| Chain sequence(s) | MRRLRRWAIAALLLLPLLPPPGLGALGPRGALHWRSSAHVGSPESPEGSEVTEPSRLVRQSSGGEVRKPQLDTRVRQDPPRGTPVHLAQVSFVIPAFDSNFTLDLELNHHLLSSQYVERHFSREGTRQHSTGAGDHCYYHGKLRGNPQSFAALSTCQGLHGVFSDGNLTYIVEPKEIAGPWGPPQGPLPHLIYRTPLLPAPLGCREPGCLFAVPAQSALPNWPKLRRKRQVRRGHPTVHSETKYVELIVINDHQLFEQMRQSVVLTSNFAKSVVNLADVIYKEQLNTRIVLVAMETWADGDKIQVQDDLLETLARLMVYRREGLPEPSDATHLFSGRTFQSTSSGAAYVGGICSLSRGGGVNEYGNMGAMAVTLAQTLGQNLGMMWNKHRSSAGDCKCPDIWLGCIMEDTGFYLPRKFSRCSIDEYNQFLQEGGGSCLFNKPLKLLDPPECGNGFVEAGEECDCGSVQECSRAGGNCCKKCTLTHDAMCSDGLCCRRCKYEPRGVSCREAVNECDIAETCTGDSSQCPPNLHKLDGYYCDHEQGRCYGGRCKTRDRQCQALWGHAAADRFCYEKLNVEGTERGNCGRKGSGWVQCSKQDVLCGFLLCVNISGAPRLGDLGGDISSVTFYHQGKELDCRGGHVQLADGSDLSYVEDGTACGPNMLCLDHRCLPASAFNFSTCPGSGERRICSHHGVCSNEGKCICQPDWTGKDCSIHNPLPTSPPTGETERYKGPSGTNIIIGSIAGAVLVAAIVLGGTGWGFKNIRRGRSGGA 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] (00:00:00)
[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. (00:00:03)
[INFO] FoldX: Starting FoldX energy minimization (00:00:03)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:10:23)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/a8c0f0b26a38d9/tmp/folded.pdb (00:10:23)
[INFO] Main: Simulation completed successfully. (00:22:19)
|
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 | -0.2726 | |
| 2 | R | A | -2.1999 | |
| 3 | R | A | -2.5101 | |
| 4 | L | A | -0.7808 | |
| 5 | R | A | -2.3159 | |
| 6 | R | A | -1.6417 | |
| 7 | W | A | 0.6792 | |
| 8 | A | A | 0.9446 | |
| 9 | I | A | 2.5416 | |
| 10 | A | A | 1.8263 | |
| 11 | A | A | 2.2238 | |
| 12 | L | A | 3.3859 | |
| 13 | L | A | 3.6623 | |
| 14 | L | A | 3.5591 | |
| 15 | L | A | 3.4389 | |
| 16 | P | A | 2.2126 | |
| 17 | L | A | 2.6549 | |
| 18 | L | A | 2.2287 | |
| 19 | P | A | 0.6151 | |
| 20 | P | A | 0.0759 | |
| 21 | P | A | -0.2052 | |
| 22 | G | A | -0.0510 | |
| 23 | L | A | 1.2256 | |
| 24 | G | A | 0.5359 | |
| 25 | A | A | 0.7925 | |
| 26 | L | A | 1.0861 | |
| 27 | G | A | -0.3527 | |
| 28 | P | A | -1.0778 | |
| 29 | R | A | -1.8265 | |
| 30 | G | A | -1.1617 | |
| 31 | A | A | -0.0868 | |
| 32 | L | A | 0.7890 | |
| 33 | H | A | -0.2813 | |
| 34 | W | A | 0.1497 | |
| 35 | R | A | -1.5106 | |
| 36 | S | A | -1.1277 | |
| 37 | S | A | -0.7095 | |
| 38 | A | A | -0.4717 | |
| 39 | H | A | -0.2959 | |
| 40 | V | A | 0.9651 | |
| 41 | G | A | -0.2704 | |
| 42 | S | A | -0.8108 | |
| 43 | P | A | -1.2686 | |
| 44 | E | A | -2.5635 | |
| 45 | S | A | -1.8057 | |
| 46 | P | A | -1.8592 | |
| 47 | E | A | -2.5684 | |
| 48 | G | A | -1.4293 | |
| 49 | S | A | -0.8264 | |
| 50 | E | A | -0.2921 | |
| 51 | V | A | 0.9560 | |
| 52 | T | A | 0.0000 | |
| 53 | E | A | -1.4239 | |
| 54 | P | A | 0.0000 | |
| 55 | S | A | -1.3748 | |
| 56 | R | A | -1.3117 | |
| 57 | L | A | -1.3860 | |
| 58 | V | A | -1.3892 | |
| 59 | R | A | -2.7870 | |
| 60 | Q | A | -2.2542 | |
| 61 | S | A | -1.4519 | |
| 62 | S | A | -1.3367 | |
