| Chain sequence(s) | MAIQFRSLFPLALPGMLALLGWWWFFSRKKDRLSSNGKQVGTLKVGPAIEDRLPTEEACPGVLSVTPSVTQPPGKEEQRSMDRPLSDPPALPRTRQVRRRSESSGNLPSIVDTRLQAGQCSDENSKVVLSLMGDEAKSIPLGRPLFPKDLSFPYEAVEGCKQESALGRTPGRGWLSQCAASGENARETGGAEGTGDAVLGESVLEEGLLPQECVSEVEKSEFPILAPGGGGGEKVRSGPPQVDELLKKEEYIVGKLPSSFVGPVHSELVKDEGALVPQVKGSQDRSLARELDKDKTLPEKDQIEQTAFQIISQVILEATEEIRATTVGKTVAQVHPTPGTQPQGQEESCVPASQETSLGQEIPDPASTRTGATASPSAGAPPPKTYVSCLSSPLSGPTKDQKPKNSAHHISLAPCPPPVTPQRQSLDGASNPRGDDTFVTCTSNNSQSVLSVTSLGLCSDPVSTSRLEDSCTETISSSGDKAVTPPLPDSTEPFSNGVLKEELSDLGTEDGWTMDTEADHSGGSDGNSMDSVDSCCGLTKPDSPQTVQAGSNPKKVDLIIWEIEVPKHLVGRLIGKQGRYVSFLKQTSGAKIYISTLPYTQNIQICHIEGSQHHVDKALNLIGKKFKELNLTNIYAPPLPSLALPSLPMTSWLMLPDGITVEVIVVNQVNAGHLFVQQHTHPTFHALRSLDQQMYLCYSQPGIPTLPTPVEITVICAAPGADGAWWRAQVVASYEETNEVEIRYVDYGGYKRVKVDVLRQIRSDFVTLPFQGAEVLLDSVVPLSDDDHFSPEADAAMSEMTGNTALLAQVTSYSATGLPLIQLWSVVGDEVVLINRSLVERGLAQWVDSCYASL 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 partially or entirely disordered. Average score is
recommended for pH analysis. (00:00:03)
[INFO] FoldX: Starting FoldX energy minimization (00:00:04)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:07:14)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/8db639f2eb5f4a/tmp/folded.pdb (00:07:14)
[INFO] Main: Simulation completed successfully. (00:12:24)
|
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 | 1.5434 | |
| 2 | A | A | 1.3796 | |
| 3 | I | A | 1.9678 | |
| 4 | Q | A | 0.9534 | |
| 5 | F | A | 2.1908 | |
| 6 | R | A | 0.5211 | |
| 7 | S | A | 1.0993 | |
| 8 | L | A | 2.8501 | |
| 9 | F | A | 2.8563 | |
| 10 | P | A | 1.7369 | |
| 11 | L | A | 2.3415 | |
| 12 | A | A | 2.1459 | |
| 13 | L | A | 2.0913 | |
| 14 | P | A | 1.3178 | |
| 15 | G | A | 1.0156 | |
| 16 | M | A | 1.9885 | |
| 17 | L | A | 2.4373 | |
| 18 | A | A | 1.9340 | |
| 19 | L | A | 2.8291 | |
| 20 | L | A | 2.8427 | |
| 21 | G | A | 2.6229 | |
| 22 | W | A | 3.3931 | |
| 23 | W | A | 3.1487 | |
| 24 | W | A | 2.4297 | |
| 25 | F | A | 2.4934 | |
| 26 | F | A | 0.9361 | |
| 27 | S | A | -0.7613 | |
| 28 | R | A | -2.2258 | |
| 29 | K | A | -2.3099 | |
| 30 | K | A | -3.1334 | |
| 31 | D | A | -4.0311 | |
| 32 | R | A | -3.5204 | |
| 33 | L | A | -1.4053 | |
| 34 | S | A | -2.2259 | |
| 35 | S | A | -2.2993 | |
| 36 | N | A | -2.4262 | |
| 37 | G | A | -1.7350 | |
| 38 | K | A | -2.5114 | |
| 39 | Q | A | -1.6363 | |
| 40 | V | A | 0.6378 | |
| 41 | G | A | -0.0624 | |
| 42 | T | A | 0.4507 | |
| 43 | L | A | 1.2052 | |
| 44 | K | A | -0.2710 | |
| 45 | V | A | 1.0711 | |
| 46 | G | A | 0.2529 | |
| 47 | P | A | 0.4354 | |
| 48 | A | A | 0.5312 | |
| 49 | I | A | 0.6703 | |
| 50 | E | A | -2.1062 | |
| 51 | D | A | -2.9393 | |
| 52 | R | A | -2.2901 | |
| 53 | L | A | -0.2780 | |
| 54 | P | A | -0.7333 | |
| 55 | T | A | -1.1739 | |
| 56 | E | A | -2.8443 | |
| 57 | E | A | -2.7011 | |
| 58 | A | A | -0.8705 | |
| 59 | C | A | -0.0079 | |
| 60 | P | A | 0.4332 | |
| 61 | G | A | 0.8751 | |
| 62 | V | A | 2.1465 | |
| 63 | L | A | 2.5931 | |
| 64 | S | A | 1.9629 | |
| 65 | V | A | 1.9688 | |
| 66 | T | A | 0.7322 | |
| 67 | P | A | 0.3372 | |
| 68 | S | A | 0.5706 | |
| 69 | V | A | 1.3131 | |
| 70 | T | A | 0.2588 | |
