| Chain sequence(s) | MKPDAAREPEPLSPGRGAEAEGRWRERGEADTERQRTRERQEATLAGLAELGYLRQRQELLVRGALRCSGTVGTVAPRSGELRGDAAQRSRLEEKFLEENILLLRRQLNCLRRRDAGLLNQLQELDKQISDLRLDVEKTSEEHLETDSRPSSGFYELSDGASGSLSNSSNSVFSECLSSCHSSTCFCSPLEAALTISDGCPKSADVNPKYQCDLVSKNGNDVYRYPSPLHAVAVQSPMFLLCLTGNTLREEEGLGSHASDICIGSELNATKTDNSLPSPSSLWSASHPASSKKMDGYILSLVQKKTHPVRTNKPRTSVNADPTKGLLRNGSVCVRAPSGVPPGSSVNFKNTKQMCLPAGGITSLENGPFSPPKQRSKDSKTDQLESKRLALPESCSAGAAMEPQSKHVPKAAKAASQELTRCQAGLGESMKESNQASAVSPKTSPGRGPVAPAESKALQLPKKMSQKNSLQAVPALDRPALDFKSEGSSQSLEEGHLVKAQFIPGQQAAARPHRAHRNPGVARSATLKARGQAAMEHGLPTVREKPRAAGKKCRFPDDSDTNKKFRKTSAKGRRSGGLQDAGLPGRALGTGGHRAGSRAHAHGREPVVAKPKHKRTDYRRWKSSAEVSYEEALRRARRARREHGAAYRVAVALPYASPYAYVPSDSEYSAECESLFHSTVVDTSEDEQSNYTTNCFGDSESSVSEGDFVGESTTTSDSEESGGLIWSQFVQTLPIQTVTAPDLHTRPTKTFVKIKASHNLKKKILRFRSGSLKLMTTV 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 (00:00:03)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:09:53)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/37d7f0977094da/tmp/folded.pdb (00:09:53)
[INFO] Main: Simulation completed successfully. (00:12:44)
|
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 | -0.0013 | |
| 2 | K | A | -1.7317 | |
| 3 | P | A | -1.6905 | |
| 4 | D | A | -2.1643 | |
| 5 | A | A | -1.4190 | |
| 6 | A | A | -1.6634 | |
| 7 | R | A | -2.9511 | |
| 8 | E | A | -3.2757 | |
| 9 | P | A | -2.2837 | |
| 10 | E | A | -2.3407 | |
| 11 | P | A | -0.7363 | |
| 12 | L | A | 0.7021 | |
| 13 | S | A | -0.2701 | |
| 14 | P | A | -0.8247 | |
| 15 | G | A | -1.6045 | |
| 16 | R | A | -2.7372 | |
| 17 | G | A | -2.2921 | |
| 18 | A | A | -2.4190 | |
| 19 | E | A | -3.2196 | |
| 20 | A | A | -2.6392 | |
| 21 | E | A | -3.4324 | |
| 22 | G | A | -3.6151 | |
| 23 | R | A | -4.0366 | |
| 24 | W | A | -2.9641 | |
| 25 | R | A | -4.5691 | |
| 26 | E | A | -5.1042 | |
| 27 | R | A | -4.8042 | |
| 28 | G | A | -4.2539 | |
| 29 | E | A | -4.8222 | |
| 30 | A | A | -4.3941 | |
| 31 | D | A | -5.0527 | |
| 32 | T | A | -4.5250 | |
| 33 | E | A | -5.2981 | |
| 34 | R | A | -5.2137 | |
| 35 | Q | A | -5.5188 | |
| 36 | R | A | -5.7984 | |
| 37 | T | A | -5.0649 | |
| 38 | R | A | -5.7981 | |
| 39 | E | A | -5.7592 | |
| 40 | R | A | -4.9238 | |
| 41 | Q | A | -3.9934 | |
| 42 | E | A | -3.5728 | |
| 43 | A | A | -1.9565 | |
| 44 | T | A | -1.1093 | |
| 45 | L | A | 0.3617 | |
| 46 | A | A | -0.0358 | |