| 63 | G | A | -1.6711 | |
| 64 | G | A | -1.6883 | |
| 65 | E | A | -2.3107 | |
| 66 | V | A | -1.4234 | |
| 67 | R | A | -2.1763 | |
| 68 | K | A | -1.8329 | |
| 69 | P | A | -1.7388 | |
| 70 | Q | A | -1.7205 | |
| 71 | L | A | -1.0022 | |
| 72 | D | A | -1.2045 | |
| 73 | T | A | 0.0000 | |
| 74 | R | A | -1.0443 | |
| 75 | V | A | -1.1826 | |
| 76 | R | A | -2.7111 | |
| 77 | Q | A | -2.6393 | |
| 78 | D | A | -2.7985 | |
| 79 | P | A | -2.1022 | |
| 80 | P | A | -1.8182 | |
| 81 | R | A | -2.4235 | |
| 82 | G | A | -1.9737 | |
| 83 | T | A | -1.3120 | |
| 84 | P | A | -1.4254 | |
| 85 | V | A | -0.7442 | |
| 86 | H | A | 0.0000 | |
| 87 | L | A | -0.0564 | |
| 88 | A | A | -0.8472 | |
| 89 | Q | A | -1.6911 | |
| 90 | V | A | 0.0000 | |
| 91 | S | A | -1.3398 | |
| 92 | F | A | 0.0000 | |
| 93 | V | A | 0.0000 | |
| 94 | I | A | 0.0000 | |
| 95 | P | A | -1.2206 | |
| 96 | A | A | 0.0000 | |
| 97 | F | A | -0.8900 | |
| 98 | D | A | -1.9698 | |
| 99 | S | A | -1.4609 | |
| 100 | N | A | -1.6006 | |
| 101 | F | A | -0.9534 | |
| 102 | T | A | -0.9713 | |
| 103 | L | A | 0.0000 | |
| 104 | D | A | -1.6970 | |
| 105 | L | A | 0.0000 | |
| 106 | E | A | -1.9644 | |
| 107 | L | A | 0.0000 | |
| 108 | N | A | 0.0000 | |
| 109 | H | A | -0.5298 | |
| 110 | H | A | -0.4476 | |
| 111 | L | A | 0.0000 | |
| 112 | L | A | 0.0000 | |
| 113 | S | A | 0.0000 | |
| 114 | S | A | -1.0819 | |
| 115 | Q | A | -1.6224 | |
| 116 | Y | A | 0.0000 | |
| 117 | V | A | 0.0000 | |
| 118 | E | A | -0.7350 | |
| 119 | R | A | 0.0000 | |
| 120 | H | A | -1.2462 | |
| 121 | F | A | -1.8834 | |
| 122 | S | A | -2.3474 | |
| 123 | R | A | -3.1967 | |
| 124 | E | A | -3.2761 | |
| 125 | G | A | -2.4556 | |
| 126 | T | A | -2.1545 | |
| 127 | R | A | -2.3681 | |
| 128 | Q | A | -2.4567 | |
| 129 | H | A | -1.9565 | |
| 130 | S | A | -1.2413 | |
| 131 | T | A | -0.9273 | |
| 132 | G | A | -1.0409 | |
| 133 | A | A | -0.7870 | |
| 134 | G | A | -0.3134 | |
| 135 | D | A | -0.2638 | |
| 136 | H | A | 0.0000 | |
| 137 | C | A | 0.0000 | |
| 138 | Y | A | 0.0000 | |
| 139 | Y | A | 0.0000 | |
| 140 | H | A | 0.0000 | |
| 141 | G | A | -1.1977 | |
| 142 | K | A | -1.6854 | |
| 143 | L | A | 0.0000 | |
| 144 | R | A | -1.8001 | |
| 145 | G | A | -1.5171 | |
| 146 | N | A | -1.5824 | |
| 147 | P | A | -1.4779 | |
| 148 | Q | A | -1.8696 | |
| 149 | S | A | 0.0000 | |
| 150 | F | A | -0.9294 | |
| 151 | A | A | 0.0000 | |
| 152 | A | A | 0.0000 | |
| 153 | L | A | 0.0000 | |
| 154 | S | A | 0.0000 | |
| 155 | T | A | 0.0000 | |
| 156 | C | A | 0.0000 | |
| 157 | Q | A | -1.3107 | |
| 158 | G | A | -0.9948 | |
| 159 | L | A | 0.0000 | |
| 160 | H | A | -0.5720 | |
| 161 | G | A | 0.0000 | |
| 162 | V | A | 0.0000 | |
| 163 | F | A | 0.0000 | |
| 164 | S | A | 0.0000 | |
| 165 | D | A | -1.3743 | |
| 166 | G | A | -1.5103 | |
| 167 | N | A | -1.5443 | |