| 71 | Q | A | -1.0301 | |
| 72 | P | A | -1.0693 | |
| 73 | P | A | -1.2049 | |
| 74 | G | A | -1.8178 | |
| 75 | K | A | -3.2565 | |
| 76 | E | A | -4.0177 | |
| 77 | E | A | -4.1740 | |
| 78 | Q | A | -3.4933 | |
| 79 | R | A | -2.7510 | |
| 80 | S | A | -1.3718 | |
| 81 | M | A | -0.9543 | |
| 82 | D | A | -2.1516 | |
| 83 | R | A | -2.2383 | |
| 84 | P | A | -0.7375 | |
| 85 | L | A | 0.5363 | |
| 86 | S | A | -0.4857 | |
| 87 | D | A | -1.7661 | |
| 88 | P | A | -1.2554 | |
| 89 | P | A | -0.4312 | |
| 90 | A | A | 0.5986 | |
| 91 | L | A | 0.9992 | |
| 92 | P | A | -0.2337 | |
| 93 | R | A | -2.0471 | |
| 94 | T | A | -2.2656 | |
| 95 | R | A | -2.5508 | |
| 96 | Q | A | -1.7840 | |
| 97 | V | A | -0.6113 | |
| 98 | R | A | -2.3814 | |
| 99 | R | A | -3.2746 | |
| 100 | R | A | -3.6047 | |
| 101 | S | A | -2.5563 | |
| 102 | E | A | -2.4537 | |
| 103 | S | A | -1.3681 | |
| 104 | S | A | -1.2014 | |
| 105 | G | A | -0.9182 | |
| 106 | N | A | -0.8011 | |
| 107 | L | A | 0.7838 | |
| 108 | P | A | 0.6608 | |
| 109 | S | A | 1.0771 | |
| 110 | I | A | 2.4788 | |
| 111 | V | A | 1.7132 | |
| 112 | D | A | -0.8578 | |
| 113 | T | A | -1.2089 | |
| 114 | R | A | -1.7973 | |
| 115 | L | A | 0.0048 | |
| 116 | Q | A | -0.7941 | |
| 117 | A | A | -0.6733 | |
| 118 | G | A | -1.1296 | |
| 119 | Q | A | -1.0964 | |
| 120 | C | A | -0.4257 | |
| 121 | S | A | -1.4783 | |
| 122 | D | A | -2.9359 | |
| 123 | E | A | -3.4244 | |
| 124 | N | A | -2.9129 | |
| 125 | S | A | -1.4541 | |
| 126 | K | A | -0.8053 | |
| 127 | V | A | 1.9128 | |
| 128 | V | A | 2.8706 | |
| 129 | L | A | 2.9763 | |
| 130 | S | A | 1.9169 | |
| 131 | L | A | 2.1535 | |
| 132 | M | A | 1.0580 | |
| 133 | G | A | -0.9159 | |
| 134 | D | A | -2.6351 | |
| 135 | E | A | -3.0759 | |
| 136 | A | A | -2.1209 | |
| 137 | K | A | -1.7134 | |
| 138 | S | A | -0.1124 | |
| 139 | I | A | 1.7950 | |
| 140 | P | A | 1.3092 | |
| 141 | L | A | 1.2459 | |
| 142 | G | A | -0.5316 | |
| 143 | R | A | -1.1227 | |
| 144 | P | A | -0.0507 | |
| 145 | L | A | 1.4881 | |
| 146 | F | A | 1.6286 | |
| 147 | P | A | 0.1066 | |
| 148 | K | A | -1.6184 | |
| 149 | D | A | -1.5730 | |
| 150 | L | A | 0.5269 | |
| 151 | S | A | 0.7629 | |
| 152 | F | A | 1.7721 | |
| 153 | P | A | 0.8327 | |
| 154 | Y | A | 0.9283 | |
| 155 | E | A | -0.8845 | |
| 156 | A | A | -0.1069 | |
| 157 | V | A | 0.6281 | |
| 158 | E | A | -1.4034 | |
| 159 | G | A | -1.0155 | |
| 160 | C | A | -1.1323 | |
| 161 | K | A | -2.7645 | |
| 162 | Q | A | -2.7828 | |
| 163 | E | A | -2.6875 | |
| 164 | S | A | -1.1997 | |
| 165 | A | A | -0.2375 | |
| 166 | L | A | 0.7090 | |
| 167 | G | A | -0.6679 | |
| 168 | R | A | -1.8333 | |
| 169 | T | A | -1.2930 | |
| 170 | P | A | -1.3664 | |
| 171 | G | A | -1.5903 | |
| 172 | R | A | -1.9583 | |
| 173 | G | A | -0.7500 | |
| 174 | W | A | 1.2467 | |
| 175 | L | A | 1.4754 | |
| 176 | S | A | 0.3425 | |
| 177 | Q | A | -0.6016 | |
| 178 | C | A | 0.1473 | |
| 179 | A | A | 0.1812 | |
| 180 | A | A | 0.0359 | |
| 181 | S | A | -0.7479 | |
| 182 | G | A | -1.6920 | |
| 183 | E | A | -2.6962 | |
| 184 | N | A | -2.6067 | |
| 185 | A | A | -2.2589 | |