| 47 | G | A | 0.3276 | |
| 48 | L | A | 1.6905 | |
| 49 | A | A | 0.6323 | |
| 50 | E | A | -0.4889 | |
| 51 | L | A | 0.5424 | |
| 52 | G | A | -0.3713 | |
| 53 | Y | A | -0.3004 | |
| 54 | L | A | -0.4998 | |
| 55 | R | A | -2.2060 | |
| 56 | Q | A | -1.7387 | |
| 57 | R | A | -1.3685 | |
| 58 | Q | A | -1.6288 | |
| 59 | E | A | -1.2856 | |
| 60 | L | A | 0.6319 | |
| 61 | L | A | 0.9490 | |
| 62 | V | A | 0.7118 | |
| 63 | R | A | -0.1171 | |
| 64 | G | A | 0.3190 | |
| 65 | A | A | 0.7134 | |
| 66 | L | A | 0.8902 | |
| 67 | R | A | -1.0255 | |
| 68 | C | A | 0.2676 | |
| 69 | S | A | 0.1785 | |
| 70 | G | A | -0.1685 | |
| 71 | T | A | 0.5540 | |
| 72 | V | A | 1.6827 | |
| 73 | G | A | 0.5527 | |
| 74 | T | A | 0.8984 | |
| 75 | V | A | 1.6057 | |
| 76 | A | A | 0.4533 | |
| 77 | P | A | -0.8981 | |
| 78 | R | A | -2.1217 | |
| 79 | S | A | -1.7433 | |
| 80 | G | A | -2.0268 | |
| 81 | E | A | -2.8293 | |
| 82 | L | A | -1.3315 | |
| 83 | R | A | -2.5570 | |
| 84 | G | A | -2.6097 | |
| 85 | D | A | -3.1235 | |
| 86 | A | A | -2.1885 | |
| 87 | A | A | -2.2497 | |
| 88 | Q | A | -3.1675 | |
| 89 | R | A | -3.4673 | |
| 90 | S | A | -2.9955 | |
| 91 | R | A | -3.5625 | |
| 92 | L | A | -2.0455 | |
| 93 | E | A | -3.3163 | |
| 94 | E | A | -4.0199 | |
| 95 | K | A | -3.3610 | |
| 96 | F | A | -1.0135 | |
| 97 | L | A | -1.2649 | |
| 98 | E | A | -2.3204 | |
| 99 | E | A | -2.2688 | |
| 100 | N | A | -1.0137 | |
| 101 | I | A | -0.2503 | |
| 102 | L | A | -0.3201 | |
| 103 | L | A | 0.0356 | |
| 104 | L | A | 0.2763 | |
| 105 | R | A | -1.5137 | |
| 106 | R | A | -1.9823 | |
| 107 | Q | A | -1.0790 | |
| 108 | L | A | -0.6373 | |
| 109 | N | A | -2.4916 | |
| 110 | C | A | -1.9289 | |
| 111 | L | A | -1.8812 | |
| 112 | R | A | -3.3725 | |
| 113 | R | A | -3.6136 | |
| 114 | R | A | -3.2826 | |
| 115 | D | A | -3.0084 | |
| 116 | A | A | -2.1394 | |
| 117 | G | A | -1.9615 | |
| 118 | L | A | -0.8704 | |
| 119 | L | A | -0.7242 | |
| 120 | N | A | -1.8234 | |
| 121 | Q | A | -1.7455 | |
| 122 | L | A | -0.7603 | |
| 123 | Q | A | -2.3135 | |
| 124 | E | A | -2.4116 | |
| 125 | L | A | -1.4248 | |
| 126 | D | A | -2.7087 | |
| 127 | K | A | -3.0472 | |
| 128 | Q | A | -2.0067 | |
| 129 | I | A | -0.8597 | |
| 130 | S | A | -1.8410 | |
| 131 | D | A | -2.0768 | |
| 132 | L | A | -0.2747 | |
