| Chain sequence(s) | MADPAAGPPPSEGEESTVRFARKGALRQKNVHEVKNHKFTARFFKQPTFCSHCTDFIWGFGKQGFQCQVCCFVVHKRCHEFVTFSCPGADKGPASDDPRSKHKFKIHTYSSPTFCDHCGSLLYGLIHQGMKCDTCMMNVHKRCVMNVPSLCGTDHTERRGRIYIQAHIDREVLIVVVRDAKNLVPMDPNGLSDPYVKLKLIPDPKSESKQKTKTIKCSLNPEWNETFRFQLKESDKDRRLSVEIWDWDLTSRNDFMGSLSFGISELQKAGVDGWFKLLSQEEGEYFNVPVPPEGSEGNEELRQKFERAKIGQGTKAPEEKTANTISKFDNNGNRDRMKLTDFNFLMVLGKGSFGKVMLSERKGTDELYAVKILKKDVVIQDDDVECTMVEKRVLALPGKPPFLTQLHSCFQTMDRLYFVMEYVNGGDLMYHIQQVGRFKEPHAVFYAAEIAIGLFFLQSKGIIYRDLKLDNVMLDSEGHIKIADFGMCKENIWDGVTTKTFCGTPDYIAPEIIAYQPYGKSVDWWAFGVLLYEMLAGQAPFEGEDEDELFQSIMEHNVAYPKSMSKEAVAICKGLMTKHPGKRLGCGPEGERDIKEHAFFRYIDWEKLERKEIQPPYKPKARDKRDTSNFDKEFTRQPVELTPTDKLFIMNLDQNEFAGFSYTNPEFVINV input PDB |
| Selected Chain(s) | A |
| Distance of aggregation | 10 Å |
| FoldX usage | Yes |
| pH calculations | Yes |
| Dynamic mode | No |
| Automated mutations | No |
| Downloads | Download all the data |
| Simulation log |
[INFO] Logger: Verbosity set to: 2 - [INFO] (00:00:02)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:02)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with A chain(s) selected (00:00:02)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:02)
[INFO] PDB-Info: The input structure is globular. Max score is recommended for pH analysis. (00:00:07)
[INFO] FoldX: Starting FoldX energy minimization (00:00:07)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:27:52)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/c810d5a03e3fe0/tmp/folded.pdb (00:27:52)
[INFO] Main: Simulation completed successfully. (00:34:52)
|
The table below lists A3D score for protein residues. Residues with A3D score > 0.0000 are marked by yellow rows.
| residue index | residue name | chain | Aggrescan3D score | mutation |
|---|---|---|---|---|
| residue index | residue name | chain | Aggrescan3D score | |
| 1 | M | A | 0.6274 | |
| 2 | A | A | -0.3500 | |
| 3 | D | A | -1.6305 | |
| 4 | P | A | -1.0283 | |
| 5 | A | A | -0.4991 | |
| 6 | A | A | -0.2541 | |
| 7 | G | A | -0.6373 | |
| 8 | P | A | -0.6625 | |
| 9 | P | A | -0.8371 | |
| 10 | P | A | -1.0471 | |
| 11 | S | A | -1.6337 | |
| 12 | E | A | -2.8444 | |
| 13 | G | A | -2.8647 | |
| 14 | E | A | -3.4481 | |
| 15 | E | A | -2.9179 | |
| 16 | S | A | -1.5533 | |
| 17 | T | A | -0.3343 | |
| 18 | V | A | 1.1166 | |
| 19 | R | A | -0.3236 | |
| 20 | F | A | 0.8006 | |
| 21 | A | A | -0.8071 | |
| 22 | R | A | -2.4434 | |
| 23 | K | A | -2.3530 | |
| 24 | G | A | -1.5605 | |
| 25 | A | A | -0.9829 | |
| 26 | L | A | -0.2001 | |
| 27 | R | A | -2.2922 | |
| 28 | Q | A | -2.5815 | |
| 29 | K | A | -2.9034 | |
| 30 | N | A | -2.5906 | |
