| Chain sequence(s) | MNQPDLADDPDPSPEPLCIVCGQNHSPEENHFYTYTEDVDDDLICHICLQALLDPLDTPCGHTYCTLCLTNFLVEKDFCPVDRKPVVLQHCKKSSILVNKLLNKLLVTCPFTEHCTEVLQRCDLQHHFQTSCKGASHYGLTKDRKRRSQDGCPDGCASLMATTLSPEVSAAATISLMTDEPGLDNPAYVSSVEDGEPVANSSDSGRSNRTRARPFERSTMRSRSFKKINRALSALRRTKSGSVVANHVDQGRDNSENTTVPEVFPRLFHLIPDGEITSIKINRADPSESLSIRLVGGSETPLVHIIIQHIYRDGVIARDGRLLPGDIILKVNGMDISNVPHNYAVRLLRQPCQVLRLTVLREQKFRSRSNAHVPDSYGPRDDSFHVILNKSSPEEQLGIKLVRRVDEPGVFIFNVLNGGVADRHGQLEENDRVLAINGHDLRFGSPESAAHLIQASERRVHLVVSRQVRQSSPDIFQEAGWISNGQQSPGPGERNTASKPAATCHEKVVSVWKDPSESLGMTVGGGASHREWDLPIYVISVEPGGVISRDGRIKTGDILLNVNGIELTEVSRTEAVAILKSAPSSVVLKALEVKEQEAQEDCSPAALDSNHNVTPPGDWSPSWVMWLELPQYLCNCKDVILRRNTAGSLGFCIVGGYEEYSGNKPFFIKSIVEGTPAYNDGRIRCGDILLAVNGRSTSGMIHACLARMLKELKGRITLTIASWPGTFL 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] (00:00:01)
[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 partially or entirely disordered. Average score is
recommended for pH analysis. (00:00:05)
[INFO] FoldX: Starting FoldX energy minimization (00:00:05)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:25:04)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/1fd66ba349c87a/tmp/folded.pdb (00:25:04)
[INFO] Main: Simulation completed successfully. (00:38:19)
|
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 | -0.0147 | |
| 2 | N | A | -1.4932 | |
| 3 | Q | A | -1.9177 | |
| 4 | P | A | -1.5410 | |
| 5 | D | A | -1.7808 | |
| 6 | L | A | -0.1748 | |
| 7 | A | A | -1.0493 | |
| 8 | D | A | -2.7696 | |
| 9 | D | A | -3.0403 | |
| 10 | P | A | -2.5415 | |
| 11 | D | A | -2.8187 | |
| 12 | P | A | -1.8918 | |
| 13 | S | A | -1.4787 | |
| 14 | P | A | -1.6564 | |
| 15 | E | A | -2.3140 | |
| 16 | P | A | -1.0075 | |
| 17 | L | A | -0.0950 | |
| 18 | C | A | 0.5645 | |
| 19 | I | A | 1.6210 | |
| 20 | V | A | 0.8629 | |
| 21 | C | A | 0.0000 | |
| 22 | G | A | 0.0000 | |
| 23 | Q | A | -0.4063 | |
| 24 | N | A | -1.3245 | |
| 25 | H | A | -1.5631 | |
| 26 | S | A | -1.8295 | |
| 27 | P | A | -1.7924 | |
| 28 | E | A | -2.8479 | |
| 29 | E | A | -2.5146 | |
| 30 | N | A | -1.3003 | |
| 31 | H | A | -0.3850 | |
| 32 | F | A | 0.4934 | |
| 33 | Y | A | 0.5046 | |
| 34 | T | A | 0.2820 | |
| 35 | Y | A | -0.2578 | |
| 36 | T | A | -0.5912 | |
| 37 | E | A | -2.2914 | |
| 38 | D | A | -2.9817 | |
| 39 | V | A | -2.5365 | |
| 40 | D | A | -3.5300 | |
| 41 | D | A | -3.8949 | |
| 42 | D | A | -3.0668 | |
| 43 | L | A | -1.6706 | |
| 44 | I | A | -1.3150 | |
| 45 | C | A | 0.0000 | |
| 46 | H | A | -0.5101 | |
| 47 | I | A | 0.4612 | |
| 48 | C | A | 0.2092 | |
| 49 | L | A | -0.3253 | |
| 50 | Q | A | -0.4658 | |
| 51 | A | A | 0.0000 | |
| 52 | L | A | 0.0000 | |
| 53 | L | A | -0.7557 | |
| 54 | D | A | -1.9799 | |
| 55 | P | A | 0.0000 | |
