | A | 0.0000 | |
| 180 | S | A | -0.1499 | |
| 181 | N | A | -0.1392 | |
| 182 | A | A | 0.0000 | |
| 183 | G | A | 0.0000 | |
| 184 | I | A | 0.0616 | |
| 185 | S | A | 0.0000 | |
| 186 | G | A | 0.0000 | |
| 187 | Q | A | 0.0000 | |
| 188 | A | A | 0.0000 | |
| 189 | F | A | 0.0000 | |
| 190 | R | A | -0.5577 | |
| 191 | H | A | -0.5129 | |
| 192 | G | A | 0.0000 | |
| 193 | P | A | 0.0000 | |
| 194 | Q | A | 0.0000 | |
| 195 | I | A | 0.0000 | |
| 196 | S | A | -0.0616 | |
| 197 | N | A | 0.0000 | |
| 198 | V | A | 0.2699 | |
| 199 | L | A | 0.3778 | |
| 200 | E | A | -0.3413 | |
| 201 | M | A | 0.0000 | |
| 202 | D | A | -0.2633 | |
| 203 | V | A | 0.0000 | |
| 204 | I | A | 0.0000 | |
| 205 | T | A | 0.0000 | |
| 206 | G | A | 0.0000 | |
| 207 | H | A | -1.2013 | |
| 208 | G | A | 0.0000 | |
| 209 | E | A | -1.4853 | |
| 210 | M | A | -0.1982 | |
| 211 | V | A | 0.0052 | |
| 212 | T | A | -0.0647 | |
| 213 | C | A | 0.0000 | |
| 214 | S | A | -0.8779 | |
| 215 | K | A | -1.7525 | |
| 216 | Q | A | -1.4317 | |
| 217 | L | A | -0.1954 | |
| 218 | N | A | -0.8554 | |
| 219 | A | A | -1.1654 | |
| 220 | D | A | -1.2220 | |
| 221 | L | A | 0.0000 | |
| 222 | F | A | 0.0000 | |
| 223 | D | A | -1.0334 | |
| 224 | A | A | 0.0000 | |
| 225 | V | A | 0.0000 | |
| 226 | L | A | 0.0000 | |
| 227 | G | A | 0.0000 | |
| 228 | G | A | 0.0000 | |
| 229 | L | A | 0.0109 | |
| 230 | G | A | -0.0764 | |
| 231 | Q | A | 0.0000 | |
| 232 | F | A | 0.0000 | |
| 233 | G | A | 0.0000 | |
| 234 | V | A | 0.0000 | |
| 235 | I | A | 0.0000 | |
| 236 | T | A | 0.0000 | |
| 237 | R | A | -0.5732 | |
| 238 | A | A | 0.0000 | |
| 239 | R | A | -0.5129 | |
| 240 | I | A | 0.0000 | |
| 241 | A | A | -0.5498 | |
| 242 | V | A | 0.0000 | |
| 243 | E | A | -1.3305 | |
| 244 | P | A | -1.3377 | |
| 245 | A | A | -0.9823 | |
| 246 | P | A | -1.1836 | |
| 247 | A | A | -1.2832 | |
| 248 | R | A | -1.4024 | |
| 249 | A | A | 0.0000 | |
| 250 | R | A | -1.1996 | |
| 251 | W | A | 0.0000 | |
| 252 | V | A | 0.0000 | |
| 253 | R | A | 0.0000 | |
| 254 | F | A | 0.0000 | |
| 255 | V | A | 0.0000 | |
| 256 | Y | A | 0.0000 | |
| 257 | T | A | -1.0315 | |
| 258 | D | A | -1.4552 | |
| 259 | F | A | 0.0000 | |
| 260 | A | A | -0.3427 | |
| 261 | A | A | -0.3621 | |
| 262 | F | A | 0.0000 | |
| 263 | S | A | 0.0000 | |
| 264 | A | A | -0.4133 | |
| 265 | D | A | 0.0000 | |
| 266 | Q | A | 0.0000 | |
| 267 | E | A | -1.0349 | |
| 268 | R | A | -1.6756 | |
| 269 | L | A | 0.0000 | |
| 270 | T | A | 0.0000 | |
| 271 | A | A | -1.0652 | |
| 272 | P | A | -1.5084 | |
| 273 | R | A | -2.3945 | |