| 186 | R | A | -3.0849 | |
| 187 | E | A | -2.9539 | |
| 188 | T | A | -1.6749 | |
| 189 | G | A | -1.1439 | |
| 190 | G | A | -1.0605 | |
| 191 | A | A | -1.2711 | |
| 192 | E | A | -2.1325 | |
| 193 | G | A | -1.4679 | |
| 194 | T | A | -1.2883 | |
| 195 | G | A | -1.6074 | |
| 196 | D | A | -1.6811 | |
| 197 | A | A | 0.4025 | |
| 198 | V | A | 2.0841 | |
| 199 | L | A | 1.7901 | |
| 200 | G | A | -0.2941 | |
| 201 | E | A | -1.4394 | |
| 202 | S | A | -0.0366 | |
| 203 | V | A | 1.6397 | |
| 204 | L | A | 1.1401 | |
| 205 | E | A | -1.6477 | |
| 206 | E | A | -2.3011 | |
| 207 | G | A | -0.6659 | |
| 208 | L | A | 1.5069 | |
| 209 | L | A | 1.5549 | |
| 210 | P | A | -0.0721 | |
| 211 | Q | A | -1.2034 | |
| 212 | E | A | -1.4585 | |
| 213 | C | A | 0.1419 | |
| 214 | V | A | 1.0819 | |
| 215 | S | A | -0.0355 | |
| 216 | E | A | -1.1520 | |
| 217 | V | A | -0.1979 | |
| 218 | E | A | -2.3089 | |
| 219 | K | A | -2.9434 | |
| 220 | S | A | -2.0172 | |
| 221 | E | A | -1.3207 | |
| 222 | F | A | 1.2162 | |
| 223 | P | A | 1.6297 | |
| 224 | I | A | 3.0394 | |
| 225 | L | A | 2.4290 | |
| 226 | A | A | 1.1625 | |
| 227 | P | A | -0.1816 | |
| 228 | G | A | -1.0016 | |
| 229 | G | A | -1.1785 | |
| 230 | G | A | -1.3995 | |
| 231 | G | A | -1.7319 | |
| 232 | G | A | -1.9769 | |
| 233 | E | A | -2.9663 | |
| 234 | K | A | -2.3647 | |
| 235 | V | A | -0.6575 | |
| 236 | R | A | -1.8538 | |
| 237 | S | A | -1.0446 | |
| 238 | G | A | -1.1587 | |
| 239 | P | A | -0.9272 | |
| 240 | P | A | -0.7340 | |
| 241 | Q | A | -0.9148 | |
| 242 | V | A | -0.2481 | |
| 243 | D | A | -1.6104 | |
| 244 | E | A | -1.1875 | |
| 245 | L | A | 0.5129 | |
| 246 | L | A | 0.5159 | |
| 247 | K | A | -1.7118 | |
| 248 | K | A | -3.3681 | |
| 249 | E | A | -3.6213 | |
| 250 | E | A | -1.8958 | |
| 251 | Y | A | 1.0721 | |
| 252 | I | A | 2.9377 | |
| 253 | V | A | 2.3385 | |
| 254 | G | A | 0.5022 | |
| 255 | K | A | -0.8392 | |
| 256 | L | A | 0.4333 | |
| 257 | P | A | 0.1173 | |
| 258 | S | A | 0.2586 | |
| 259 | S | A | 0.9530 | |
| 260 | F | A | 2.6529 | |
| 261 | V | A | 2.4953 | |
| 262 | G | A | 1.0913 | |
| 263 | P | A | 0.5101 | |
| 264 | V | A | 1.0067 | |
| 265 | H | A | -0.6661 | |
| 266 | S | A | -0.7811 | |
| 267 | E | A | -1.0075 | |
| 268 | L | A | 1.2661 | |
| 269 | V | A | 1.0516 | |
| 270 | K | A | -1.9967 | |
| 271 | D | A | -3.4299 | |
| 272 | E | A | -3.4030 | |
| 273 | G | A | -1.3306 | |
| 274 | A | A | 0.5048 | |
| 275 | L | A | 2.3972 | |
| 276 | V | A | 2.3009 | |
| 277 | P | A | 0.7049 | |
| 278 | Q | A | -0.4337 | |
| 279 | V | A | 0.1600 | |
| 280 | K | A | -1.4216 | |
| 281 | G | A | -1.2946 | |
| 282 | S | A | -1.8429 | |
| 283 | Q | A | -2.6229 | |
| 284 | D | A | -3.3455 | |
| 285 | R | A | -2.7383 | |
| 286 | S | A | -0.6823 | |
| 287 | L | A | 0.7377 | |
| 288 | A | A | -0.4409 | |
| 289 | R | A | -2.0826 | |
| 290 | E | A | -2.5099 | |
| 291 | L | A | -1.3238 | |
| 292 | D | A | -2.8192 | |
| 293 | K | A | -3.7610 | |
| 294 | D | A | -3.4742 | |
| 295 | K | A | -3.0940 | |
| 296 | T | A | -1.4099 | |
| 297 | L | A | -0.7468 | |
| 298 | P | A | -1.7594 | |
| 299 | E | A | -3.0735 | |
| 300 | K | A | -3.2196 | |