| 31 | V | A | -1.5572 | |
| 32 | H | A | -2.2110 | |
| 33 | E | A | -3.0103 | |
| 34 | V | A | -2.1804 | |
| 35 | K | A | -2.4589 | |
| 36 | N | A | -2.5703 | |
| 37 | H | A | 0.0000 | |
| 38 | K | A | -2.1040 | |
| 39 | F | A | 0.0000 | |
| 40 | T | A | 0.0000 | |
| 41 | A | A | -1.3867 | |
| 42 | R | A | -1.3439 | |
| 43 | F | A | 0.1804 | |
| 44 | F | A | 0.0000 | |
| 45 | K | A | -1.9053 | |
| 46 | Q | A | -1.1881 | |
| 47 | P | A | -0.3612 | |
| 48 | T | A | 0.0000 | |
| 49 | F | A | 0.5672 | |
| 50 | C | A | 0.0000 | |
| 51 | S | A | 0.0000 | |
| 52 | H | A | 0.0000 | |
| 53 | C | A | -1.0633 | |
| 54 | T | A | -0.8353 | |
| 55 | D | A | -0.7773 | |
| 56 | F | A | 0.7094 | |
| 57 | I | A | 0.0000 | |
| 58 | W | A | 0.8998 | |
| 59 | G | A | 0.8443 | |
| 60 | F | A | 1.5843 | |
| 61 | G | A | -0.0549 | |
| 62 | K | A | -1.0177 | |
| 63 | Q | A | -0.4588 | |
| 64 | G | A | 0.0000 | |
| 65 | F | A | -0.9237 | |
| 66 | Q | A | -0.5616 | |
| 67 | C | A | 0.0000 | |
| 68 | Q | A | -1.0451 | |
| 69 | V | A | -0.4883 | |
| 70 | C | A | 0.0000 | |
| 71 | C | A | -0.0749 | |
| 72 | F | A | 0.0000 | |
| 73 | V | A | 0.0000 | |
| 74 | V | A | 0.0000 | |
| 75 | H | A | -0.9946 | |
| 76 | K | A | -2.1682 | |
| 77 | R | A | -2.0776 | |
| 78 | C | A | 0.0000 | |
| 79 | H | A | -1.8794 | |
| 80 | E | A | -2.5391 | |
| 81 | F | A | -1.2377 | |
| 82 | V | A | 0.0000 | |
| 83 | T | A | -1.2050 | |
| 84 | F | A | 0.0000 | |
| 85 | S | A | -1.3872 | |
| 86 | C | A | 0.0000 | |
| 87 | P | A | -1.1840 | |
| 88 | G | A | -1.1682 | |
| 89 | A | A | -1.7142 | |
| 90 | D | A | -2.4647 | |
| 91 | K | A | -2.7673 | |
| 92 | G | A | -1.8257 | |
| 93 | P | A | -1.5370 | |
| 94 | A | A | -1.5758 | |
| 95 | S | A | -2.0359 | |
| 96 | D | A | -3.0477 | |
| 97 | D | A | -2.3898 | |
| 98 | P | A | -2.4194 | |
| 99 | R | A | -3.0442 | |
| 100 | S | A | -2.3652 | |
| 101 | K | A | -3.1254 | |
| 102 | H | A | 0.0000 | |
| 103 | K | A | -3.1780 | |
| 104 | F | A | 0.0000 | |
| 105 | K | A | -2.2503 | |
| 106 | I | A | 0.0948 | |
| 107 | H | A | -0.0964 | |
| 108 | T | A | 0.5592 | |
| 109 | Y | A | 0.3946 | |
| 110 | S | A | 0.1458 | |
| 111 | S | A | -0.2001 | |
| 112 | P | A | 0.0643 | |
| 113 | T | A | 0.0959 | |
| 114 | F | A | 0.3565 | |
| 115 | C | A | 0.0000 | |
| 116 | D | A | -0.6227 | |
| 117 | H | A | 0.0000 | |
| 118 | C | A | 0.0000 | |
| 119 | G | A | 0.0000 | |
| 120 | S | A | 0.1808 | |
| 121 | L | A | 0.4609 | |
| 122 | L | A | 0.0000 | |
| 123 | Y | A | 1.6474 | |
| 124 | G | A | 1.3853 | |
| 125 | L | A | 2.3497 | |
| 126 | I | A | 2.5555 | |
| 127 | H | A | 0.5808 | |
| 128 | Q | A | 0.0000 | |