| 133 | R | A | -1.1151 | |
| 134 | L | A | 0.0566 | |
| 135 | D | A | -1.7475 | |
| 136 | V | A | -0.2761 | |
| 137 | E | A | -2.3756 | |
| 138 | K | A | -2.7180 | |
| 139 | T | A | -1.9014 | |
| 140 | S | A | -2.2207 | |
| 141 | E | A | -3.3572 | |
| 142 | E | A | -2.8801 | |
| 143 | H | A | -1.9569 | |
| 144 | L | A | -0.6456 | |
| 145 | E | A | -1.7684 | |
| 146 | T | A | -1.8398 | |
| 147 | D | A | -2.6548 | |
| 148 | S | A | -2.0404 | |
| 149 | R | A | -2.5483 | |
| 150 | P | A | -1.6634 | |
| 151 | S | A | -0.7213 | |
| 152 | S | A | -0.1707 | |
| 153 | G | A | 0.5622 | |
| 154 | F | A | 1.8461 | |
| 155 | Y | A | 1.6165 | |
| 156 | E | A | -0.0622 | |
| 157 | L | A | 0.3516 | |
| 158 | S | A | -0.7733 | |
| 159 | D | A | -1.7651 | |
| 160 | G | A | -1.3067 | |
| 161 | A | A | -0.8142 | |
| 162 | S | A | -0.6396 | |
| 163 | G | A | -0.3454 | |
| 164 | S | A | 0.0362 | |
| 165 | L | A | 0.8432 | |
| 166 | S | A | -0.2995 | |
| 167 | N | A | -1.2911 | |
| 168 | S | A | -1.1694 | |
| 169 | S | A | -1.0932 | |
| 170 | N | A | -1.2630 | |
| 171 | S | A | 0.3403 | |
| 172 | V | A | 2.2342 | |
| 173 | F | A | 2.2829 | |
| 174 | S | A | 0.5510 | |
| 175 | E | A | -0.7088 | |
| 176 | C | A | 0.6721 | |
| 177 | L | A | 1.3087 | |
| 178 | S | A | 0.4947 | |
| 179 | S | A | 0.2115 | |
| 180 | C | A | 0.2047 | |
| 181 | H | A | -0.8585 | |
| 182 | S | A | -0.5741 | |
| 183 | S | A | -0.1745 | |
| 184 | T | A | 0.7454 | |
| 185 | C | A | 1.7135 | |
| 186 | F | A | 2.5230 | |
| 187 | C | A | 1.8818 | |
| 188 | S | A | 0.8354 | |
| 189 | P | A | 0.3452 | |
| 190 | L | A | 0.5899 | |
| 191 | E | A | -0.9317 | |
| 192 | A | A | -0.0025 | |
| 193 | A | A | 0.5301 | |
| 194 | L | A | 1.7541 | |
| 195 | T | A | 1.4281 | |
| 196 | I | A | 1.8018 | |
| 197 | S | A | 0.1603 | |
| 198 | D | A | -1.5529 | |
| 199 | G | A | -1.2849 | |
| 200 | C | A | -0.5385 | |
| 201 | P | A | -1.0601 | |
| 202 | K | A | -1.9628 | |
| 203 | S | A | -1.3304 | |
| 204 | A | A | -1.2533 | |
| 205 | D | A | -2.0318 | |
| 206 | V | A | -1.1069 | |
| 207 | N | A | -1.7543 | |
| 208 | P | A | -1.5096 | |
| 209 | K | A | -1.6115 | |
| 210 | Y | A | -0.0382 | |
| 211 | Q | A | -0.9581 | |
| 212 | C | A | 0.5307 | |
| 213 | D | A | 0.8973 | |
| 214 | L | A | 1.6734 | |
| 215 | V | A | 1.6671 | |
| 216 | S | A | -0.3751 | |
| 217 | K | A | -2.1006 | |