| 168 | L | A | -0.6729 | |
| 169 | T | A | 0.0000 | |
| 170 | Y | A | 0.0000 | |
| 171 | I | A | 0.1559 | |
| 172 | V | A | 0.0000 | |
| 173 | E | A | -0.7280 | |
| 174 | P | A | -1.1023 | |
| 175 | K | A | -1.0362 | |
| 176 | E | A | -1.8740 | |
| 177 | I | A | -0.5498 | |
| 178 | A | A | -0.3455 | |
| 179 | G | A | -0.0726 | |
| 180 | P | A | 0.1598 | |
| 181 | W | A | 0.7850 | |
| 182 | G | A | -0.2276 | |
| 183 | P | A | -0.4729 | |
| 184 | P | A | -0.6420 | |
| 185 | Q | A | -1.4440 | |
| 186 | G | A | -1.2209 | |
| 187 | P | A | -1.1085 | |
| 188 | L | A | -0.7158 | |
| 189 | P | A | -0.4728 | |
| 190 | H | A | 0.0000 | |
| 191 | L | A | 0.0077 | |
| 192 | I | A | 0.0000 | |
| 193 | Y | A | -0.1320 | |
| 194 | R | A | -0.8728 | |
| 195 | T | A | 0.0781 | |
| 196 | P | A | -0.2120 | |
| 197 | L | A | 0.6226 | |
| 198 | L | A | 1.1536 | |
| 199 | P | A | 0.5843 | |
| 200 | A | A | 0.5240 | |
| 201 | P | A | 0.6455 | |
| 202 | L | A | 1.1439 | |
| 203 | G | A | -0.1317 | |
| 204 | C | A | -0.5024 | |
| 205 | R | A | -2.3120 | |
| 206 | E | A | -2.6540 | |
| 207 | P | A | -1.2767 | |
| 208 | G | A | -0.2748 | |
| 209 | C | A | 1.2646 | |
| 210 | L | A | 2.9114 | |
| 211 | F | A | 3.3547 | |
| 212 | A | A | 2.3189 | |
| 213 | V | A | 2.2762 | |
| 214 | P | A | 0.5475 | |
| 215 | A | A | -0.2322 | |
| 216 | Q | A | -0.8596 | |
| 217 | S | A | -0.4361 | |
| 218 | A | A | 0.1547 | |
| 219 | L | A | 1.0820 | |
| 220 | P | A | 0.1316 | |
| 221 | N | A | -0.7410 | |
| 222 | W | A | 0.3266 | |
| 223 | P | A | -0.6874 | |
| 224 | K | A | -1.6854 | |
| 225 | L | A | -0.7786 | |
| 226 | R | A | -3.2243 | |
| 227 | R | A | -4.0677 | |
| 228 | K | A | -3.8827 | |
| 229 | R | A | -3.8497 | |
| 230 | Q | A | -2.7371 | |
| 231 | V | A | -1.1898 | |
| 232 | R | A | -2.7283 | |
| 233 | R | A | -2.6753 | |
| 234 | G | A | -1.8410 | |
| 235 | H | A | -1.7320 | |
| 236 | P | A | -0.9941 | |
| 237 | T | A | -0.8701 | |
| 238 | V | A | 0.0000 | |
| 239 | H | A | -0.8962 | |
| 240 | S | A | -0.6868 | |
| 241 | E | A | -0.4560 | |
| 242 | T | A | -0.7851 | |
| 243 | K | A | 0.0000 | |
| 244 | Y | A | 0.0000 | |
| 245 | V | A | 0.0000 | |
| 246 | E | A | -0.6838 | |
| 247 | L | A | 0.0000 | |
| 248 | I | A | 0.0000 | |
| 249 | V | A | 0.0000 | |
| 250 | I | A | 0.0000 | |
| 251 | N | A | 0.0000 | |
| 252 | D | A | 0.0000 | |
| 253 | H | A | -1.2462 | |
| 254 | Q | A | -1.1207 | |
| 255 | L | A | 0.0000 | |
| 256 | F | A | 0.0000 | |
| 257 | E | A | -2.2206 | |
| 258 | Q | A | -1.6046 | |
| 259 | M | A | -1.1868 | |
| 260 | R | A | -2.4241 | |
| 261 | Q | A | -2.2001 | |
| 262 | S | A | -0.4002 | |
| 263 | V | A | 0.8108 | |
| 264 | V | A | 1.8692 | |
| 265 | L | A | 0.9466 | |
| 266 | T | A | 0.0000 | |
| 267 | S | A | 0.0000 | |
| 268 | N | A | 0.0000 | |
| 269 | F | A | 0.0000 | |
| 270 | A | A | 0.0000 | |
| 271 | K | A | 0.0000 | |
| 272 | S | A | 0.0000 | |