| 129 | G | A | 0.0000 | |
| 130 | M | A | -1.3649 | |
| 131 | K | A | -1.5304 | |
| 132 | C | A | 0.0000 | |
| 133 | D | A | -2.6530 | |
| 134 | T | A | -1.9374 | |
| 135 | C | A | -1.0799 | |
| 136 | M | A | -0.9530 | |
| 137 | M | A | -0.6525 | |
| 138 | N | A | -0.7580 | |
| 139 | V | A | 0.0000 | |
| 140 | H | A | -1.1571 | |
| 141 | K | A | -2.3873 | |
| 142 | R | A | -2.3638 | |
| 143 | C | A | 0.0000 | |
| 144 | V | A | -0.4960 | |
| 145 | M | A | 0.3468 | |
| 146 | N | A | 0.0287 | |
| 147 | V | A | 0.0000 | |
| 148 | P | A | 0.0000 | |
| 149 | S | A | -1.2361 | |
| 150 | L | A | -0.5865 | |
| 151 | C | A | -1.4920 | |
| 152 | G | A | -1.3465 | |
| 153 | T | A | -0.8329 | |
| 154 | D | A | -0.9158 | |
| 155 | H | A | -0.6472 | |
| 156 | T | A | -0.8757 | |
| 157 | E | A | 0.0000 | |
| 158 | R | A | -2.2803 | |
| 159 | R | A | -1.5752 | |
| 160 | G | A | 0.0000 | |
| 161 | R | A | 0.0000 | |
| 162 | I | A | 0.0000 | |
| 163 | Y | A | -0.7677 | |
| 164 | I | A | 0.0000 | |
| 165 | Q | A | -1.3080 | |
| 166 | A | A | 0.0000 | |
| 167 | H | A | -1.7709 | |
| 168 | I | A | -2.4344 | |
| 169 | D | A | -3.0774 | |
| 170 | R | A | -3.4946 | |
| 171 | E | A | -3.4910 | |
| 172 | V | A | -2.3936 | |
| 173 | L | A | 0.0000 | |
| 174 | I | A | -1.1563 | |
| 175 | V | A | 0.0000 | |
| 176 | V | A | -0.8986 | |
| 177 | V | A | 0.0000 | |
| 178 | R | A | -1.7726 | |
| 179 | D | A | 0.0000 | |
| 180 | A | A | 0.0000 | |
| 181 | K | A | -1.3188 | |
| 182 | N | A | 0.0000 | |
| 183 | L | A | 0.0000 | |
| 184 | V | A | -0.4743 | |
| 185 | P | A | -0.0724 | |
| 186 | M | A | -0.3807 | |
| 187 | D | A | -0.9890 | |
| 188 | P | A | -1.0397 | |
| 189 | N | A | -1.3286 | |
| 190 | G | A | 0.0000 | |
| 191 | L | A | -0.3161 | |
| 192 | S | A | 0.0000 | |
| 193 | D | A | -0.6752 | |
| 194 | P | A | 0.0000 | |
| 195 | Y | A | -0.9812 | |
| 196 | V | A | 0.0000 | |
| 197 | K | A | -1.5810 | |
| 198 | L | A | 0.0000 | |
| 199 | K | A | -1.6338 | |
| 200 | L | A | 0.0000 | |
| 201 | I | A | -0.8073 | |
| 202 | P | A | -0.9938 | |
| 203 | D | A | -1.7885 | |
| 204 | P | A | -1.5949 | |
| 205 | K | A | -2.8024 | |
| 206 | S | A | -2.5821 | |
| 207 | E | A | -3.1156 | |
| 208 | S | A | -2.3505 | |
| 209 | K | A | -3.0218 | |
| 210 | Q | A | -2.5437 | |
| 211 | K | A | -2.6946 | |
| 212 | T | A | 0.0000 | |
| 213 | K | A | -2.2405 | |
| 214 | T | A | -1.2368 | |
| 215 | I | A | -1.1241 | |
| 216 | K | A | -1.3434 | |
| 217 | C | A | -0.4905 | |
| 218 | S | A | -0.6771 | |
| 219 | L | A | 0.0000 | |
| 220 | N | A | -1.5228 | |
| 221 | P | A | 0.0000 | |
| 222 | E | A | -2.7479 | |