| 56 | L | A | -1.6717 | |
| 57 | D | A | -1.7531 | |
| 58 | T | A | 0.0000 | |
| 59 | P | A | -0.8720 | |
| 60 | C | A | -0.7753 | |
| 61 | G | A | -0.7499 | |
| 62 | H | A | -0.8746 | |
| 63 | T | A | -0.9132 | |
| 64 | Y | A | 0.0000 | |
| 65 | C | A | 0.0000 | |
| 66 | T | A | -0.9289 | |
| 67 | L | A | -0.7945 | |
| 68 | C | A | 0.0000 | |
| 69 | L | A | 0.0000 | |
| 70 | T | A | 0.1466 | |
| 71 | N | A | -1.1164 | |
| 72 | F | A | -0.4448 | |
| 73 | L | A | -0.0921 | |
| 74 | V | A | 0.3786 | |
| 75 | E | A | -1.7895 | |
| 76 | K | A | -1.8933 | |
| 77 | D | A | -1.7748 | |
| 78 | F | A | -1.1890 | |
| 79 | C | A | 0.0000 | |
| 80 | P | A | 0.0000 | |
| 81 | V | A | -0.6108 | |
| 82 | D | A | -1.4038 | |
| 83 | R | A | -1.9206 | |
| 84 | K | A | -2.0588 | |
| 85 | P | A | -1.1624 | |
| 86 | V | A | 0.0000 | |
| 87 | V | A | 1.0453 | |
| 88 | L | A | 0.2385 | |
| 89 | Q | A | -1.1393 | |
| 90 | H | A | -1.3827 | |
| 91 | C | A | -1.6378 | |
| 92 | K | A | -3.0290 | |
| 93 | K | A | -2.6525 | |
| 94 | S | A | 0.0000 | |
| 95 | S | A | 0.5395 | |
| 96 | I | A | 2.1844 | |
| 97 | L | A | 2.1439 | |
| 98 | V | A | 0.8623 | |
| 99 | N | A | -0.1423 | |
| 100 | K | A | -0.5943 | |
| 101 | L | A | -0.1851 | |
| 102 | L | A | 0.0000 | |
| 103 | N | A | -1.6440 | |
| 104 | K | A | -2.3089 | |
| 105 | L | A | -1.4341 | |
| 106 | L | A | -0.4922 | |
| 107 | V | A | 0.0000 | |
| 108 | T | A | 0.1283 | |
| 109 | C | A | 0.0000 | |
| 110 | P | A | -0.5457 | |
| 111 | F | A | 0.0000 | |
| 112 | T | A | -1.3508 | |
| 113 | E | A | -2.2115 | |
| 114 | H | A | -2.0968 | |
| 115 | C | A | -1.4628 | |
| 116 | T | A | -1.1418 | |
| 117 | E | A | -1.1312 | |
| 118 | V | A | 0.5275 | |
| 119 | L | A | 0.0000 | |
| 120 | Q | A | -1.1820 | |
| 121 | R | A | 0.0000 | |
| 122 | C | A | -1.2245 | |
| 123 | D | A | -1.8663 | |
| 124 | L | A | 0.0000 | |
| 125 | Q | A | -0.8355 | |
| 126 | H | A | -1.5185 | |
| 127 | H | A | 0.0000 | |
| 128 | F | A | 0.0000 | |
| 129 | Q | A | -1.4686 | |
| 130 | T | A | -1.0578 | |
| 131 | S | A | -1.0559 | |
| 132 | C | A | 0.0000 | |
| 133 | K | A | -2.2872 | |
| 134 | G | A | 0.0000 | |
| 135 | A | A | 0.0000 | |
| 136 | S | A | -1.7434 | |
| 137 | H | A | -1.3505 | |
| 138 | Y | A | -0.1848 | |
| 139 | G | A | -0.8042 | |
| 140 | L | A | 0.0000 | |
| 141 | T | A | -1.9756 | |
| 142 | K | A | -3.4553 | |
| 143 | D | A | -4.3752 | |
| 144 | R | A | -4.7103 | |
| 145 | K | A | -4.6591 | |
| 146 | R | A | -4.5251 | |
| 147 | R | A | -3.9675 | |
| 148 | S | A | -2.8017 | |
| 149 | Q | A | -2.9419 | |
| 150 | D | A | -2.7144 | |
| 151 | G | A | -1.3203 | |
| 152 | C | A | -0.3310 | |
| 153 | P | A | -0.9523 | |
| 154 | D | A | -1.8252 | |
| 155 | G | A | -1.0172 | |