| 273 | V | A | 0.0000 | |
| 274 | V | A | 0.0000 | |
| 275 | N | A | 0.0000 | |
| 276 | L | A | 0.0000 | |
| 277 | A | A | 0.0000 | |
| 278 | D | A | 0.0000 | |
| 279 | V | A | 0.0000 | |
| 280 | I | A | 0.0000 | |
| 281 | Y | A | 0.0000 | |
| 282 | K | A | -1.8161 | |
| 283 | E | A | -2.4846 | |
| 284 | Q | A | -1.6204 | |
| 285 | L | A | 0.0000 | |
| 286 | N | A | -1.4669 | |
| 287 | T | A | 0.0000 | |
| 288 | R | A | 0.0000 | |
| 289 | I | A | 0.0000 | |
| 290 | V | A | 0.0000 | |
| 291 | L | A | 0.0000 | |
| 292 | V | A | 0.0000 | |
| 293 | A | A | 0.0000 | |
| 294 | M | A | 0.0000 | |
| 295 | E | A | 0.0000 | |
| 296 | T | A | 0.0000 | |
| 297 | W | A | 0.0000 | |
| 298 | A | A | 0.0000 | |
| 299 | D | A | -2.0069 | |
| 300 | G | A | -1.3593 | |
| 301 | D | A | -1.2945 | |
| 302 | K | A | -1.1985 | |
| 303 | I | A | -0.7775 | |
| 304 | Q | A | -1.8404 | |
| 305 | V | A | 0.0000 | |
| 306 | Q | A | -2.3576 | |
| 307 | D | A | -3.2844 | |
| 308 | D | A | -2.8931 | |
| 309 | L | A | 0.0000 | |
| 310 | L | A | -0.8665 | |
| 311 | E | A | -1.9248 | |
| 312 | T | A | 0.0000 | |
| 313 | L | A | 0.0000 | |
| 314 | A | A | -0.1104 | |
| 315 | R | A | -0.2674 | |
| 316 | L | A | 0.0000 | |
| 317 | M | A | 0.0000 | |
| 318 | V | A | 0.7514 | |
| 319 | Y | A | -0.3939 | |
| 320 | R | A | 0.0000 | |
| 321 | R | A | -1.7630 | |
| 322 | E | A | -2.1300 | |
| 323 | G | A | -1.2469 | |
| 324 | L | A | -0.9958 | |
| 325 | P | A | -0.9164 | |
| 326 | E | A | -0.5689 | |
| 327 | P | A | -0.2896 | |
| 328 | S | A | -0.0833 | |
| 329 | D | A | 0.0000 | |
| 330 | A | A | 0.0000 | |
| 331 | T | A | 0.0000 | |
| 332 | H | A | 0.0000 | |
| 333 | L | A | 0.0000 | |
| 334 | F | A | 0.0000 | |
| 335 | S | A | 0.0000 | |
| 336 | G | A | 0.0000 | |
| 337 | R | A | -1.0015 | |
| 338 | T | A | -0.9619 | |
| 339 | F | A | 0.0000 | |
| 340 | Q | A | -2.2621 | |
| 341 | S | A | -1.2714 | |
| 342 | T | A | -0.6945 | |
| 343 | S | A | -0.7850 | |
| 344 | S | A | -0.4979 | |
| 345 | G | A | 0.0000 | |
| 346 | A | A | 0.0000 | |
| 347 | A | A | 0.0000 | |
| 348 | Y | A | 0.0565 | |
| 349 | V | A | 0.0924 | |
| 350 | G | A | -0.0760 | |
| 351 | G | A | 0.0000 | |
| 352 | I | A | 0.0000 | |
| 353 | C | A | 0.4315 | |
| 354 | S | A | 0.3568 | |
| 355 | L | A | 0.8573 | |
| 356 | S | A | 0.3823 | |
| 357 | R | A | 0.1545 | |
| 358 | G | A | 0.0000 | |
| 359 | G | A | 0.0000 | |
| 360 | G | A | 0.0000 | |
| 361 | V | A | 0.0000 | |
| 362 | N | A | 0.0000 | |
| 363 | E | A | -0.0755 | |
| 364 | Y | A | 0.0972 | |
| 365 | G | A | -0.4511 | |
| 366 | N | A | -1.1404 | |
| 367 | M | A | 0.0000 | |
| 368 | G | A | 0.0000 | |
| 369 | A | A | -0.0719 | |
| 370 | M | A | 0.0000 | |
| 371 | A | A | 0.0000 | |
| 372 | V | A | 0.0000 | |
| 373 | T | A | 0.0000 | |
| 374 | L | A | 0.0000 | |
| 375 | A | A | 0.0000 | |
| 376 | Q | A | 0.0000 | |
| 377 | T | A | 0.0000 | |