| 218 | N | A | -2.5813 | |
| 219 | G | A | -1.5030 | |
| 220 | N | A | -1.8101 | |
| 221 | D | A | -0.5302 | |
| 222 | V | A | 1.7729 | |
| 223 | Y | A | 1.4919 | |
| 224 | R | A | -0.5521 | |
| 225 | Y | A | 0.2154 | |
| 226 | P | A | 0.0415 | |
| 227 | S | A | 0.6756 | |
| 228 | P | A | 0.8034 | |
| 229 | L | A | 1.8012 | |
| 230 | H | A | 0.7153 | |
| 231 | A | A | 1.0624 | |
| 232 | V | A | 1.9578 | |
| 233 | A | A | 1.5975 | |
| 234 | V | A | 1.7686 | |
| 235 | Q | A | 0.5073 | |
| 236 | S | A | 1.0491 | |
| 237 | P | A | 1.3449 | |
| 238 | M | A | 2.6542 | |
| 239 | F | A | 3.1724 | |
| 240 | L | A | 3.4832 | |
| 241 | L | A | 3.3316 | |
| 242 | C | A | 2.7806 | |
| 243 | L | A | 2.6888 | |
| 244 | T | A | 1.5158 | |
| 245 | G | A | 0.3525 | |
| 246 | N | A | -0.7354 | |
| 247 | T | A | -0.4824 | |
| 248 | L | A | -0.4570 | |
| 249 | R | A | -2.8892 | |
| 250 | E | A | -3.6992 | |
| 251 | E | A | -3.9212 | |
| 252 | E | A | -3.3874 | |
| 253 | G | A | -1.3453 | |
| 254 | L | A | 0.6716 | |
| 255 | G | A | -0.3487 | |
| 256 | S | A | -0.5911 | |
| 257 | H | A | -1.3914 | |
| 258 | A | A | -1.0465 | |
| 259 | S | A | -0.9590 | |
| 260 | D | A | -0.8626 | |
| 261 | I | A | 1.9100 | |
| 262 | C | A | 2.2975 | |
| 263 | I | A | 2.4637 | |
| 264 | G | A | 0.3266 | |
| 265 | S | A | -0.6276 | |
| 266 | E | A | -1.5557 | |
| 267 | L | A | -0.0040 | |
| 268 | N | A | -0.8881 | |
| 269 | A | A | -0.7190 | |
| 270 | T | A | -1.2800 | |
| 271 | K | A | -2.1255 | |
| 272 | T | A | -2.0719 | |
| 273 | D | A | -2.8296 | |
| 274 | N | A | -1.9487 | |
| 275 | S | A | -0.4808 | |
| 276 | L | A | 0.9732 | |
| 277 | P | A | 0.3478 | |
| 278 | S | A | -0.1886 | |
| 279 | P | A | -0.1042 | |
| 280 | S | A | -0.0058 | |
| 281 | S | A | 0.6238 | |
| 282 | L | A | 1.8681 | |
| 283 | W | A | 1.7339 | |
| 284 | S | A | 0.5661 | |
| 285 | A | A | 0.0455 | |
| 286 | S | A | -0.6462 | |
| 287 | H | A | -1.2520 | |
| 288 | P | A | -1.3862 | |
| 289 | A | A | -1.1707 | |
| 290 | S | A | -1.5553 | |
| 291 | S | A | -1.7668 | |
| 292 | K | A | -2.8540 | |
| 293 | K | A | -2.2464 | |
| 294 | M | A | -0.5242 | |
| 295 | D | A | -1.4903 | |
| 296 | G | A | -0.3984 | |
| 297 | Y | A | 1.2811 | |
| 298 | I | A | 1.6583 | |
| 299 | L | A | 1.5483 | |
| 300 | S | A | 0.5809 | |
| 301 | L | A | 0.4678 | |
| 302 | V | A | 0.6170 | |