| 156 | C | A | 0.0894 | |
| 157 | A | A | 0.6296 | |
| 158 | S | A | 0.9660 | |
| 159 | L | A | 2.0356 | |
| 160 | M | A | 1.8578 | |
| 161 | A | A | 0.8921 | |
| 162 | T | A | 0.7064 | |
| 163 | T | A | 0.6842 | |
| 164 | L | A | 1.3286 | |
| 165 | S | A | -0.0109 | |
| 166 | P | A | -0.4600 | |
| 167 | E | A | -1.1827 | |
| 168 | V | A | 0.7443 | |
| 169 | S | A | 0.2820 | |
| 170 | A | A | 0.3759 | |
| 171 | A | A | 0.2631 | |
| 172 | A | A | 0.5324 | |
| 173 | T | A | 0.8931 | |
| 174 | I | A | 2.2029 | |
| 175 | S | A | 1.7530 | |
| 176 | L | A | 2.3941 | |
| 177 | M | A | 1.4294 | |
| 178 | T | A | -0.4026 | |
| 179 | D | A | -2.5375 | |
| 180 | E | A | -2.9515 | |
| 181 | P | A | -1.6343 | |
| 182 | G | A | -0.6196 | |
| 183 | L | A | 0.1462 | |
| 184 | D | A | -1.8029 | |
| 185 | N | A | -1.9462 | |
| 186 | P | A | -1.0038 | |
| 187 | A | A | 0.7593 | |
| 188 | Y | A | 2.0759 | |
| 189 | V | A | 2.2577 | |
| 190 | S | A | 1.2573 | |
| 191 | S | A | 0.6733 | |
| 192 | V | A | 0.2666 | |
| 193 | E | A | -1.9345 | |
| 194 | D | A | -2.9440 | |
| 195 | G | A | -2.5301 | |
| 196 | E | A | -2.1718 | |
| 197 | P | A | -0.6771 | |
| 198 | V | A | 1.0318 | |
| 199 | A | A | 0.1617 | |
| 200 | N | A | -1.0585 | |
| 201 | S | A | -1.3767 | |
| 202 | S | A | -1.5825 | |
| 203 | D | A | -2.1473 | |
| 204 | S | A | -1.8078 | |
| 205 | G | A | -1.9596 | |
| 206 | R | A | -2.5194 | |
| 207 | S | A | -2.3798 | |
| 208 | N | A | -2.9563 | |
| 209 | R | A | -3.0523 | |
| 210 | T | A | -2.1745 | |
| 211 | R | A | -2.8420 | |
| 212 | A | A | -1.8757 | |
| 213 | R | A | -1.9764 | |
| 214 | P | A | -0.5832 | |
| 215 | F | A | 0.2090 | |
| 216 | E | A | -1.8862 | |
| 217 | R | A | -2.3744 | |
| 218 | S | A | -1.5729 | |
| 219 | T | A | -0.8749 | |
| 220 | M | A | -0.3931 | |
| 221 | R | A | -1.7768 | |
| 222 | S | A | -1.5695 | |
| 223 | R | A | -2.4769 | |
| 224 | S | A | -1.5142 | |
| 225 | F | A | -0.3245 | |
| 226 | K | A | -2.4571 | |
| 227 | K | A | -2.4690 | |
| 228 | I | A | -0.4353 | |
| 229 | N | A | -1.3131 | |
| 230 | R | A | -2.1945 | |
| 231 | A | A | -0.7116 | |
| 232 | L | A | -0.3515 | |
| 233 | S | A | -1.1381 | |
| 234 | A | A | -0.7002 | |
| 235 | L | A | -0.2011 | |
| 236 | R | A | -2.2383 | |
| 237 | R | A | -2.7365 | |
| 238 | T | A | -2.0497 | |
| 239 | K | A | -2.6393 | |
| 240 | S | A | -1.8614 | |
| 241 | G | A | -0.7417 | |
| 242 | S | A | 0.8041 | |
| 243 | V | A | 2.4756 | |
| 244 | V | A | 2.3800 | |
| 245 | A | A | 0.4486 | |
| 246 | N | A | -0.9721 | |
| 247 | H | A | -1.2135 | |
| 248 | V | A | -0.2506 | |
| 249 | D | A | -1.7410 | |
| 250 | Q | A | -2.4629 | |
| 251 | G | A | -2.7737 | |
| 252 | R | A | -3.5184 | |
| 253 | D | A | -3.6380 | |
| 254 | N | A | -3.3479 | |