| 378 | L | A | 0.0000 | |
| 379 | G | A | 0.0000 | |
| 380 | Q | A | 0.0000 | |
| 381 | N | A | 0.0000 | |
| 382 | L | A | 0.0000 | |
| 383 | G | A | -0.3923 | |
| 384 | M | A | 0.0000 | |
| 385 | M | A | -0.1839 | |
| 386 | W | A | -0.9533 | |
| 387 | N | A | -1.7322 | |
| 388 | K | A | -2.9551 | |
| 389 | H | A | -2.2937 | |
| 390 | R | A | -2.2009 | |
| 391 | S | A | -1.4327 | |
| 392 | S | A | -1.0285 | |
| 393 | A | A | -1.5953 | |
| 394 | G | A | -1.7884 | |
| 395 | D | A | -2.8482 | |
| 396 | C | A | -2.5740 | |
| 397 | K | A | -2.3989 | |
| 398 | C | A | -1.0649 | |
| 399 | P | A | -0.6092 | |
| 400 | D | A | 0.3126 | |
| 401 | I | A | 1.8121 | |
| 402 | W | A | 1.7788 | |
| 403 | L | A | 1.1216 | |
| 404 | G | A | -0.0830 | |
| 405 | C | A | 0.0000 | |
| 406 | I | A | 0.0000 | |
| 407 | M | A | 0.0000 | |
| 408 | E | A | -1.8706 | |
| 409 | D | A | -2.2377 | |
| 410 | T | A | -0.7352 | |
| 411 | G | A | 0.0536 | |
| 412 | F | A | 1.7004 | |
| 413 | Y | A | 1.3196 | |
| 414 | L | A | 0.5121 | |
| 415 | P | A | 0.0000 | |
| 416 | R | A | -0.6607 | |
| 417 | K | A | -1.4102 | |
| 418 | F | A | 0.0000 | |
| 419 | S | A | 0.0000 | |
| 420 | R | A | -2.7255 | |
| 421 | C | A | -1.8680 | |
| 422 | S | A | 0.0000 | |
| 423 | I | A | -1.2882 | |
| 424 | D | A | -2.4314 | |
| 425 | E | A | -1.7606 | |
| 426 | Y | A | 0.0000 | |
| 427 | N | A | -1.7584 | |
| 428 | Q | A | -2.1862 | |
| 429 | F | A | 0.0000 | |
| 430 | L | A | 0.0000 | |
| 431 | Q | A | -1.7420 | |
| 432 | E | A | -1.4940 | |
| 433 | G | A | -1.0623 | |
| 434 | G | A | 0.0000 | |
| 435 | G | A | 0.0000 | |
| 436 | S | A | -0.0750 | |
| 437 | C | A | -0.0451 | |
| 438 | L | A | 0.0000 | |
| 439 | F | A | -0.6878 | |
| 440 | N | A | -1.5413 | |
| 441 | K | A | -1.7666 | |
| 442 | P | A | -0.4742 | |
| 443 | L | A | 0.9855 | |
| 444 | K | A | -0.3578 | |
| 445 | L | A | 0.0000 | |
| 446 | L | A | -1.3211 | |
| 447 | D | A | -2.2835 | |
| 448 | P | A | -1.4982 | |
| 449 | P | A | -1.0989 | |
| 450 | E | A | -0.8969 | |
| 451 | C | A | -0.6187 | |
| 452 | G | A | -0.4568 | |
| 453 | N | A | 0.0000 | |
| 454 | G | A | -0.0409 | |
| 455 | F | A | 0.0000 | |
| 456 | V | A | 0.9800 | |
| 457 | E | A | 0.0000 | |
| 458 | A | A | -0.6911 | |
| 459 | G | A | -0.8976 | |
| 460 | E | A | -1.3548 | |
| 461 | E | A | -2.0076 | |
| 462 | C | A | 0.0000 | |
| 463 | D | A | 0.0000 | |
| 464 | C | A | -1.0378 | |
| 465 | G | A | 0.0000 | |
| 466 | S | A | -0.4358 | |
| 467 | V | A | 0.0784 | |
| 468 | Q | A | -1.5254 | |
| 469 | E | A | -2.1403 | |
| 470 | C | A | -1.6904 | |
| 471 | S | A | -1.6889 | |
| 472 | R | A | -2.5888 | |
| 473 | A | A | -1.9431 | |
| 474 | G | A | -2.1191 | |
| 475 | G | A | -1.9026 | |
| 476 | N | A | -2.1780 | |
| 477 | C | A | 0.0000 | |
| 478 | C | A | 0.0000 | |
| 479 | K | A | -2.7026 | |
| 480 | K | A | -2.5319 | |
| 481 | C | A | 0.0000 | |
| 482 | T | A | -1.8644 | |