| 303 | Q | A | -1.3698 | |
| 304 | K | A | -2.5833 | |
| 305 | K | A | -2.3685 | |
| 306 | T | A | -1.7481 | |
| 307 | H | A | -2.0200 | |
| 308 | P | A | -0.8635 | |
| 309 | V | A | 0.0587 | |
| 310 | R | A | -1.8061 | |
| 311 | T | A | -1.6713 | |
| 312 | N | A | -2.6851 | |
| 313 | K | A | -3.2810 | |
| 314 | P | A | -2.3511 | |
| 315 | R | A | -2.5395 | |
| 316 | T | A | -1.0858 | |
| 317 | S | A | -0.5173 | |
| 318 | V | A | 0.7352 | |
| 319 | N | A | -0.9426 | |
| 320 | A | A | -0.8103 | |
| 321 | D | A | -1.5005 | |
| 322 | P | A | -1.3292 | |
| 323 | T | A | -1.1521 | |
| 324 | K | A | -1.9946 | |
| 325 | G | A | -0.7265 | |
| 326 | L | A | 1.3015 | |
| 327 | L | A | 0.9751 | |
| 328 | R | A | -1.6264 | |
| 329 | N | A | -1.9729 | |
| 330 | G | A | -1.0969 | |
| 331 | S | A | 0.2745 | |
| 332 | V | A | 2.1928 | |
| 333 | C | A | 1.9166 | |
| 334 | V | A | 1.6407 | |
| 335 | R | A | -0.8520 | |
| 336 | A | A | -0.5860 | |
| 337 | P | A | -0.8075 | |
| 338 | S | A | -0.1392 | |
| 339 | G | A | 0.1636 | |
| 340 | V | A | 1.3350 | |
| 341 | P | A | 0.2381 | |
| 342 | P | A | -0.3241 | |
| 343 | G | A | -0.7923 | |
| 344 | S | A | -0.2494 | |
| 345 | S | A | 0.1128 | |
| 346 | V | A | 1.3314 | |
| 347 | N | A | 0.2547 | |
| 348 | F | A | 0.5850 | |
| 349 | K | A | -1.5969 | |
| 350 | N | A | -2.0637 | |
| 351 | T | A | -2.0772 | |
| 352 | K | A | -2.3296 | |
| 353 | Q | A | -1.2732 | |
| 354 | M | A | 0.6772 | |
| 355 | C | A | 1.6455 | |
| 356 | L | A | 1.9832 | |
| 357 | P | A | 0.7289 | |
| 358 | A | A | -0.0489 | |
| 359 | G | A | -0.2956 | |
| 360 | G | A | 0.3340 | |
| 361 | I | A | 1.7475 | |
| 362 | T | A | 1.1802 | |
| 363 | S | A | 0.4945 | |
| 364 | L | A | 0.4366 | |
| 365 | E | A | -1.8361 | |
| 366 | N | A | -2.1984 | |
| 367 | G | A | -1.1547 | |
| 368 | P | A | 0.0710 | |
| 369 | F | A | 1.5637 | |
| 370 | S | A | 0.5369 | |
| 371 | P | A | -0.4780 | |
| 372 | P | A | -1.4711 | |
| 373 | K | A | -2.8305 | |
| 374 | Q | A | -3.0202 | |
| 375 | R | A | -3.2092 | |
| 376 | S | A | -2.6555 | |
| 377 | K | A | -3.1048 | |
| 378 | D | A | -3.1430 | |
| 379 | S | A | -2.4269 | |
| 380 | K | A | -2.5998 | |
| 381 | T | A | -2.0736 | |
| 382 | D | A | -2.4120 | |
| 383 | Q | A | -1.6807 | |
| 384 | L | A | -0.5473 | |
| 385 | E | A | -1.9278 | |
| 386 | S | A | -2.0390 | |
| 387 | K | A | -2.8323 | |