| 255 | S | A | -2.6911 | |
| 256 | E | A | -3.0904 | |
| 257 | N | A | -2.2333 | |
| 258 | T | A | -0.8658 | |
| 259 | T | A | -0.2099 | |
| 260 | V | A | 1.1993 | |
| 261 | P | A | 0.2676 | |
| 262 | E | A | -0.7065 | |
| 263 | V | A | 0.9651 | |
| 264 | F | A | -0.3014 | |
| 265 | P | A | -0.5577 | |
| 266 | R | A | -1.5683 | |
| 267 | L | A | -0.8865 | |
| 268 | F | A | -0.4164 | |
| 269 | H | A | -1.5689 | |
| 270 | L | A | 0.0000 | |
| 271 | I | A | 0.0000 | |
| 272 | P | A | -1.2724 | |
| 273 | D | A | -1.7236 | |
| 274 | G | A | -1.4510 | |
| 275 | E | A | -1.1394 | |
| 276 | I | A | -0.4295 | |
| 277 | T | A | 0.0000 | |
| 278 | S | A | -0.6687 | |
| 279 | I | A | 0.0000 | |
| 280 | K | A | -1.7016 | |
| 281 | I | A | 0.0000 | |
| 282 | N | A | -2.0936 | |
| 283 | R | A | 0.0000 | |
| 284 | A | A | -1.3392 | |
| 285 | D | A | -2.2710 | |
| 286 | P | A | -1.9947 | |
| 287 | S | A | -1.5994 | |
| 288 | E | A | -1.4363 | |
| 289 | S | A | -0.6923 | |
| 290 | L | A | 0.0000 | |
| 291 | S | A | -0.5494 | |
| 292 | I | A | 0.0000 | |
| 293 | R | A | -0.0568 | |
| 294 | L | A | 0.0000 | |
| 295 | V | A | 0.0000 | |
| 296 | G | A | 0.0000 | |
| 297 | G | A | 0.0000 | |
| 298 | S | A | -0.8850 | |
| 299 | E | A | -1.4503 | |
| 300 | T | A | 0.0000 | |
| 301 | P | A | -0.1955 | |
| 302 | L | A | 0.0000 | |
| 303 | V | A | -0.0903 | |
| 304 | H | A | -0.4458 | |
| 305 | I | A | 0.0000 | |
| 306 | I | A | 0.0000 | |
| 307 | I | A | 0.0000 | |
| 308 | Q | A | 0.0000 | |
| 309 | H | A | -0.4464 | |
| 310 | I | A | -0.4443 | |
| 311 | Y | A | -1.1044 | |
| 312 | R | A | -2.6318 | |
| 313 | D | A | -2.9393 | |
| 314 | G | A | -1.6835 | |
| 315 | V | A | 0.0000 | |
| 316 | I | A | 0.0000 | |
| 317 | A | A | -1.4610 | |
| 318 | R | A | -1.6875 | |
| 319 | D | A | -1.1964 | |
| 320 | G | A | -0.6650 | |
| 321 | R | A | 0.0000 | |
| 322 | L | A | 0.0000 | |
| 323 | L | A | 0.1567 | |
| 324 | P | A | -0.2680 | |
| 325 | G | A | -0.2810 | |
| 326 | D | A | 0.0000 | |
| 327 | I | A | 0.0000 | |
| 328 | I | A | 0.0000 | |
| 329 | L | A | -0.6316 | |
| 330 | K | A | -1.4202 | |
| 331 | V | A | 0.0000 | |
| 332 | N | A | -1.4184 | |
| 333 | G | A | -1.2268 | |
| 334 | M | A | -0.9640 | |
| 335 | D | A | -1.7550 | |
| 336 | I | A | 0.0000 | |
| 337 | S | A | -0.9994 | |
| 338 | N | A | -1.5054 | |
| 339 | V | A | -0.7994 | |
| 340 | P | A | -0.6535 | |
| 341 | H | A | 0.0000 | |
| 342 | N | A | -1.3856 | |
| 343 | Y | A | -0.3497 | |
| 344 | A | A | 0.0000 | |
| 345 | V | A | 0.0000 | |
| 346 | R | A | -2.3451 | |
| 347 | L | A | 0.0000 | |
| 348 | L | A | 0.0000 | |
| 349 | R | A | -1.9792 | |
| 350 | Q | A | -2.1468 | |
| 351 | P | A | -1.5649 | |
| 352 | C | A | -1.6492 | |
| 353 | Q | A | -2.1288 | |