| 301 | D | A | -3.5152 | |
| 302 | Q | A | -2.6533 | |
| 303 | I | A | -0.8598 | |
| 304 | E | A | -1.5839 | |
| 305 | Q | A | -1.4938 | |
| 306 | T | A | -0.0019 | |
| 307 | A | A | 1.0954 | |
| 308 | F | A | 1.9127 | |
| 309 | Q | A | 1.1765 | |
| 310 | I | A | 3.0248 | |
| 311 | I | A | 3.8896 | |
| 312 | S | A | 2.2688 | |
| 313 | Q | A | 1.7585 | |
| 314 | V | A | 2.9929 | |
| 315 | I | A | 2.7783 | |
| 316 | L | A | 1.3179 | |
| 317 | E | A | -1.1691 | |
| 318 | A | A | -0.3345 | |
| 319 | T | A | -0.6372 | |
| 320 | E | A | -2.5945 | |
| 321 | E | A | -2.3477 | |
| 322 | I | A | -0.1959 | |
| 323 | R | A | -1.9166 | |
| 324 | A | A | -1.0970 | |
| 325 | T | A | -0.6120 | |
| 326 | T | A | -0.3567 | |
| 327 | V | A | 0.9965 | |
| 328 | G | A | -0.4381 | |
| 329 | K | A | -1.0112 | |
| 330 | T | A | 0.0975 | |
| 331 | V | A | 1.4125 | |
| 332 | A | A | 0.4700 | |
| 333 | Q | A | -0.1755 | |
| 334 | V | A | 0.8592 | |
| 335 | H | A | -0.5297 | |
| 336 | P | A | -0.4270 | |
| 337 | T | A | -0.5921 | |
| 338 | P | A | -0.5820 | |
| 339 | G | A | -0.8825 | |
| 340 | T | A | -0.9940 | |
| 341 | Q | A | -1.6770 | |
| 342 | P | A | -1.5281 | |
| 343 | Q | A | -2.0305 | |
| 344 | G | A | -2.1694 | |
| 345 | Q | A | -2.9728 | |
| 346 | E | A | -3.5581 | |
| 347 | E | A | -3.0545 | |
| 348 | S | A | -0.7635 | |
| 349 | C | A | 1.0597 | |
| 350 | V | A | 1.9570 | |
| 351 | P | A | 0.8261 | |
| 352 | A | A | -0.0155 | |
| 353 | S | A | -1.2136 | |
| 354 | Q | A | -2.3284 | |
| 355 | E | A | -2.6097 | |
| 356 | T | A | -0.9775 | |
| 357 | S | A | 0.1597 | |
| 358 | L | A | 0.9752 | |
| 359 | G | A | -0.7993 | |
| 360 | Q | A | -1.6453 | |
| 361 | E | A | -1.5650 | |
| 362 | I | A | 0.2876 | |
| 363 | P | A | -0.4512 | |
| 364 | D | A | -1.6209 | |
| 365 | P | A | -1.2809 | |
| 366 | A | A | -0.5536 | |
| 367 | S | A | -0.6288 | |
| 368 | T | A | -1.0852 | |
| 369 | R | A | -2.0462 | |
| 370 | T | A | -1.1746 | |
| 371 | G | A | -0.8495 | |
| 372 | A | A | -0.2051 | |
| 373 | T | A | -0.1493 | |
| 374 | A | A | -0.1223 | |
| 375 | S | A | -0.3868 | |
| 376 | P | A | -0.4521 | |
| 377 | S | A | -0.4641 | |
| 378 | A | A | -0.3465 | |
| 379 | G | A | -0.5071 | |
| 380 | A | A | -0.3808 | |
| 381 | P | A | -0.6699 | |
| 382 | P | A | -0.8725 | |
| 383 | P | A | -1.1170 | |
| 384 | K | A | -1.3633 | |
| 385 | T | A | 0.1176 | |
| 386 | Y | A | 1.7110 | |
| 387 | V | A | 2.3984 | |
| 388 | S | A | 1.6341 | |
| 389 | C | A | 1.9171 | |
| 390 | L | A | 1.8833 | |
| 391 | S | A | 0.5326 | |
| 392 | S | A | 0.3216 | |
| 393 | P | A | 0.2913 | |
| 394 | L | A | 1.1706 | |
| 395 | S | A | 0.1845 | |
| 396 | G | A | -0.5615 | |
| 397 | P | A | -0.9381 | |
| 398 | T | A | -1.6997 | |
| 399 | K | A | -2.9652 | |
| 400 | D | A | -3.6898 | |
| 401 | Q | A | -3.5205 | |
| 402 | K | A | -3.2000 | |
| 403 | P | A | -2.3957 | |
| 404 | K | A | -2.8022 | |
| 405 | N | A | -2.2546 | |
| 406 | S | A | -1.5450 | |
| 407 | A | A | -1.1016 | |
| 408 | H | A | -1.0780 | |
| 409 | H | A | -0.5514 | |
| 410 | I | A | 1.5626 | |
| 411 | S | A | 1.2861 | |
| 412 | L | A | 1.9216 | |
| 413 | A | A | 0.7836 | |
| 414 | P | A | 0.3843 | |
| 415 | C | A | 0.5780 | |