| 388 | R | A | -2.0174 | |
| 389 | L | A | 0.5081 | |
| 390 | A | A | 1.0740 | |
| 391 | L | A | 1.2886 | |
| 392 | P | A | -0.2330 | |
| 393 | E | A | -1.6090 | |
| 394 | S | A | -1.0103 | |
| 395 | C | A | 0.1240 | |
| 396 | S | A | 0.0766 | |
| 397 | A | A | -0.1062 | |
| 398 | G | A | -0.4421 | |
| 399 | A | A | 0.0864 | |
| 400 | A | A | 0.1346 | |
| 401 | M | A | 0.1650 | |
| 402 | E | A | -1.7209 | |
| 403 | P | A | -1.6756 | |
| 404 | Q | A | -2.1940 | |
| 405 | S | A | -1.8872 | |
| 406 | K | A | -2.1731 | |
| 407 | H | A | -1.0752 | |
| 408 | V | A | 0.4244 | |
| 409 | P | A | -0.4780 | |
| 410 | K | A | -1.3748 | |
| 411 | A | A | -1.1764 | |
| 412 | A | A | -1.0525 | |
| 413 | K | A | -1.6178 | |
| 414 | A | A | -0.7592 | |
| 415 | A | A | -0.8501 | |
| 416 | S | A | -1.2259 | |
| 417 | Q | A | -1.9644 | |
| 418 | E | A | -1.7433 | |
| 419 | L | A | -0.1257 | |
| 420 | T | A | -0.5914 | |
| 421 | R | A | -1.4684 | |
| 422 | C | A | -0.8209 | |
| 423 | Q | A | -1.2281 | |
| 424 | A | A | -0.2515 | |
| 425 | G | A | 0.0407 | |
| 426 | L | A | 0.6662 | |
| 427 | G | A | -0.5987 | |
| 428 | E | A | -1.5954 | |
| 429 | S | A | -0.9426 | |
| 430 | M | A | -0.5904 | |
| 431 | K | A | -2.1695 | |
| 432 | E | A | -2.8067 | |
| 433 | S | A | -2.2901 | |
| 434 | N | A | -2.3113 | |
| 435 | Q | A | -1.8738 | |
| 436 | A | A | -0.8977 | |
| 437 | S | A | -0.0592 | |
| 438 | A | A | 0.8146 | |
| 439 | V | A | 1.6060 | |
| 440 | S | A | 0.1382 | |
| 441 | P | A | -0.8205 | |
| 442 | K | A | -1.9467 | |
| 443 | T | A | -1.0832 | |
| 444 | S | A | -0.8141 | |
| 445 | P | A | -0.9289 | |
| 446 | G | A | -1.5883 | |
| 447 | R | A | -2.3835 | |
| 448 | G | A | -1.2065 | |
| 449 | P | A | -0.0780 | |
| 450 | V | A | 1.5428 | |
| 451 | A | A | 0.7351 | |
| 452 | P | A | -0.2470 | |
| 453 | A | A | -1.0549 | |
| 454 | E | A | -2.2500 | |
| 455 | S | A | -1.8840 | |
| 456 | K | A | -1.8235 | |
| 457 | A | A | -0.3844 | |
| 458 | L | A | 0.9675 | |
| 459 | Q | A | 0.3082 | |
| 460 | L | A | 0.7506 | |
| 461 | P | A | -0.7713 | |
| 462 | K | A | -2.0975 | |
| 463 | K | A | -2.0922 | |
| 464 | M | A | -0.4113 | |
| 465 | S | A | -0.9546 | |
| 466 | Q | A | -2.1216 | |
| 467 | K | A | -2.9496 | |
| 468 | N | A | -2.0943 | |
| 469 | S | A | -0.7577 | |
| 470 | L | A | 0.6204 | |
| 471 | Q | A | -0.1221 | |
| 472 | A | A | 0.5579 | |