| 483 | L | A | -1.5202 | |
| 484 | T | A | -1.7134 | |
| 485 | H | A | -1.6872 | |
| 486 | D | A | -2.2173 | |
| 487 | A | A | -1.4559 | |
| 488 | M | A | -1.0570 | |
| 489 | C | A | 0.0000 | |
| 490 | S | A | -1.7063 | |
| 491 | D | A | -1.9410 | |
| 492 | G | A | -1.1413 | |
| 493 | L | A | -0.5908 | |
| 494 | C | A | 0.0000 | |
| 495 | C | A | -2.0905 | |
| 496 | R | A | -3.0828 | |
| 497 | R | A | -3.2279 | |
| 498 | C | A | -2.4662 | |
| 499 | K | A | -2.5350 | |
| 500 | Y | A | -1.8138 | |
| 501 | E | A | -1.6623 | |
| 502 | P | A | -1.3435 | |
| 503 | R | A | -1.3854 | |
| 504 | G | A | -0.7334 | |
| 505 | V | A | -0.0758 | |
| 506 | S | A | -0.5042 | |
| 507 | C | A | 0.0000 | |
| 508 | R | A | 0.0000 | |
| 509 | E | A | -1.7894 | |
| 510 | A | A | -1.1952 | |
| 511 | V | A | -0.9100 | |
| 512 | N | A | -1.5185 | |
| 513 | E | A | -2.0822 | |
| 514 | C | A | 0.0000 | |
| 515 | D | A | 0.0000 | |
| 516 | I | A | 0.0000 | |
| 517 | A | A | -0.7694 | |
| 518 | E | A | 0.0000 | |
| 519 | T | A | -0.4201 | |
| 520 | C | A | 0.0000 | |
| 521 | T | A | -1.2321 | |
| 522 | G | A | -1.7476 | |
| 523 | D | A | -2.2535 | |
| 524 | S | A | -1.4489 | |
| 525 | S | A | -1.4827 | |
| 526 | Q | A | -1.8306 | |
| 527 | C | A | -0.6224 | |
| 528 | P | A | -0.4984 | |
| 529 | P | A | -0.7338 | |
| 530 | N | A | -0.2182 | |
| 531 | L | A | -0.6161 | |
| 532 | H | A | -0.9836 | |
| 533 | K | A | -1.1222 | |
| 534 | L | A | -1.0114 | |
| 535 | D | A | -0.3254 | |
| 536 | G | A | -0.0489 | |
| 537 | Y | A | -0.0972 | |
| 538 | Y | A | -0.9290 | |
| 539 | C | A | 0.0000 | |
| 540 | D | A | -2.7573 | |
| 541 | H | A | -2.6252 | |
| 542 | E | A | -3.0792 | |
| 543 | Q | A | -2.7174 | |
| 544 | G | A | 0.0000 | |
| 545 | R | A | 0.0000 | |
| 546 | C | A | 0.0000 | |
| 547 | Y | A | -0.5633 | |
| 548 | G | A | -0.8123 | |
| 549 | G | A | 0.0000 | |
| 550 | R | A | -1.1003 | |
| 551 | C | A | 0.0000 | |
| 552 | K | A | -1.2322 | |
| 553 | T | A | 0.0000 | |
| 554 | R | A | -1.3640 | |
| 555 | D | A | -1.3697 | |
| 556 | R | A | -1.5303 | |
| 557 | Q | A | 0.0000 | |
| 558 | C | A | 0.0000 | |
| 559 | Q | A | -1.6112 | |
| 560 | A | A | -0.9629 | |
| 561 | L | A | 0.0000 | |
| 562 | W | A | 0.0000 | |
| 563 | G | A | -1.2517 | |
| 564 | H | A | -1.3524 | |
| 565 | A | A | -1.1638 | |
| 566 | A | A | -1.0566 | |
| 567 | A | A | -1.2168 | |
| 568 | D | A | -1.4560 | |
| 569 | R | A | -2.3276 | |
| 570 | F | A | -1.3386 | |
| 571 | C | A | 0.0000 | |
| 572 | Y | A | 0.0000 | |
| 573 | E | A | -2.4165 | |
| 574 | K | A | -1.7779 | |
| 575 | L | A | 0.0000 | |
| 576 | N | A | 0.0000 | |
| 577 | V | A | -1.5025 | |
| 578 | E | A | -2.4357 | |
| 579 | G | A | -1.7185 | |
| 580 | T | A | -1.6308 | |
| 581 | E | A | -1.9309 | |
| 582 | R | A | -1.9482 | |
| 583 | G | A | 0.0000 | |
| 584 | N | A | 0.0000 | |
| 585 | C | A | -1.2925 | |
| 586 | G | A | 0.0000 | |