| 274 | P | A | -1.5309 | |
| 275 | G | A | -1.3271 | |
| 276 | G | A | -1.2992 | |
| 277 | G | A | -1.1328 | |
| 278 | G | A | -1.0732 | |
| 279 | A | A | -0.7307 | |
| 280 | S | A | -0.9480 | |
| 281 | F | A | -0.7219 | |
| 282 | G | A | -0.7410 | |
| 283 | P | A | -0.3683 | |
| 284 | M | A | 0.0000 | |
| 285 | S | A | -0.3128 | |
| 286 | Y | A | 0.0000 | |
| 287 | V | A | 0.0000 | |
| 288 | E | A | 0.0000 | |
| 289 | G | A | 0.0000 | |
| 290 | S | A | 0.0000 | |
| 291 | V | A | 0.0000 | |
| 292 | F | A | 0.0000 | |
| 293 | V | A | 0.0000 | |
| 294 | N | A | -1.9969 | |
| 295 | Q | A | -2.3099 | |
| 296 | S | A | 0.0000 | |
| 297 | L | A | 0.0000 | |
| 298 | A | A | -0.7296 | |
| 299 | T | A | -0.7440 | |
| 300 | D | A | -1.0762 | |
| 301 | L | A | 0.0000 | |
| 302 | A | A | -1.2061 | |
| 303 | N | A | -1.5656 | |
| 304 | T | A | -1.0110 | |
| 305 | G | A | -1.1069 | |
| 306 | F | A | 0.0000 | |
| 307 | F | A | 0.0000 | |
| 308 | T | A | -1.1684 | |
| 309 | D | A | -1.9961 | |
| 310 | A | A | -1.2132 | |
| 311 | D | A | -1.0466 | |
| 312 | V | A | 0.0000 | |
| 313 | A | A | -0.7677 | |
| 314 | R | A | -1.2588 | |
| 315 | I | A | 0.0000 | |
| 316 | V | A | -0.2846 | |
| 317 | A | A | -1.0025 | |
| 318 | L | A | 0.0000 | |
| 319 | A | A | 0.0000 | |
| 320 | G | A | -2.2842 | |
| 321 | E | A | -3.0065 | |
| 322 | R | A | -3.1379 | |
| 323 | N | A | -2.7822 | |
| 324 | A | A | -1.9363 | |
| 325 | T | A | -1.4085 | |
| 326 | T | A | 0.0000 | |
| 327 | V | A | 0.0000 | |
| 328 | Y | A | 0.0000 | |
| 329 | S | A | 0.0000 | |
| 330 | I | A | 0.0000 | |
| 331 | E | A | 0.0000 | |
| 332 | A | A | 0.0000 | |
| 333 | T | A | 0.0000 | |
| 334 | L | A | 0.0000 | |
| 335 | N | A | -0.8897 | |
| 336 | Y | A | -1.3386 | |
| 337 | D | A | -2.5450 | |
| 338 | N | A | -2.1817 | |
| 339 | A | A | -1.0835 | |
| 340 | T | A | -0.5396 | |
| 341 | A | A | -0.2960 | |
| 342 | A | A | -0.9846 | |
| 343 | A | A | -1.1586 | |
| 344 | A | A | -0.8766 | |
| 345 | A | A | -1.0675 | |
| 346 | V | A | 0.0000 | |
| 347 | D | A | -2.3917 | |
| 348 | Q | A | -2.4475 | |
| 349 | E | A | -2.2265 | |
| 350 | L | A | 0.0000 | |
| 351 | A | A | -1.3038 | |
| 352 | S | A | -1.1940 | |
| 353 | V | A | 0.0000 | |
| 354 | L | A | -0.3400 | |
| 355 | G | A | -0.4177 | |
| 356 | T | A | -0.4021 | |
| 357 | L | A | -0.3726 | |
| 358 | S | A | -0.4804 | |
| 359 | Y | A | -0.4619 | |
| 360 | V | A | -0.7930 | |
| 361 | E | A | -1.8017 | |
| 362 | G | A | -1.1914 | |
| 363 | F | A | -0.7143 | |
| 364 | A | A | -0.4439 | |
| 365 | F | A | 0.0000 | |
| 366 | Q | A | -1.4660 | |
| 367 | R | A | -1.5948 | |