| 223 | W | A | 0.0000 | |
| 224 | N | A | -2.1584 | |
| 225 | E | A | -1.7112 | |
| 226 | T | A | -0.8943 | |
| 227 | F | A | 0.0000 | |
| 228 | R | A | -1.9260 | |
| 229 | F | A | 0.0000 | |
| 230 | Q | A | -2.3794 | |
| 231 | L | A | 0.0000 | |
| 232 | K | A | -3.4549 | |
| 233 | E | A | -3.5875 | |
| 234 | S | A | -2.5722 | |
| 235 | D | A | 0.0000 | |
| 236 | K | A | -3.6179 | |
| 237 | D | A | -3.0696 | |
| 238 | R | A | -1.6900 | |
| 239 | R | A | -1.1091 | |
| 240 | L | A | 0.0000 | |
| 241 | S | A | 0.0000 | |
| 242 | V | A | 0.0000 | |
| 243 | E | A | 0.0000 | |
| 244 | I | A | 0.0000 | |
| 245 | W | A | 0.0000 | |
| 246 | D | A | 0.0000 | |
| 247 | W | A | -0.3006 | |
| 248 | D | A | -0.4457 | |
| 249 | L | A | 0.9895 | |
| 250 | T | A | 0.0935 | |
| 251 | S | A | -1.0405 | |
| 252 | R | A | -2.1674 | |
| 253 | N | A | -1.4969 | |
| 254 | D | A | -1.8216 | |
| 255 | F | A | -0.7205 | |
| 256 | M | A | 0.0000 | |
| 257 | G | A | 0.0000 | |
| 258 | S | A | 0.0000 | |
| 259 | L | A | 0.0000 | |
| 260 | S | A | 0.0000 | |
| 261 | F | A | 0.0000 | |
| 262 | G | A | 0.0000 | |
| 263 | I | A | 0.0000 | |
| 264 | S | A | -2.0532 | |
| 265 | E | A | -1.9942 | |
| 266 | L | A | 0.0000 | |
| 267 | Q | A | -3.1713 | |
| 268 | K | A | -2.6064 | |
| 269 | A | A | -1.6835 | |
| 270 | G | A | -1.7759 | |
| 271 | V | A | -1.0502 | |
| 272 | D | A | -1.9713 | |
| 273 | G | A | -1.0248 | |
| 274 | W | A | -0.4266 | |
| 275 | F | A | 0.0000 | |
| 276 | K | A | 0.0000 | |
| 277 | L | A | 0.0000 | |
| 278 | L | A | 0.0000 | |
| 279 | S | A | -1.5739 | |
| 280 | Q | A | -2.1202 | |
| 281 | E | A | -2.9591 | |
| 282 | E | A | -1.9066 | |
| 283 | G | A | 0.0000 | |
| 284 | E | A | -1.7461 | |
| 285 | Y | A | -0.8035 | |
| 286 | F | A | -0.3001 | |
| 287 | N | A | -0.2433 | |
| 288 | V | A | -0.0245 | |
| 289 | P | A | -0.3046 | |
| 290 | V | A | -0.3202 | |
| 291 | P | A | -1.1765 | |
| 292 | P | A | -1.7079 | |
| 293 | E | A | -2.5895 | |
| 294 | G | A | -2.4316 | |
| 295 | S | A | -3.0090 | |
| 296 | E | A | -3.9373 | |
| 297 | G | A | -3.1845 | |
| 298 | N | A | -3.8571 | |
| 299 | E | A | -5.1321 | |
| 300 | E | A | -4.6487 | |
| 301 | L | A | -3.6149 | |
| 302 | R | A | -5.2944 | |
| 303 | Q | A | -5.1760 | |
| 304 | K | A | -4.6620 | |
| 305 | F | A | -3.4443 | |
| 306 | E | A | -4.2096 | |
| 307 | R | A | -3.5763 | |
| 308 | A | A | -2.6390 | |
| 309 | K | A | -2.6394 | |
| 310 | I | A | -0.3110 | |
| 311 | G | A | -1.2625 | |
| 312 | Q | A | -1.6864 | |
| 313 | G | A | -1.4715 | |
| 314 | T | A | -1.4930 | |
| 315 | K | A | -2.2869 | |
| 316 | A | A | -1.6496 | |
| 317 | P | A | -2.2883 | |