| 587 | R | A | -2.3833 | |
| 588 | K | A | -2.5040 | |
| 589 | G | A | -1.7241 | |
| 590 | S | A | -1.1854 | |
| 591 | G | A | -1.4640 | |
| 592 | W | A | -1.5701 | |
| 593 | V | A | -1.2909 | |
| 594 | Q | A | -1.6763 | |
| 595 | C | A | 0.0000 | |
| 596 | S | A | -1.8018 | |
| 597 | K | A | -2.4047 | |
| 598 | Q | A | -2.1191 | |
| 599 | D | A | 0.0000 | |
| 600 | V | A | 0.0000 | |
| 601 | L | A | -1.1520 | |
| 602 | C | A | 0.0000 | |
| 603 | G | A | 0.0000 | |
| 604 | F | A | 0.0000 | |
| 605 | L | A | 0.0000 | |
| 606 | L | A | 0.0000 | |
| 607 | C | A | 0.0000 | |
| 608 | V | A | -0.8286 | |
| 609 | N | A | -1.4793 | |
| 610 | I | A | 0.0000 | |
| 611 | S | A | -0.8245 | |
| 612 | G | A | -0.6677 | |
| 613 | A | A | -0.7869 | |
| 614 | P | A | -0.8480 | |
| 615 | R | A | -1.3891 | |
| 616 | L | A | -0.9427 | |
| 617 | G | A | -1.8014 | |
| 618 | D | A | -2.4568 | |
| 619 | L | A | -1.4211 | |
| 620 | G | A | -1.5427 | |
| 621 | G | A | -1.5780 | |
| 622 | D | A | -1.8884 | |
| 623 | I | A | -0.9639 | |
| 624 | S | A | -1.0684 | |
| 625 | S | A | -0.6433 | |
| 626 | V | A | 0.1743 | |
| 627 | T | A | -0.1308 | |
| 628 | F | A | 0.0048 | |
| 629 | Y | A | -0.1369 | |
| 630 | H | A | -1.0973 | |
| 631 | Q | A | -1.9132 | |
| 632 | G | A | -1.8382 | |
| 633 | K | A | -2.5116 | |
| 634 | E | A | -2.2905 | |
| 635 | L | A | 0.0000 | |
| 636 | D | A | -0.9474 | |
| 637 | C | A | 0.0000 | |
| 638 | R | A | -0.7960 | |
| 639 | G | A | 0.0000 | |
| 640 | G | A | 0.0000 | |
| 641 | H | A | -1.4799 | |
| 642 | V | A | 0.0000 | |
| 643 | Q | A | -2.1646 | |
| 644 | L | A | 0.0000 | |
| 645 | A | A | -0.5897 | |
| 646 | D | A | 0.0000 | |
| 647 | G | A | -0.7751 | |
| 648 | S | A | -0.8262 | |
| 649 | D | A | -1.5921 | |
| 650 | L | A | -1.0251 | |
| 651 | S | A | 0.0000 | |
| 652 | Y | A | 0.0000 | |
| 653 | V | A | 0.0000 | |
| 654 | E | A | -1.9236 | |
| 655 | D | A | -1.9957 | |
| 656 | G | A | 0.0000 | |
| 657 | T | A | 0.0000 | |
| 658 | A | A | 0.0000 | |
| 659 | C | A | 0.0000 | |
| 660 | G | A | -0.7649 | |
| 661 | P | A | -1.2580 | |
| 662 | N | A | -1.4501 | |
| 663 | M | A | -0.6191 | |
| 664 | L | A | 0.0000 | |
| 665 | C | A | 0.0000 | |
| 666 | L | A | -1.4050 | |
| 667 | D | A | -2.4549 | |
| 668 | H | A | -1.8912 | |
| 669 | R | A | -2.0595 | |
| 670 | C | A | 0.0000 | |
| 671 | L | A | -0.5096 | |
| 672 | P | A | -0.4576 | |
| 673 | A | A | -0.5795 | |
| 674 | S | A | -0.5882 | |
| 675 | A | A | -0.1856 | |
| 676 | F | A | -0.2670 | |
| 677 | N | A | -1.0650 | |
| 678 | F | A | -0.4235 | |
| 679 | S | A | -0.9584 | |
| 680 | T | A | -0.7952 | |
| 681 | C | A | 0.0000 | |
| 682 | P | A | -1.1439 | |
| 683 | G | A | -1.1589 | |
| 684 | S | A | -1.4674 | |
| 685 | G | A | -2.2696 | |
| 686 | E | A | -3.1423 | |
| 687 | R | A | -3.3899 | |
| 688 | R | A | -2.8000 | |
| 689 | I | A | -1.1239 | |
| 690 | C | A | 0.0000 | |