| 368 | D | A | -1.4872 | |
| 369 | V | A | -0.4949 | |
| 370 | A | A | -0.4196 | |
| 371 | Y | A | 0.0000 | |
| 372 | A | A | -0.3565 | |
| 373 | A | A | -0.1749 | |
| 374 | F | A | 0.0000 | |
| 375 | L | A | 0.0000 | |
| 376 | D | A | -0.6914 | |
| 377 | R | A | -0.8847 | |
| 378 | V | A | -0.4657 | |
| 379 | H | A | -0.4047 | |
| 380 | G | A | -0.5576 | |
| 381 | E | A | -0.9545 | |
| 382 | E | A | -0.2936 | |
| 383 | V | A | 0.9319 | |
| 384 | A | A | 0.1551 | |
| 385 | L | A | -0.0907 | |
| 386 | N | A | -0.7188 | |
| 387 | K | A | -0.7665 | |
| 388 | L | A | 0.5737 | |
| 389 | G | A | -0.5715 | |
| 390 | L | A | 0.3809 | |
| 391 | W | A | -0.6489 | |
| 392 | R | A | -1.7087 | |
| 393 | V | A | -0.3882 | |
| 394 | P | A | -0.0103 | |
| 395 | H | A | 0.0000 | |
| 396 | P | A | 0.0000 | |
| 397 | W | A | 0.2513 | |
| 398 | L | A | 0.0000 | |
| 399 | N | A | 0.0000 | |
| 400 | M | A | 0.0000 | |
| 401 | F | A | 0.0000 | |
| 402 | V | A | 0.0000 | |
| 403 | P | A | 0.0000 | |
| 404 | R | A | -2.0963 | |
| 405 | S | A | -1.3595 | |
| 406 | R | A | -1.3744 | |
| 407 | I | A | 0.0000 | |
| 408 | A | A | -1.2762 | |
| 409 | D | A | -1.8872 | |
| 410 | F | A | 0.0000 | |
| 411 | D | A | 0.0000 | |
| 412 | R | A | -2.4820 | |
| 413 | G | A | -1.3729 | |
| 414 | V | A | 0.0000 | |
| 415 | F | A | 0.0000 | |
| 416 | K | A | -1.7911 | |
| 417 | G | A | -1.1444 | |
| 418 | I | A | -0.7154 | |
| 419 | L | A | 0.0000 | |
| 420 | Q | A | -1.3966 | |
| 421 | G | A | -1.5750 | |
| 422 | T | A | -1.4906 | |
| 423 | D | A | -2.2542 | |
| 424 | I | A | 0.0000 | |
| 425 | V | A | 0.2711 | |
| 426 | G | A | -0.1838 | |
| 427 | P | A | -0.1322 | |
| 428 | L | A | 0.0000 | |
| 429 | I | A | 0.2012 | |
| 430 | V | A | 0.0000 | |
| 431 | Y | A | 0.0000 | |
| 432 | P | A | 0.0000 | |
| 433 | L | A | 0.0000 | |
| 434 | N | A | 0.0000 | |
| 435 | K | A | -1.3780 | |
| 436 | S | A | -1.1195 | |
| 437 | M | A | -0.7058 | |
| 438 | W | A | 0.0000 | |
| 439 | D | A | -1.6975 | |
| 440 | D | A | -2.1349 | |
| 441 | G | A | -1.4346 | |
| 442 | M | A | 0.0000 | |
| 443 | S | A | 0.0000 | |
| 444 | A | A | -0.5576 | |
| 445 | A | A | 0.0000 | |
| 446 | T | A | -0.7072 | |
| 447 | P | A | 0.0000 | |
| 448 | S | A | -1.3824 | |
| 449 | E | A | -1.9611 | |
| 450 | D | A | -2.3286 | |
| 451 | V | A | -1.4563 | |
| 452 | F | A | 0.0000 | |
| 453 | Y | A | 0.0000 | |
| 454 | A | A | 0.0000 | |
| 455 | V | A | 0.0000 | |
| 456 | S | A | 0.1426 | |
| 457 | L | A | 0.0000 | |
| 458 | L | A | 0.2947 | |
| 459 | F | A | 0.0000 | |
| 460 | S | A | 0.5399 | |
| 461 | S | A | 0.0000 | |