| 354 | V | A | -1.4506 | |
| 355 | L | A | 0.0000 | |
| 356 | R | A | -2.2626 | |
| 357 | L | A | 0.0000 | |
| 358 | T | A | -0.8488 | |
| 359 | V | A | 0.0000 | |
| 360 | L | A | -0.2535 | |
| 361 | R | A | -1.0549 | |
| 362 | E | A | -1.3850 | |
| 363 | Q | A | -2.3106 | |
| 364 | K | A | -2.2035 | |
| 365 | F | A | -0.4635 | |
| 366 | R | A | -2.1805 | |
| 367 | S | A | -1.9640 | |
| 368 | R | A | -2.7883 | |
| 369 | S | A | -2.1474 | |
| 370 | N | A | -2.0122 | |
| 371 | A | A | -1.0823 | |
| 372 | H | A | -0.9137 | |
| 373 | V | A | 0.6819 | |
| 374 | P | A | -0.4256 | |
| 375 | D | A | -1.5468 | |
| 376 | S | A | -0.6368 | |
| 377 | Y | A | 0.2684 | |
| 378 | G | A | -0.7609 | |
| 379 | P | A | -1.3618 | |
| 380 | R | A | -2.2783 | |
| 381 | D | A | -1.8637 | |
| 382 | D | A | -1.6032 | |
| 383 | S | A | 0.0000 | |
| 384 | F | A | -0.2296 | |
| 385 | H | A | 0.0000 | |
| 386 | V | A | 0.0000 | |
| 387 | I | A | -0.6347 | |
| 388 | L | A | 0.0000 | |
| 389 | N | A | -2.7689 | |
| 390 | K | A | 0.0000 | |
| 391 | S | A | -1.9615 | |
| 392 | S | A | -2.3383 | |
| 393 | P | A | -3.2931 | |
| 394 | E | A | -3.1971 | |
| 395 | E | A | -2.7156 | |
| 396 | Q | A | -1.9786 | |
| 397 | L | A | 0.0000 | |
| 398 | G | A | 0.0000 | |
| 399 | I | A | -0.5554 | |
| 400 | K | A | -0.4470 | |
| 401 | L | A | 0.0000 | |
| 402 | V | A | -0.7289 | |
| 403 | R | A | -1.9530 | |
| 404 | R | A | -1.6808 | |
| 405 | V | A | -0.2935 | |
| 406 | D | A | -2.0824 | |
| 407 | E | A | -2.1541 | |
| 408 | P | A | -1.0412 | |
| 409 | G | A | 0.0000 | |
| 410 | V | A | 0.0000 | |
| 411 | F | A | 0.0000 | |
| 412 | I | A | 0.0000 | |
| 413 | F | A | 0.1187 | |
| 414 | N | A | -0.7551 | |
| 415 | V | A | -1.0219 | |
| 416 | L | A | -0.1762 | |
| 417 | N | A | -1.5079 | |
| 418 | G | A | -1.5520 | |
| 419 | G | A | -1.3494 | |
| 420 | V | A | 0.0000 | |
| 421 | A | A | 0.0000 | |
| 422 | D | A | -2.3976 | |
| 423 | R | A | -2.7568 | |
| 424 | H | A | -1.9584 | |
| 425 | G | A | -1.8689 | |
| 426 | Q | A | -1.3675 | |
| 427 | L | A | 0.0000 | |
| 428 | E | A | -2.9540 | |
| 429 | E | A | -2.8584 | |
| 430 | N | A | -2.2738 | |
| 431 | D | A | 0.0000 | |
| 432 | R | A | 0.0000 | |
| 433 | V | A | 0.0000 | |
| 434 | L | A | 0.0000 | |
| 435 | A | A | 0.0000 | |
| 436 | I | A | 0.0000 | |
| 437 | N | A | -1.5856 | |
| 438 | G | A | -1.7297 | |
| 439 | H | A | -2.2954 | |
| 440 | D | A | -2.3684 | |
| 441 | L | A | 0.0000 | |
| 442 | R | A | -0.6289 | |
| 443 | F | A | 0.7922 | |
| 444 | G | A | -0.5056 | |
| 445 | S | A | -0.8433 | |
| 446 | P | A | -1.4258 | |
| 447 | E | A | -2.3020 | |
| 448 | S | A | -1.5534 | |
| 449 | A | A | 0.0000 | |
| 450 | A | A | -1.4970 | |
| 451 | H | A | -1.8063 | |
| 452 | L | A | -1.1940 | |