| 318 | E | A | -3.5198 | |
| 319 | E | A | -3.6053 | |
| 320 | K | A | -3.2993 | |
| 321 | T | A | -2.0141 | |
| 322 | A | A | -1.1018 | |
| 323 | N | A | -0.9980 | |
| 324 | T | A | 0.0327 | |
| 325 | I | A | 1.3277 | |
| 326 | S | A | 0.0788 | |
| 327 | K | A | -1.7252 | |
| 328 | F | A | -1.3750 | |
| 329 | D | A | -3.3150 | |
| 330 | N | A | -2.7606 | |
| 331 | N | A | -3.0626 | |
| 332 | G | A | -2.8341 | |
| 333 | N | A | -3.9042 | |
| 334 | R | A | -4.2423 | |
| 335 | D | A | -4.5978 | |
| 336 | R | A | -3.9068 | |
| 337 | M | A | 0.0000 | |
| 338 | K | A | -2.4430 | |
| 339 | L | A | -0.8041 | |
| 340 | T | A | -1.1314 | |
| 341 | D | A | -2.1101 | |
| 342 | F | A | 0.0000 | |
| 343 | N | A | -1.2448 | |
| 344 | F | A | -0.1823 | |
| 345 | L | A | 0.2152 | |
| 346 | M | A | -0.1300 | |
| 347 | V | A | 0.0000 | |
| 348 | L | A | 0.0000 | |
| 349 | G | A | -1.2964 | |
| 350 | K | A | -1.3615 | |
| 351 | G | A | -1.0816 | |
| 352 | S | A | -0.7019 | |
| 353 | F | A | -0.2857 | |
| 354 | G | A | -0.4446 | |
| 355 | K | A | -0.7313 | |
| 356 | V | A | -0.1900 | |
| 357 | M | A | 0.0000 | |
| 358 | L | A | 0.0000 | |
| 359 | S | A | 0.0000 | |
| 360 | E | A | -2.0491 | |
| 361 | R | A | -2.3739 | |
| 362 | K | A | -2.9679 | |
| 363 | G | A | -2.0679 | |
| 364 | T | A | -1.9625 | |
| 365 | D | A | -2.6962 | |
| 366 | E | A | -1.5834 | |
| 367 | L | A | -1.2130 | |
| 368 | Y | A | 0.0000 | |
| 369 | A | A | 0.0000 | |
| 370 | V | A | 0.0000 | |
| 371 | K | A | -0.4437 | |
| 372 | I | A | 0.0000 | |
| 373 | L | A | 0.0000 | |
| 374 | K | A | -0.1353 | |
| 375 | K | A | 0.0000 | |
| 376 | D | A | 0.0000 | |
| 377 | V | A | -0.8458 | |
| 378 | V | A | 0.0000 | |
| 379 | I | A | -1.8033 | |
| 380 | Q | A | -2.2482 | |
| 381 | D | A | -2.9756 | |
| 382 | D | A | -3.1418 | |
| 383 | D | A | -2.0854 | |
| 384 | V | A | -1.8397 | |
| 385 | E | A | -2.1437 | |
| 386 | C | A | -1.0631 | |
| 387 | T | A | 0.0000 | |
| 388 | M | A | -1.0282 | |
| 389 | V | A | 0.0000 | |
| 390 | E | A | 0.0000 | |
| 391 | K | A | -0.7328 | |
| 392 | R | A | -0.8631 | |
| 393 | V | A | 0.0000 | |
| 394 | L | A | 0.0000 | |
| 395 | A | A | -0.6461 | |
| 396 | L | A | -0.4590 | |
| 397 | P | A | -0.8021 | |
| 398 | G | A | -0.8516 | |
| 399 | K | A | -0.4427 | |
| 400 | P | A | 0.0000 | |
| 401 | P | A | -0.9323 | |
| 402 | F | A | 0.0000 | |
| 403 | L | A | 0.0000 | |
| 404 | T | A | 0.0000 | |
| 405 | Q | A | -0.2443 | |
| 406 | L | A | 0.0000 | |
| 407 | H | A | -0.1064 | |
| 408 | S | A | 0.0000 | |
| 409 | C | A | 0.0000 | |
| 410 | F | A | 0.0000 | |
| 411 | Q | A | -0.4240 | |
| 412 | T | A | -0.1597 | |