| 416 | P | A | 0.0683 | |
| 417 | P | A | 0.0596 | |
| 418 | P | A | 0.4799 | |
| 419 | V | A | 1.4695 | |
| 420 | T | A | 0.3166 | |
| 421 | P | A | -0.9941 | |
| 422 | Q | A | -2.4759 | |
| 423 | R | A | -3.1531 | |
| 424 | Q | A | -2.2246 | |
| 425 | S | A | -0.8841 | |
| 426 | L | A | 0.2204 | |
| 427 | D | A | -1.2974 | |
| 428 | G | A | -1.0028 | |
| 429 | A | A | -0.9761 | |
| 430 | S | A | -0.9971 | |
| 431 | N | A | -1.9042 | |
| 432 | P | A | -1.9971 | |
| 433 | R | A | -3.0774 | |
| 434 | G | A | -2.8243 | |
| 435 | D | A | -3.3644 | |
| 436 | D | A | -2.5358 | |
| 437 | T | A | -0.0480 | |
| 438 | F | A | 2.3444 | |
| 439 | V | A | 2.8199 | |
| 440 | T | A | 1.5460 | |
| 441 | C | A | 1.0233 | |
| 442 | T | A | -0.1235 | |
| 443 | S | A | -1.0719 | |
| 444 | N | A | -2.2904 | |
| 445 | N | A | -2.4022 | |
| 446 | S | A | -1.8730 | |
| 447 | Q | A | -1.4281 | |
| 448 | S | A | 0.1894 | |
| 449 | V | A | 2.1174 | |
| 450 | L | A | 2.6470 | |
| 451 | S | A | 1.8420 | |
| 452 | V | A | 1.9328 | |
| 453 | T | A | 0.9503 | |
| 454 | S | A | 0.7482 | |
| 455 | L | A | 1.5357 | |
| 456 | G | A | 1.1201 | |
| 457 | L | A | 1.9633 | |
| 458 | C | A | 0.9129 | |
| 459 | S | A | -0.4364 | |
| 460 | D | A | -1.5317 | |
| 461 | P | A | -0.5125 | |
| 462 | V | A | 1.1470 | |
| 463 | S | A | 0.3883 | |
| 464 | T | A | -0.2706 | |
| 465 | S | A | -0.9972 | |
| 466 | R | A | -1.6375 | |
| 467 | L | A | -0.7832 | |
| 468 | E | A | -2.3757 | |
| 469 | D | A | -2.3882 | |
| 470 | S | A | -1.0372 | |
| 471 | C | A | -0.3737 | |
| 472 | T | A | -0.7486 | |
| 473 | E | A | -1.2917 | |
| 474 | T | A | -0.0022 | |
| 475 | I | A | 1.4306 | |
| 476 | S | A | 0.5751 | |
| 477 | S | A | -0.1319 | |
| 478 | S | A | -0.9564 | |
| 479 | G | A | -1.7970 | |
| 480 | D | A | -2.8496 | |
| 481 | K | A | -2.2600 | |
| 482 | A | A | -0.3061 | |
| 483 | V | A | 1.3789 | |
| 484 | T | A | 0.6071 | |
| 485 | P | A | 0.2824 | |
| 486 | P | A | 0.2759 | |
| 487 | L | A | 0.8048 | |
| 488 | P | A | -0.3550 | |
| 489 | D | A | -1.7071 | |
| 490 | S | A | -1.5292 | |
| 491 | T | A | -1.2818 | |
| 492 | E | A | -1.6555 | |
| 493 | P | A | -0.2819 | |
| 494 | F | A | 0.9879 | |
| 495 | S | A | -0.2352 | |
| 496 | N | A | -0.5826 | |
| 497 | G | A | 0.2095 | |
| 498 | V | A | 1.5912 | |
| 499 | L | A | 0.9348 | |
| 500 | K | A | -1.8965 | |
| 501 | E | A | -2.8742 | |
| 502 | E | A | -2.6208 | |
| 503 | L | A | -0.2224 | |
| 504 | S | A | -0.5702 | |
| 505 | D | A | -1.1140 | |
| 506 | L | A | 0.3910 | |
| 507 | G | A | -0.5951 | |
| 508 | T | A | -1.1986 | |
| 509 | E | A | -2.9239 | |
| 510 | D | A | -2.6848 | |
| 511 | G | A | -1.3061 | |
| 512 | W | A | 0.5360 | |
| 513 | T | A | 0.2825 | |
| 514 | M | A | 0.3840 | |
| 515 | D | A | -1.5295 | |
| 516 | T | A | -1.5648 | |
| 517 | E | A | -2.5945 | |
| 518 | A | A | -1.9498 | |
| 519 | D | A | -2.7451 | |
| 520 | H | A | -2.0866 | |
| 521 | S | A | -1.4469 | |
| 522 | G | A | -1.0470 | |
| 523 | G | A | -1.3087 | |
| 524 | S | A | -1.5248 | |
| 525 | D | A | -2.5143 | |
| 526 | G | A | -2.0940 | |
| 527 | N | A | -1.7755 | |
| 528 | S | A | -0.8326 | |
| 529 | M | A | -0.2463 | |