| 473 | V | A | 1.4401 | |
| 474 | P | A | 1.0649 | |
| 475 | A | A | 0.6845 | |
| 476 | L | A | 0.3220 | |
| 477 | D | A | -1.9611 | |
| 478 | R | A | -2.5034 | |
| 479 | P | A | -1.1686 | |
| 480 | A | A | -0.0589 | |
| 481 | L | A | 1.0680 | |
| 482 | D | A | -0.4285 | |
| 483 | F | A | 0.5271 | |
| 484 | K | A | -1.6034 | |
| 485 | S | A | -1.6231 | |
| 486 | E | A | -2.5239 | |
| 487 | G | A | -1.5259 | |
| 488 | S | A | -1.1498 | |
| 489 | S | A | -1.0403 | |
| 490 | Q | A | -1.1213 | |
| 491 | S | A | -0.3389 | |
| 492 | L | A | -0.0500 | |
| 493 | E | A | -2.3241 | |
| 494 | E | A | -2.9366 | |
| 495 | G | A | -1.8646 | |
| 496 | H | A | -0.6889 | |
| 497 | L | A | 1.5024 | |
| 498 | V | A | 1.5061 | |
| 499 | K | A | -0.7766 | |
| 500 | A | A | -0.5799 | |
| 501 | Q | A | -0.1637 | |
| 502 | F | A | 2.2810 | |
| 503 | I | A | 2.4455 | |
| 504 | P | A | 0.6517 | |
| 505 | G | A | -0.9124 | |
| 506 | Q | A | -2.0347 | |
| 507 | Q | A | -1.8123 | |
| 508 | A | A | -0.8441 | |
| 509 | A | A | -0.5867 | |
| 510 | A | A | -0.8224 | |
| 511 | R | A | -2.3592 | |
| 512 | P | A | -2.1621 | |
| 513 | H | A | -2.5708 | |
| 514 | R | A | -2.8385 | |
| 515 | A | A | -2.0162 | |
| 516 | H | A | -2.5211 | |
| 517 | R | A | -2.9978 | |
| 518 | N | A | -2.6185 | |
| 519 | P | A | -1.2260 | |
| 520 | G | A | -0.0512 | |
| 521 | V | A | 1.1672 | |
| 522 | A | A | -0.1412 | |
| 523 | R | A | -1.5666 | |
| 524 | S | A | -1.1398 | |
| 525 | A | A | -0.1263 | |
| 526 | T | A | 0.3260 | |
| 527 | L | A | 0.6909 | |
| 528 | K | A | -1.3056 | |
| 529 | A | A | -1.5801 | |
| 530 | R | A | -2.6438 | |
| 531 | G | A | -1.9941 | |
| 532 | Q | A | -1.8050 | |
| 533 | A | A | -0.3499 | |
| 534 | A | A | -0.0310 | |
| 535 | M | A | -0.0858 | |
| 536 | E | A | -1.7924 | |
| 537 | H | A | -1.5565 | |
| 538 | G | A | -0.6077 | |
| 539 | L | A | 0.9775 | |
| 540 | P | A | 0.7986 | |
| 541 | T | A | 0.6271 | |
| 542 | V | A | 0.3558 | |
| 543 | R | A | -2.1563 | |
| 544 | E | A | -3.1958 | |
| 545 | K | A | -3.5111 | |
| 546 | P | A | -2.4866 | |
| 547 | R | A | -2.3657 | |
| 548 | A | A | -1.1542 | |
| 549 | A | A | -1.0680 | |
| 550 | G | A | -1.8175 | |
| 551 | K | A | -2.5750 | |
| 552 | K | A | -2.4950 | |
| 553 | C | A | -0.9979 | |
| 554 | R | A | -1.2446 | |
| 555 | F | A | 0.1944 | |
| 556 | P | A | -1.1542 | |