| 462 | V | A | 1.7307 | |
| 463 | A | A | 0.2814 | |
| 464 | P | A | -0.5979 | |
| 465 | N | A | -1.3461 | |
| 466 | D | A | -0.7512 | |
| 467 | L | A | -0.4086 | |
| 468 | A | A | -1.1119 | |
| 469 | R | A | -1.6938 | |
| 470 | L | A | 0.0000 | |
| 471 | Q | A | -1.5640 | |
| 472 | E | A | -2.2856 | |
| 473 | Q | A | 0.0000 | |
| 474 | N | A | -1.8689 | |
| 475 | R | A | -2.9235 | |
| 476 | R | A | -3.1366 | |
| 477 | I | A | 0.0000 | |
| 478 | L | A | -1.4436 | |
| 479 | R | A | -2.0862 | |
| 480 | F | A | -0.8687 | |
| 481 | C | A | 0.0000 | |
| 482 | D | A | -1.4800 | |
| 483 | L | A | 0.5690 | |
| 484 | A | A | -0.2526 | |
| 485 | G | A | -0.7530 | |
| 486 | I | A | 0.0000 | |
| 487 | Q | A | -1.8816 | |
| 488 | Y | A | -0.8008 | |
| 489 | K | A | -0.6936 | |
| 490 | T | A | 0.0000 | |
| 491 | Y | A | 0.2206 | |
| 492 | L | A | 0.4628 | |
| 493 | A | A | 0.0667 | |
| 494 | R | A | -0.6509 | |
| 495 | H | A | -1.2944 | |
| 496 | T | A | -1.6561 | |
| 497 | D | A | -2.4899 | |
| 498 | R | A | -2.9042 | |
| 499 | S | A | -2.0457 | |
| 500 | D | A | -2.1567 | |
| 501 | W | A | 0.0000 | |
| 502 | V | A | -1.5613 | |
| 503 | R | A | -2.3580 | |
| 504 | H | A | -1.4656 | |
| 505 | F | A | 0.0000 | |
| 506 | G | A | -0.9500 | |
| 507 | A | A | -0.7291 | |
| 508 | A | A | -0.5846 | |
| 509 | K | A | -1.3615 | |
| 510 | W | A | -1.1623 | |
| 511 | N | A | -1.9175 | |
| 512 | R | A | -2.1072 | |
| 513 | F | A | 0.0000 | |
| 514 | V | A | -1.5045 | |
| 515 | E | A | -2.9017 | |
| 516 | M | A | -1.9856 | |
| 517 | K | A | 0.0000 | |
| 518 | N | A | -2.5457 | |
| 519 | K | A | -2.5559 | |
| 520 | Y | A | 0.0000 | |
| 521 | D | A | 0.0000 | |
| 522 | P | A | -1.8479 | |
| 523 | K | A | -1.7852 | |
| 524 | R | A | -1.8088 | |
| 525 | L | A | 0.0000 | |
| 526 | L | A | 0.0000 | |
| 527 | S | A | 0.0000 | |
| 528 | P | A | 0.0000 | |
| 529 | G | A | -0.5750 | |
| 530 | Q | A | 0.0000 | |
| 531 | D | A | -1.5972 | |
| 532 | I | A | 0.0000 | |
| 533 | F | A | -1.1481 | |
| 534 | N | A | -1.5429 |
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 | -0.239 | 4.5116 | View | CSV | PDB |
| 4.5 | -0.2817 | 4.5116 | View | CSV | PDB |
| 5.0 | -0.3315 | 4.5116 | View | CSV | PDB |
| 5.5 | -0.3834 | 4.5116 | View | CSV | PDB |
| 6.0 | -0.4326 | 4.5116 | View | CSV | PDB |
| 6.5 | -0.4755 | 4.5116 | View | CSV | PDB |
| 7.0 | -0.5111 | 4.5116 | View | CSV | PDB |
| 7.5 | -0.5404 | 4.5116 | View | CSV | PDB |
| 8.0 | -0.5643 | 4.5116 | View | CSV | PDB |
| 8.5 | -0.5815 | 4.5116 | View | CSV | PDB |
| 9.0 | -0.5899 | 4.5116 | 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