| 691 | S | A | 0.0000 | |
| 692 | H | A | -1.6408 | |
| 693 | H | A | -0.9249 | |
| 694 | G | A | -0.7568 | |
| 695 | V | A | -0.1678 | |
| 696 | C | A | 0.0000 | |
| 697 | S | A | 0.0000 | |
| 698 | N | A | -2.2142 | |
| 699 | E | A | -2.8456 | |
| 700 | G | A | -1.9814 | |
| 701 | K | A | -2.6933 | |
| 702 | C | A | -1.4369 | |
| 703 | I | A | -0.2955 | |
| 704 | C | A | -0.6852 | |
| 705 | Q | A | -1.3347 | |
| 706 | P | A | -1.3162 | |
| 707 | D | A | -1.5935 | |
| 708 | W | A | -0.9115 | |
| 709 | T | A | -0.8146 | |
| 710 | G | A | -0.8684 | |
| 711 | K | A | -2.1059 | |
| 712 | D | A | -1.3422 | |
| 713 | C | A | 0.0000 | |
| 714 | S | A | -0.4681 | |
| 715 | I | A | 0.1796 | |
| 716 | H | A | -1.2145 | |
| 717 | N | A | -1.5952 | |
| 718 | P | A | -1.2627 | |
| 719 | L | A | -0.7671 | |
| 720 | P | A | -0.6410 | |
| 721 | T | A | -0.3390 | |
| 722 | S | A | -0.4910 | |
| 723 | P | A | -1.0781 | |
| 724 | P | A | -1.0230 | |
| 725 | T | A | -1.2410 | |
| 726 | G | A | -1.7579 | |
| 727 | E | A | -3.0764 | |
| 728 | T | A | -2.3878 | |
| 729 | E | A | -3.3038 | |
| 730 | R | A | -2.9850 | |
| 731 | Y | A | -1.1790 | |
| 732 | K | A | -2.2265 | |
| 733 | G | A | -1.1368 | |
| 734 | P | A | -0.7907 | |
| 735 | S | A | -0.3436 | |
| 736 | G | A | 0.2085 | |
| 737 | T | A | 0.8831 | |
| 738 | N | A | 0.8364 | |
| 739 | I | A | 2.7791 | |
| 740 | I | A | 3.6241 | |
| 741 | I | A | 3.3591 | |
| 742 | G | A | 2.0438 | |
| 743 | S | A | 2.5178 | |
| 744 | I | A | 3.7927 | |
| 745 | A | A | 2.9539 | |
| 746 | G | A | 2.2994 | |
| 747 | A | A | 2.8576 | |
| 748 | V | A | 3.9520 | |
| 749 | L | A | 4.4060 | |
| 750 | V | A | 4.5927 | |
| 751 | A | A | 3.5999 | |
| 752 | A | A | 3.5155 | |
| 753 | I | A | 4.3363 | |
| 754 | V | A | 4.1452 | |
| 755 | L | A | 3.1859 | |
| 756 | G | A | 1.7753 | |
| 757 | G | A | 1.5300 | |
| 758 | T | A | 1.4517 | |
| 759 | G | A | 1.2220 | |
| 760 | W | A | 1.3107 | |
| 761 | G | A | 0.6430 | |
| 762 | F | A | 0.9963 | |
| 763 | K | A | -1.0052 | |
| 764 | N | A | -1.4420 | |
| 765 | I | A | -0.8553 | |
| 766 | R | A | -3.1036 | |
| 767 | R | A | -3.5653 | |
| 768 | G | A | -2.9883 | |
| 769 | R | A | -3.3655 | |
| 770 | S | A | -2.2815 | |
| 771 | G | A | -1.7009 | |
| 772 | G | A | -1.1395 | |
| 773 | A | A | -0.5123 |
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 | -0.3796 | 6.6339 | View | CSV | PDB |
| 4.5 | -0.4294 | 6.6339 | View | CSV | PDB |
| 5.0 | -0.4906 | 6.6339 | View | CSV | PDB |
| 5.5 | -0.5511 | 6.6339 | View | CSV | PDB |
| 6.0 | -0.5992 | 6.6339 | View | CSV | PDB |
| 6.5 | -0.6287 | 6.6339 | View | CSV | PDB |
| 7.0 | -0.641 | 6.6339 | View | CSV | PDB |
| 7.5 | -0.6425 | 6.6339 | View | CSV | PDB |
| 8.0 | -0.6379 | 6.6339 | View | CSV | PDB |
| 8.5 | -0.6283 | 6.6339 | View | CSV | PDB |
| 9.0 | -0.6128 | 6.6339 | 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