| 530 | D | A | -1.0348 | |
| 531 | S | A | -0.4812 | |
| 532 | V | A | 0.3637 | |
| 533 | D | A | -0.9179 | |
| 534 | S | A | -0.3202 | |
| 535 | C | A | 0.4586 | |
| 536 | C | A | 1.1967 | |
| 537 | G | A | 0.7592 | |
| 538 | L | A | 1.0524 | |
| 539 | T | A | -0.2968 | |
| 540 | K | A | -1.8664 | |
| 541 | P | A | -1.8762 | |
| 542 | D | A | -2.4198 | |
| 543 | S | A | -1.5377 | |
| 544 | P | A | -1.3917 | |
| 545 | Q | A | -1.1869 | |
| 546 | T | A | -0.1214 | |
| 547 | V | A | 0.8986 | |
| 548 | Q | A | -0.5889 | |
| 549 | A | A | -0.6461 | |
| 550 | G | A | -0.9405 | |
| 551 | S | A | -1.4313 | |
| 552 | N | A | -2.2138 | |
| 553 | P | A | -1.9308 | |
| 554 | K | A | -2.7063 | |
| 555 | K | A | -2.1623 | |
| 556 | V | A | -0.0798 | |
| 557 | D | A | -0.8054 | |
| 558 | L | A | 1.0638 | |
| 559 | I | A | 0.9681 | |
| 560 | I | A | 1.0066 | |
| 561 | W | A | 0.8319 | |
| 562 | E | A | 0.4164 | |
| 563 | I | A | 0.0000 | |
| 564 | E | A | -1.1152 | |
| 565 | V | A | 0.0000 | |
| 566 | P | A | -1.9761 | |
| 567 | K | A | -3.0829 | |
| 568 | H | A | -2.3181 | |
| 569 | L | A | 0.0000 | |
| 570 | V | A | -1.3465 | |
| 571 | G | A | -2.0591 | |
| 572 | R | A | -2.8185 | |
| 573 | L | A | 0.0000 | |
| 574 | I | A | -0.7687 | |
| 575 | G | A | -2.1580 | |
| 576 | K | A | -3.1090 | |
| 577 | Q | A | -2.5862 | |
| 578 | G | A | -1.9308 | |
| 579 | R | A | -2.4564 | |
| 580 | Y | A | -1.2742 | |
| 581 | V | A | -0.8004 | |
| 582 | S | A | -0.9310 | |
| 583 | F | A | 0.0232 | |
| 584 | L | A | 0.0000 | |
| 585 | K | A | -1.8360 | |
| 586 | Q | A | -1.6080 | |
| 587 | T | A | -0.8707 | |
| 588 | S | A | 0.0000 | |
| 589 | G | A | -1.8508 | |
| 590 | A | A | 0.0000 | |
| 591 | K | A | -2.1412 | |
| 592 | I | A | 0.0000 | |
| 593 | Y | A | 0.3266 | |
| 594 | I | A | 0.6012 | |
| 595 | S | A | 0.1730 | |
| 596 | T | A | -0.4487 | |
| 597 | L | A | -0.1490 | |
| 598 | P | A | -0.1392 | |
| 599 | Y | A | 0.0034 | |
| 600 | T | A | -0.6964 | |
| 601 | Q | A | -2.0746 | |
| 602 | N | A | -2.3796 | |
| 603 | I | A | -1.5791 | |
| 604 | Q | A | -1.1052 | |
| 605 | I | A | 0.0000 | |
| 606 | C | A | 0.0000 | |
| 607 | H | A | -0.1313 | |
| 608 | I | A | 0.0000 | |
| 609 | E | A | -0.3090 | |
| 610 | G | A | -0.4731 | |
| 611 | S | A | -0.6077 | |
| 612 | Q | A | -1.5903 | |
| 613 | H | A | -2.2736 | |
| 614 | H | A | -2.2909 | |
| 615 | V | A | 0.0000 | |
| 616 | D | A | -2.3620 | |
| 617 | K | A | -2.5650 | |
| 618 | A | A | 0.0000 | |
| 619 | L | A | 0.0000 | |
| 620 | N | A | -2.3907 | |
| 621 | L | A | -1.4856 | |
| 622 | I | A | 0.0000 | |
| 623 | G | A | -2.6306 | |
| 624 | K | A | -3.0221 | |
| 625 | K | A | -3.1491 | |
| 626 | F | A | 0.0000 | |
| 627 | K | A | -3.5038 | |
| 628 | E | A | -3.0887 | |
| 629 | L | A | 0.0000 | |
| 630 | N | A | -1.9805 | |
| 631 | L | A | -1.0081 | |
| 632 | T | A | -0.1671 | |
| 633 | N | A | 0.3909 | |
| 634 | I | A | 0.8177 | |
| 635 | Y | A | 1.5636 | |
| 636 | A | A | 0.7807 | |
| 637 | P | A | 0.4097 | |
| 638 | P | A | 0.7988 | |
| 639 | L | A | 1.5088 | |
| 640 | P | A | 0.7527 | |
| 641 | S | A | 0.9338 | |
| 642 | L | A | 1.7154 | |
| 643 | A | A | 1.0664 | |
| 644 | L | A | 0.6731 | |