| 413 | M | A | 0.3402 | |
| 414 | D | A | -0.3293 | |
| 415 | R | A | 0.0000 | |
| 416 | L | A | 0.0000 | |
| 417 | Y | A | 0.0000 | |
| 418 | F | A | 0.0000 | |
| 419 | V | A | 0.0000 | |
| 420 | M | A | -0.0635 | |
| 421 | E | A | -0.0802 | |
| 422 | Y | A | -0.3362 | |
| 423 | V | A | 0.0000 | |
| 424 | N | A | 0.0000 | |
| 425 | G | A | 0.0000 | |
| 426 | G | A | 0.0000 | |
| 427 | D | A | -0.6109 | |
| 428 | L | A | 0.0000 | |
| 429 | M | A | -0.7824 | |
| 430 | Y | A | -0.5268 | |
| 431 | H | A | 0.0000 | |
| 432 | I | A | 0.0000 | |
| 433 | Q | A | -1.4154 | |
| 434 | Q | A | -0.9745 | |
| 435 | V | A | 0.2893 | |
| 436 | G | A | -0.9298 | |
| 437 | R | A | -1.4793 | |
| 438 | F | A | -1.1804 | |
| 439 | K | A | -2.1856 | |
| 440 | E | A | -1.6573 | |
| 441 | P | A | 0.0000 | |
| 442 | H | A | -0.7560 | |
| 443 | A | A | 0.0000 | |
| 444 | V | A | 0.0000 | |
| 445 | F | A | 0.0000 | |
| 446 | Y | A | 0.0000 | |
| 447 | A | A | 0.0000 | |
| 448 | A | A | 0.0000 | |
| 449 | E | A | 0.0000 | |
| 450 | I | A | 0.0000 | |
| 451 | A | A | 0.0000 | |
| 452 | I | A | 0.0000 | |
| 453 | G | A | 0.0000 | |
| 454 | L | A | 0.0000 | |
| 455 | F | A | -0.2650 | |
| 456 | F | A | -0.0946 | |
| 457 | L | A | 0.0000 | |
| 458 | Q | A | -0.8903 | |
| 459 | S | A | -0.4815 | |
| 460 | K | A | -1.1420 | |
| 461 | G | A | 0.0000 | |
| 462 | I | A | 0.0000 | |
| 463 | I | A | 0.0000 | |
| 464 | Y | A | 0.0000 | |
| 465 | R | A | -0.2433 | |
| 466 | D | A | 0.0000 | |
| 467 | L | A | 0.0000 | |
| 468 | K | A | -0.9297 | |
| 469 | L | A | 0.0000 | |
| 470 | D | A | -1.8486 | |
| 471 | N | A | 0.0000 | |
| 472 | V | A | 0.0000 | |
| 473 | M | A | -0.2808 | |
| 474 | L | A | 0.0000 | |
| 475 | D | A | -0.9452 | |
| 476 | S | A | -1.8855 | |
| 477 | E | A | -2.4938 | |
| 478 | G | A | 0.0000 | |
| 479 | H | A | 0.0000 | |
| 480 | I | A | 0.0000 | |
| 481 | K | A | 0.0000 | |
| 482 | I | A | 0.0000 | |
| 483 | A | A | -0.8896 | |
| 484 | D | A | -1.4838 | |
| 485 | F | A | 0.0000 | |
| 486 | G | A | -0.6299 | |
| 487 | M | A | -0.3132 | |
| 488 | C | A | 0.0000 | |
| 489 | K | A | -1.1235 | |
| 490 | E | A | -1.4533 | |
| 491 | N | A | -1.5814 | |
| 492 | I | A | 0.0000 | |
| 493 | W | A | -0.6192 | |
| 494 | D | A | -1.6240 | |
| 495 | G | A | -0.7167 | |
| 496 | V | A | 0.0202 | |
| 497 | T | A | -0.7191 | |
| 498 | T | A | -0.9696 | |
| 499 | K | A | -1.5671 | |
| 500 | T | A | -0.5051 | |
| 501 | F | A | 0.5634 | |
| 502 | C | A | 0.2374 | |
| 503 | G | A | -0.0495 | |
| 504 | T | A | -0.3397 | |
| 505 | P | A | -0.8978 | |
| 506 | D | A | -1.3147 | |
| 507 | Y | A | -0.3552 | |