| 453 | I | A | 0.0000 | |
| 454 | Q | A | -2.3976 | |
| 455 | A | A | -1.6554 | |
| 456 | S | A | 0.0000 | |
| 457 | E | A | -3.9945 | |
| 458 | R | A | -4.3156 | |
| 459 | R | A | -3.6755 | |
| 460 | V | A | 0.0000 | |
| 461 | H | A | 0.0000 | |
| 462 | L | A | 0.0000 | |
| 463 | V | A | 0.0000 | |
| 464 | V | A | 0.0000 | |
| 465 | S | A | 0.0000 | |
| 466 | R | A | -1.6984 | |
| 467 | Q | A | -1.3892 | |
| 468 | V | A | -0.3177 | |
| 469 | R | A | -1.8768 | |
| 470 | Q | A | -1.8535 | |
| 471 | S | A | -1.4320 | |
| 472 | S | A | -1.2465 | |
| 473 | P | A | -0.9687 | |
| 474 | D | A | -0.5761 | |
| 475 | I | A | 1.7114 | |
| 476 | F | A | 1.4998 | |
| 477 | Q | A | -0.6265 | |
| 478 | E | A | -1.9087 | |
| 479 | A | A | -0.8542 | |
| 480 | G | A | 0.2826 | |
| 481 | W | A | 1.6623 | |
| 482 | I | A | 2.1148 | |
| 483 | S | A | 0.2574 | |
| 484 | N | A | -1.4522 | |
| 485 | G | A | -1.9808 | |
| 486 | Q | A | -2.3183 | |
| 487 | Q | A | -2.0807 | |
| 488 | S | A | -1.3223 | |
| 489 | P | A | -0.9480 | |
| 490 | G | A | -1.0112 | |
| 491 | P | A | -1.4332 | |
| 492 | G | A | -2.1675 | |
| 493 | E | A | -3.3212 | |
| 494 | R | A | -3.5073 | |
| 495 | N | A | -2.7113 | |
| 496 | T | A | -1.6074 | |
| 497 | A | A | -1.1113 | |
| 498 | S | A | -1.2582 | |
| 499 | K | A | -1.9223 | |
| 500 | P | A | -1.2024 | |
| 501 | A | A | -0.7710 | |
| 502 | A | A | -1.3552 | |
| 503 | T | A | -1.2663 | |
| 504 | C | A | -1.4249 | |
| 505 | H | A | -1.9144 | |
| 506 | E | A | -1.9145 | |
| 507 | K | A | -0.7354 | |
| 508 | V | A | 1.0392 | |
| 509 | V | A | 0.0000 | |
| 510 | S | A | 0.3873 | |
| 511 | V | A | 0.0000 | |
| 512 | W | A | 0.6881 | |
| 513 | K | A | 0.0000 | |
| 514 | D | A | -1.5441 | |
| 515 | P | A | -1.3335 | |
| 516 | S | A | -1.1035 | |
| 517 | E | A | -1.4403 | |
| 518 | S | A | -1.3309 | |
| 519 | L | A | 0.0000 | |
| 520 | G | A | 0.0000 | |
| 521 | M | A | -0.5118 | |
| 522 | T | A | 0.0210 | |
| 523 | V | A | 0.0000 | |
| 524 | G | A | 0.0000 | |
| 525 | G | A | -0.3723 | |
| 526 | G | A | 0.0000 | |
| 527 | A | A | -1.9660 | |
| 528 | S | A | -1.9849 | |
| 529 | H | A | -2.2916 | |
| 530 | R | A | -2.9788 | |
| 531 | E | A | -2.2921 | |
| 532 | W | A | 0.0000 | |
| 533 | D | A | -1.7938 | |
| 534 | L | A | -0.8233 | |
| 535 | P | A | 0.0000 | |
| 536 | I | A | 0.0000 | |
| 537 | Y | A | -0.0933 | |
| 538 | V | A | 0.0000 | |
| 539 | I | A | -0.0134 | |
| 540 | S | A | -0.7307 | |
| 541 | V | A | -1.2275 | |
| 542 | E | A | -2.1414 | |
| 543 | P | A | -1.5863 | |
| 544 | G | A | -1.6610 | |
| 545 | G | A | -1.5965 | |
| 546 | V | A | 0.0000 | |
| 547 | I | A | 0.0000 | |
| 548 | S | A | -2.2971 | |
| 549 | R | A | -2.7575 | |
| 550 | D | A | -2.1099 | |
| 551 | G | A | -2.0580 | |