| 645 | P | A | 0.2211 | |
| 646 | S | A | 0.3078 | |
| 647 | L | A | 0.9857 | |
| 648 | P | A | 0.7454 | |
| 649 | M | A | 0.7886 | |
| 650 | T | A | 0.5542 | |
| 651 | S | A | 0.0000 | |
| 652 | W | A | 0.6682 | |
| 653 | L | A | 0.0000 | |
| 654 | M | A | 0.4925 | |
| 655 | L | A | 0.0000 | |
| 656 | P | A | 0.0000 | |
| 657 | D | A | -0.5300 | |
| 658 | G | A | -0.0329 | |
| 659 | I | A | 1.4942 | |
| 660 | T | A | 0.5093 | |
| 661 | V | A | 0.0644 | |
| 662 | E | A | -0.9379 | |
| 663 | V | A | 0.0000 | |
| 664 | I | A | 0.0071 | |
| 665 | V | A | 0.0859 | |
| 666 | V | A | 0.0778 | |
| 667 | N | A | -0.1548 | |
| 668 | Q | A | -0.1745 | |
| 669 | V | A | 0.6542 | |
| 670 | N | A | -0.2998 | |
| 671 | A | A | 0.0000 | |
| 672 | G | A | 0.0000 | |
| 673 | H | A | 0.0755 | |
| 674 | L | A | 0.0000 | |
| 675 | F | A | 0.0000 | |
| 676 | V | A | 0.0000 | |
| 677 | Q | A | 0.0000 | |
| 678 | Q | A | 0.0000 | |
| 679 | H | A | -0.5129 | |
| 680 | T | A | -0.5881 | |
| 681 | H | A | -0.5769 | |
| 682 | P | A | -0.5040 | |
| 683 | T | A | -0.4868 | |
| 684 | F | A | -0.5958 | |
| 685 | H | A | -1.4557 | |
| 686 | A | A | -1.0242 | |
| 687 | L | A | 0.0000 | |
| 688 | R | A | -2.5594 | |
| 689 | S | A | -1.8554 | |
| 690 | L | A | 0.0000 | |
| 691 | D | A | -1.0971 | |
| 692 | Q | A | -1.2519 | |
| 693 | Q | A | -1.0871 | |
| 694 | M | A | 0.0000 | |
| 695 | Y | A | 0.6615 | |
| 696 | L | A | 0.8643 | |
| 697 | C | A | 0.0703 | |
| 698 | Y | A | 0.0000 | |
| 699 | S | A | -0.2386 | |
| 700 | Q | A | -1.0461 | |
| 701 | P | A | -1.0263 | |
| 702 | G | A | -0.7926 | |
| 703 | I | A | -0.5296 | |
| 704 | P | A | -0.7388 | |
| 705 | T | A | -0.8352 | |
| 706 | L | A | 0.0000 | |
| 707 | P | A | -0.9357 | |
| 708 | T | A | -0.8945 | |
| 709 | P | A | -1.0895 | |
| 710 | V | A | -1.1091 | |
| 711 | E | A | -1.3000 | |
| 712 | I | A | -0.0627 | |
| 713 | T | A | 0.2405 | |
| 714 | V | A | 0.2538 | |
| 715 | I | A | 0.0955 | |
| 716 | C | A | 0.0000 | |
| 717 | A | A | 0.0000 | |
| 718 | A | A | 0.0000 | |
| 719 | P | A | -0.1521 | |
| 720 | G | A | -0.4888 | |
| 721 | A | A | -0.9514 | |
| 722 | D | A | -1.9974 | |
| 723 | G | A | -1.1658 | |
| 724 | A | A | -0.4242 | |
| 725 | W | A | -0.0039 | |
| 726 | W | A | 0.1471 | |
| 727 | R | A | 0.0000 | |
| 728 | A | A | 0.0000 | |
| 729 | Q | A | 0.2584 | |
| 730 | V | A | 0.0000 | |
| 731 | V | A | 0.1717 | |
| 732 | A | A | -0.4497 | |
| 733 | S | A | -1.5692 | |
| 734 | Y | A | -2.1454 | |
| 735 | E | A | -3.1855 | |
| 736 | E | A | -3.0816 | |
| 737 | T | A | -2.3768 | |
| 738 | N | A | -3.2578 | |
| 739 | E | A | -2.9864 | |
| 740 | V | A | 0.0000 | |
| 741 | E | A | -1.2423 | |
| 742 | I | A | 0.0000 | |
| 743 | R | A | -0.3209 | |
| 744 | Y | A | 0.0000 | |
| 745 | V | A | 0.0000 | |
| 746 | D | A | 0.0000 | |
| 747 | Y | A | 0.1823 | |
| 748 | G | A | 0.0000 | |
| 749 | G | A | 0.0000 | |
| 750 | Y | A | -0.0908 | |
| 751 | K | A | -1.5039 | |
| 752 | R | A | -2.5476 | |
| 753 | V | A | 0.0000 | |
| 754 | K | A | -2.5333 | |
| 755 | V | A | 0.0000 | |
| 756 | D | A | -2.2074 | |
| 757 | V | A | -0.6080 | |
| 758 | L | A | 0.0000 | |
| 759 | R | A | -0.8649 | |
| 760 | Q | A | -0.9715 | |