| 508 | I | A | 0.0000 | |
| 509 | A | A | 0.0000 | |
| 510 | P | A | 0.0000 | |
| 511 | E | A | 0.0000 | |
| 512 | I | A | 0.0000 | |
| 513 | I | A | 0.4226 | |
| 514 | A | A | 0.3775 | |
| 515 | Y | A | 0.5534 | |
| 516 | Q | A | -0.8834 | |
| 517 | P | A | -1.0309 | |
| 518 | Y | A | 0.0000 | |
| 519 | G | A | -0.7086 | |
| 520 | K | A | -0.5924 | |
| 521 | S | A | -0.6228 | |
| 522 | V | A | 0.0000 | |
| 523 | D | A | 0.0000 | |
| 524 | W | A | 0.0000 | |
| 525 | W | A | 0.0000 | |
| 526 | A | A | 0.0000 | |
| 527 | F | A | 0.0000 | |
| 528 | G | A | 0.0000 | |
| 529 | V | A | 0.0000 | |
| 530 | L | A | 0.0000 | |
| 531 | L | A | 0.0000 | |
| 532 | Y | A | 0.0000 | |
| 533 | E | A | -0.8303 | |
| 534 | M | A | 0.0000 | |
| 535 | L | A | 0.0000 | |
| 536 | A | A | -1.1953 | |
| 537 | G | A | -1.1565 | |
| 538 | Q | A | -1.8740 | |
| 539 | A | A | -1.2024 | |
| 540 | P | A | 0.0000 | |
| 541 | F | A | 0.0000 | |
| 542 | E | A | -3.6175 | |
| 543 | G | A | -4.2986 | |
| 544 | E | A | -4.2970 | |
| 545 | D | A | -4.9794 | |
| 546 | E | A | -4.9784 | |
| 547 | D | A | -4.6069 | |
| 548 | E | A | -4.9931 | |
| 549 | L | A | 0.0000 | |
| 550 | F | A | -2.9075 | |
| 551 | Q | A | -3.2152 | |
| 552 | S | A | 0.0000 | |
| 553 | I | A | 0.0000 | |
| 554 | M | A | -1.5878 | |
| 555 | E | A | -2.8010 | |
| 556 | H | A | -2.7793 | |
| 557 | N | A | -2.3270 | |
| 558 | V | A | 0.0000 | |
| 559 | A | A | -0.4464 | |
| 560 | Y | A | -0.4861 | |
| 561 | P | A | -0.8032 | |
| 562 | K | A | -1.9583 | |
| 563 | S | A | -1.4169 | |
| 564 | M | A | 0.0000 | |
| 565 | S | A | -1.3608 | |
| 566 | K | A | -2.0713 | |
| 567 | E | A | -1.4064 | |
| 568 | A | A | 0.0000 | |
| 569 | V | A | -1.1577 | |
| 570 | A | A | -1.3091 | |
| 571 | I | A | 0.0000 | |
| 572 | C | A | 0.0000 | |
| 573 | K | A | -1.8804 | |
| 574 | G | A | -1.3627 | |
| 575 | L | A | 0.0000 | |
| 576 | M | A | 0.0000 | |
| 577 | T | A | -1.6811 | |
| 578 | K | A | -1.9593 | |
| 579 | H | A | -1.9799 | |
| 580 | P | A | -1.5123 | |
| 581 | G | A | -1.6871 | |
| 582 | K | A | -2.3542 | |
| 583 | R | A | 0.0000 | |
| 584 | L | A | -1.1984 | |
| 585 | G | A | -1.5140 | |
| 586 | C | A | -1.1440 | |
| 587 | G | A | -1.6910 | |
| 588 | P | A | -1.6311 | |
| 589 | E | A | -2.4373 | |
| 590 | G | A | 0.0000 | |
| 591 | E | A | -3.0197 | |
| 592 | R | A | -3.3647 | |
| 593 | D | A | -3.2415 | |
| 594 | I | A | 0.0000 | |
| 595 | K | A | -2.8246 | |
| 596 | E | A | -3.1773 | |
| 597 | H | A | 0.0000 | |
| 598 | A | A | -1.3331 | |
| 599 | F | A | 0.0000 | |
| 600 | F | A | 0.0000 | |
| 601 | R | A | -1.3665 | |
| 602 | Y | A | -0.4009 | |