| 552 | R | A | -2.2078 | |
| 553 | I | A | 0.0000 | |
| 554 | K | A | -2.0786 | |
| 555 | T | A | -0.6555 | |
| 556 | G | A | -0.7733 | |
| 557 | D | A | 0.0000 | |
| 558 | I | A | 0.0000 | |
| 559 | L | A | 0.0000 | |
| 560 | L | A | 0.0000 | |
| 561 | N | A | -0.5905 | |
| 562 | V | A | 0.0000 | |
| 563 | N | A | -0.4768 | |
| 564 | G | A | -0.4382 | |
| 565 | I | A | 0.3185 | |
| 566 | E | A | -1.6242 | |
| 567 | L | A | 0.0000 | |
| 568 | T | A | -1.0867 | |
| 569 | E | A | -2.3671 | |
| 570 | V | A | -1.6850 | |
| 571 | S | A | -1.6810 | |
| 572 | R | A | -1.8260 | |
| 573 | T | A | -1.2822 | |
| 574 | E | A | -2.0376 | |
| 575 | A | A | 0.0000 | |
| 576 | V | A | -0.8155 | |
| 577 | A | A | -1.0883 | |
| 578 | I | A | -0.7727 | |
| 579 | L | A | 0.0000 | |
| 580 | K | A | -1.9215 | |
| 581 | S | A | -0.9371 | |
| 582 | A | A | -0.7008 | |
| 583 | P | A | -0.6708 | |
| 584 | S | A | -0.4131 | |
| 585 | S | A | -0.0041 | |
| 586 | V | A | 0.0000 | |
| 587 | V | A | 0.9213 | |
| 588 | L | A | 0.0000 | |
| 589 | K | A | -0.4318 | |
| 590 | A | A | 0.0000 | |
| 591 | L | A | 0.0000 | |
| 592 | E | A | -2.1331 | |
| 593 | V | A | 0.0000 | |
| 594 | K | A | -3.1325 | |
| 595 | E | A | -3.6632 | |
| 596 | Q | A | -3.5017 | |
| 597 | E | A | -3.7518 | |
| 598 | A | A | -2.6959 | |
| 599 | Q | A | -3.0997 | |
| 600 | E | A | -3.3278 | |
| 601 | D | A | -2.6826 | |
| 602 | C | A | -0.9760 | |
| 603 | S | A | -0.7398 | |
| 604 | P | A | 0.0323 | |
| 605 | A | A | 0.1373 | |
| 606 | A | A | 0.3025 | |
| 607 | L | A | 0.4716 | |
| 608 | D | A | -1.5879 | |
| 609 | S | A | -1.7422 | |
| 610 | N | A | -2.2867 | |
| 611 | H | A | -1.9864 | |
| 612 | N | A | -1.3610 | |
| 613 | V | A | 0.5564 | |
| 614 | T | A | -0.2921 | |
| 615 | P | A | -0.6927 | |
| 616 | P | A | -0.8825 | |
| 617 | G | A | -1.3756 | |
| 618 | D | A | -1.9886 | |
| 619 | W | A | -0.7749 | |
| 620 | S | A | -0.2303 | |
| 621 | P | A | 0.2063 | |
| 622 | S | A | -0.2008 | |
| 623 | W | A | 0.0000 | |
| 624 | V | A | -0.4048 | |
| 625 | M | A | 0.0000 | |
| 626 | W | A | 0.0000 | |
| 627 | L | A | -0.1028 | |
| 628 | E | A | -1.1353 | |
| 629 | L | A | 0.0000 | |
| 630 | P | A | -0.3118 | |
| 631 | Q | A | -0.7311 | |
| 632 | Y | A | 0.6148 | |
| 633 | L | A | 0.0000 | |
| 634 | C | A | -0.3776 | |
| 635 | N | A | -1.2059 | |
| 636 | C | A | -0.5099 | |
| 637 | K | A | -1.1706 | |
| 638 | D | A | -1.8061 | |
| 639 | V | A | 0.0000 | |
| 640 | I | A | -0.8265 | |
| 641 | L | A | 0.0000 | |
| 642 | R | A | -1.9251 | |
| 643 | R | A | -2.0973 | |
| 644 | N | A | -1.4974 | |
| 645 | T | A | -0.9287 | |
| 646 | A | A | -0.5969 | |
| 647 | G | A | -1.3902 | |
| 648 | S | A | -0.6862 | |
| 649 | L | A | 0.0000 | |
| 650 | G | A | 0.0000 | |