| 761 | I | A | -0.7513 | |
| 762 | R | A | -1.6769 | |
| 763 | S | A | -1.3211 | |
| 764 | D | A | -1.5727 | |
| 765 | F | A | 0.0000 | |
| 766 | V | A | -0.2037 | |
| 767 | T | A | -0.4007 | |
| 768 | L | A | 0.1353 | |
| 769 | P | A | 0.3685 | |
| 770 | F | A | 0.0000 | |
| 771 | Q | A | 0.0000 | |
| 772 | G | A | 0.0000 | |
| 773 | A | A | 0.1929 | |
| 774 | E | A | -0.0894 | |
| 775 | V | A | 0.0000 | |
| 776 | L | A | 0.4084 | |
| 777 | L | A | 0.0000 | |
| 778 | D | A | 0.0000 | |
| 779 | S | A | -0.1677 | |
| 780 | V | A | 0.0000 | |
| 781 | V | A | 0.5924 | |
| 782 | P | A | -0.4462 | |
| 783 | L | A | 0.2647 | |
| 784 | S | A | -1.5872 | |
| 785 | D | A | -3.0713 | |
| 786 | D | A | -3.5873 | |
| 787 | D | A | -3.2643 | |
| 788 | H | A | -2.3570 | |
| 789 | F | A | -1.0075 | |
| 790 | S | A | -1.0611 | |
| 791 | P | A | -1.4394 | |
| 792 | E | A | -2.1221 | |
| 793 | A | A | 0.0000 | |
| 794 | D | A | -1.3855 | |
| 795 | A | A | -1.4631 | |
| 796 | A | A | 0.0000 | |
| 797 | M | A | 0.0000 | |
| 798 | S | A | -1.6903 | |
| 799 | E | A | -2.1523 | |
| 800 | M | A | -0.9576 | |
| 801 | T | A | 0.0000 | |
| 802 | G | A | -1.4658 | |
| 803 | N | A | -1.5175 | |
| 804 | T | A | -0.4313 | |
| 805 | A | A | -0.1689 | |
| 806 | L | A | 0.0000 | |
| 807 | L | A | 0.6960 | |
| 808 | A | A | 0.0000 | |
| 809 | Q | A | -0.0841 | |
| 810 | V | A | 0.0000 | |
| 811 | T | A | -0.0700 | |
| 812 | S | A | 0.0403 | |
| 813 | Y | A | 0.7226 | |
| 814 | S | A | 0.3891 | |
| 815 | A | A | 0.1029 | |
| 816 | T | A | -0.0492 | |
| 817 | G | A | -0.0789 | |
| 818 | L | A | 0.3631 | |
| 819 | P | A | 0.0000 | |
| 820 | L | A | 0.4878 | |
| 821 | I | A | 0.0000 | |
| 822 | Q | A | -0.3368 | |
| 823 | L | A | 0.0000 | |
| 824 | W | A | 0.8576 | |
| 825 | S | A | 0.0000 | |
| 826 | V | A | 1.7285 | |
| 827 | V | A | 1.3321 | |
| 828 | G | A | -0.5532 | |
| 829 | D | A | -1.7967 | |
| 830 | E | A | -0.9927 | |
| 831 | V | A | 1.5733 | |
| 832 | V | A | 1.1503 | |
| 833 | L | A | 0.2913 | |
| 834 | I | A | 0.0000 | |
| 835 | N | A | 0.0000 | |
| 836 | R | A | -2.4636 | |
| 837 | S | A | -1.8712 | |
| 838 | L | A | 0.0000 | |
| 839 | V | A | -1.8646 | |
| 840 | E | A | -3.2713 | |
| 841 | R | A | -3.0909 | |
| 842 | G | A | -2.1375 | |
| 843 | L | A | 0.0000 | |
| 844 | A | A | 0.0000 | |
| 845 | Q | A | -0.5540 | |
| 846 | W | A | -0.2625 | |
| 847 | V | A | 0.5115 | |
| 848 | D | A | -0.2515 | |
| 849 | S | A | 0.3033 | |
| 850 | C | A | 1.2465 | |
| 851 | Y | A | 1.8688 | |
| 852 | A | A | 1.0997 | |
| 853 | S | A | 1.1203 | |
| 854 | L | A | 1.9619 |
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 | 0.1163 | 8.3256 | View | CSV | PDB |
| 4.5 | 0.0327 | 8.3256 | View | CSV | PDB |
| 5.0 | -0.0731 | 8.3256 | View | CSV | PDB |
| 5.5 | -0.1821 | 8.3256 | View | CSV | PDB |
| 6.0 | -0.2751 | 8.3256 | View | CSV | PDB |
| 6.5 | -0.3393 | 8.3256 | View | CSV | PDB |
| 7.0 | -0.3731 | 8.3256 | View | CSV | PDB |
| 7.5 | -0.3852 | 8.3256 | View | CSV | PDB |
| 8.0 | -0.3851 | 8.3256 | View | CSV | PDB |
| 8.5 | -0.3758 | 8.3256 | View | CSV | PDB |
| 9.0 | -0.3556 | 8.3256 | 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