| 603 | I | A | -0.8225 | |
| 604 | D | A | -1.7917 | |
| 605 | W | A | -2.2124 | |
| 606 | E | A | -3.5533 | |
| 607 | K | A | -3.4519 | |
| 608 | L | A | 0.0000 | |
| 609 | E | A | -3.6713 | |
| 610 | R | A | -3.7778 | |
| 611 | K | A | -2.9133 | |
| 612 | E | A | -2.6454 | |
| 613 | I | A | -1.3014 | |
| 614 | Q | A | 0.0000 | |
| 615 | P | A | -0.7006 | |
| 616 | P | A | -0.6057 | |
| 617 | Y | A | -0.5893 | |
| 618 | K | A | -1.6515 | |
| 619 | P | A | 0.0000 | |
| 620 | K | A | -2.6970 | |
| 621 | A | A | -3.1875 | |
| 622 | R | A | -3.7205 | |
| 623 | D | A | -4.2021 | |
| 624 | K | A | -3.6855 | |
| 625 | R | A | -3.3391 | |
| 626 | D | A | 0.0000 | |
| 627 | T | A | -1.5691 | |
| 628 | S | A | -1.3262 | |
| 629 | N | A | -0.8858 | |
| 630 | F | A | -1.2764 | |
| 631 | D | A | -3.1503 | |
| 632 | K | A | -3.8151 | |
| 633 | E | A | -3.6076 | |
| 634 | F | A | -2.4012 | |
| 635 | T | A | -2.1623 | |
| 636 | R | A | -3.1128 | |
| 637 | Q | A | -2.1279 | |
| 638 | P | A | -0.8668 | |
| 639 | V | A | -0.0966 | |
| 640 | E | A | -1.2438 | |
| 641 | L | A | -0.3534 | |
| 642 | T | A | -0.3623 | |
| 643 | P | A | -1.0927 | |
| 644 | T | A | -1.1575 | |
| 645 | D | A | -1.8520 | |
| 646 | K | A | -1.5692 | |
| 647 | L | A | 0.5517 | |
| 648 | F | A | 0.0550 | |
| 649 | I | A | 0.0000 | |
| 650 | M | A | 0.1769 | |
| 651 | N | A | -0.8974 | |
| 652 | L | A | -1.2992 | |
| 653 | D | A | -2.9080 | |
| 654 | Q | A | -2.6432 | |
| 655 | N | A | -3.0648 | |
| 656 | E | A | -3.2220 | |
| 657 | F | A | 0.0000 | |
| 658 | A | A | -1.3213 | |
| 659 | G | A | -0.8102 | |
| 660 | F | A | 0.0000 | |
| 661 | S | A | -0.3554 | |
| 662 | Y | A | -0.2242 | |
| 663 | T | A | -1.0065 | |
| 664 | N | A | -0.5701 | |
| 665 | P | A | -0.8936 | |
| 666 | E | A | -1.4931 | |
| 667 | F | A | 0.0048 | |
| 668 | V | A | 1.5240 | |
| 669 | I | A | 1.2101 | |
| 670 | N | A | 0.3769 | |
| 671 | V | A | 1.1534 |
Calculations for various pH values
This page contains details and comparisons for all models calculated at different pH points.
pH |
Average A3D Score |
Max A3D Score |
|||
| 4.0 | -0.8163 | 4.507 | View | CSV | PDB |
| 4.5 | -0.9002 | 4.5086 | View | CSV | PDB |
| 5.0 | -1.0043 | 4.5132 | View | CSV | PDB |
| 5.5 | -1.108 | 4.5266 | View | CSV | PDB |
| 6.0 | -1.1887 | 4.5585 | View | CSV | PDB |
| 6.5 | -1.2299 | 4.6164 | View | CSV | PDB |
| 7.0 | -1.2313 | 4.6955 | View | CSV | PDB |
| 7.5 | -1.2058 | 4.7853 | View | CSV | PDB |
| 8.0 | -1.1656 | 4.879 | View | CSV | PDB |
| 8.5 | -1.1148 | 4.9738 | View | CSV | PDB |
| 9.0 | -1.0529 | 5.0683 | 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