| 651 | F | A | 0.5778 | |
| 652 | C | A | 0.5872 | |
| 653 | I | A | 0.3187 | |
| 654 | V | A | 0.1715 | |
| 655 | G | A | -0.2698 | |
| 656 | G | A | 0.0000 | |
| 657 | Y | A | -0.6489 | |
| 658 | E | A | -1.2035 | |
| 659 | E | A | -1.4965 | |
| 660 | Y | A | 0.0617 | |
| 661 | S | A | -0.5470 | |
| 662 | G | A | -1.4271 | |
| 663 | N | A | -1.6407 | |
| 664 | K | A | -1.1334 | |
| 665 | P | A | -0.6754 | |
| 666 | F | A | 0.0000 | |
| 667 | F | A | 0.0000 | |
| 668 | I | A | 0.0000 | |
| 669 | K | A | 0.0157 | |
| 670 | S | A | 0.0000 | |
| 671 | I | A | -0.0882 | |
| 672 | V | A | -0.3569 | |
| 673 | E | A | -1.1429 | |
| 674 | G | A | -0.9438 | |
| 675 | T | A | -0.6890 | |
| 676 | P | A | 0.0000 | |
| 677 | A | A | 0.0000 | |
| 678 | Y | A | -0.5473 | |
| 679 | N | A | -0.9029 | |
| 680 | D | A | -0.9725 | |
| 681 | G | A | -1.0688 | |
| 682 | R | A | -1.7081 | |
| 683 | I | A | 0.0000 | |
| 684 | R | A | -0.5650 | |
| 685 | C | A | 0.0000 | |
| 686 | G | A | 0.0000 | |
| 687 | D | A | 0.0000 | |
| 688 | I | A | 0.3302 | |
| 689 | L | A | 0.0000 | |
| 690 | L | A | -0.2736 | |
| 691 | A | A | 0.0000 | |
| 692 | V | A | 0.0000 | |
| 693 | N | A | -2.1930 | |
| 694 | G | A | -2.0430 | |
| 695 | R | A | -2.4762 | |
| 696 | S | A | -1.4082 | |
| 697 | T | A | 0.0000 | |
| 698 | S | A | -0.7277 | |
| 699 | G | A | -0.7588 | |
| 700 | M | A | 0.0560 | |
| 701 | I | A | 0.3950 | |
| 702 | H | A | -0.4283 | |
| 703 | A | A | -0.2558 | |
| 704 | C | A | -0.1946 | |
| 705 | L | A | 0.0000 | |
| 706 | A | A | -1.2992 | |
| 707 | R | A | -2.7282 | |
| 708 | M | A | -1.6525 | |
| 709 | L | A | -1.7772 | |
| 710 | K | A | -3.3463 | |
| 711 | E | A | -3.2627 | |
| 712 | L | A | -2.5080 | |
| 713 | K | A | -2.9194 | |
| 714 | G | A | -2.4911 | |
| 715 | R | A | -2.4954 | |
| 716 | I | A | 0.0000 | |
| 717 | T | A | -1.4416 | |
| 718 | L | A | 0.0000 | |
| 719 | T | A | -1.0155 | |
| 720 | I | A | 0.0000 | |
| 721 | A | A | 0.0000 | |
| 722 | S | A | -0.4177 | |
| 723 | W | A | 0.0000 | |
| 724 | P | A | 0.0000 | |
| 725 | G | A | 0.0000 | |
| 726 | T | A | 0.0000 | |
| 727 | F | A | 0.4992 | |
| 728 | L | A | 0.0000 |
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 | -0.6529 | 4.974 | View | CSV | PDB |
| 4.5 | -0.7376 | 4.8287 | View | CSV | PDB |
| 5.0 | -0.8401 | 4.6586 | View | CSV | PDB |
| 5.5 | -0.9426 | 4.6005 | View | CSV | PDB |
| 6.0 | -1.0288 | 4.5537 | View | CSV | PDB |
| 6.5 | -1.0885 | 4.5133 | View | CSV | PDB |
| 7.0 | -1.1228 | 4.486 | View | CSV | PDB |
| 7.5 | -1.1408 | 4.4724 | View | CSV | PDB |
| 8.0 | -1.1493 | 4.4671 | View | CSV | PDB |
| 8.5 | -1.1487 | 4.4653 | View | CSV | PDB |
| 9.0 | -1.1363 | 4.4647 | 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