| 557 | D | A | -2.5791 | |
| 558 | D | A | -2.9728 | |
| 559 | S | A | -2.5658 | |
| 560 | D | A | -2.8443 | |
| 561 | T | A | -2.5405 | |
| 562 | N | A | -2.8598 | |
| 563 | K | A | -3.1118 | |
| 564 | K | A | -2.5981 | |
| 565 | F | A | -0.6940 | |
| 566 | R | A | -2.4314 | |
| 567 | K | A | -2.4374 | |
| 568 | T | A | -1.4555 | |
| 569 | S | A | -1.2988 | |
| 570 | A | A | -1.1024 | |
| 571 | K | A | -2.5722 | |
| 572 | G | A | -2.5766 | |
| 573 | R | A | -3.5713 | |
| 574 | R | A | -3.3458 | |
| 575 | S | A | -1.7054 | |
| 576 | G | A | -1.0773 | |
| 577 | G | A | -0.3412 | |
| 578 | L | A | 0.2214 | |
| 579 | Q | A | -1.5649 | |
| 580 | D | A | -2.2530 | |
| 581 | A | A | -0.9557 | |
| 582 | G | A | -0.1311 | |
| 583 | L | A | 1.0920 | |
| 584 | P | A | -0.0829 | |
| 585 | G | A | -1.1174 | |
| 586 | R | A | -1.7667 | |
| 587 | A | A | -0.1326 | |
| 588 | L | A | 0.9618 | |
| 589 | G | A | 0.1205 | |
| 590 | T | A | -0.3695 | |
| 591 | G | A | -1.0454 | |
| 592 | G | A | -1.6338 | |
| 593 | H | A | -2.2055 | |
| 594 | R | A | -2.4899 | |
| 595 | A | A | -1.3254 | |
| 596 | G | A | -1.3539 | |
| 597 | S | A | -1.2865 | |
| 598 | R | A | -2.2305 | |
| 599 | A | A | -1.3918 | |
| 600 | H | A | -1.5654 | |
| 601 | A | A | -1.2465 | |
| 602 | H | A | -2.0267 | |
| 603 | G | A | -2.1797 | |
| 604 | R | A | -3.2244 | |
| 605 | E | A | -2.3993 | |
| 606 | P | A | -0.2205 | |
| 607 | V | A | 1.8858 | |
| 608 | V | A | 1.9698 | |
| 609 | A | A | 0.2887 | |
| 610 | K | A | -1.7508 | |
| 611 | P | A | -2.1072 | |
| 612 | K | A | -3.3118 | |
| 613 | H | A | -3.3811 | |
| 614 | K | A | -3.4938 | |
| 615 | R | A | -3.3712 | |
| 616 | T | A | -2.2840 | |
| 617 | D | A | -2.3425 | |
| 618 | Y | A | -1.0726 | |
| 619 | R | A | -2.4422 | |
| 620 | R | A | -2.2958 | |
| 621 | W | A | -0.4506 | |
| 622 | K | A | -1.1705 | |
| 623 | S | A | -0.5277 | |
| 624 | S | A | 0.0262 | |
| 625 | A | A | -0.1320 | |
| 626 | E | A | -0.4281 | |
| 627 | V | A | 0.5327 | |
| 628 | S | A | 0.0009 | |
| 629 | Y | A | 0.2831 | |
| 630 | E | A | -1.1171 | |
| 631 | E | A | -2.0864 | |
| 632 | A | A | -1.6954 | |
| 633 | L | A | -1.8361 | |
| 634 | R | A | -4.1439 | |
| 635 | R | A | -4.2332 | |
| 636 | A | A | -3.5697 | |
| 637 | R | A | -4.8795 | |
| 638 | R | A | -5.3709 | |
| 639 | A | A | -4.4068 | |
| 640 | R | A | -5.1916 | |
| 641 | R | A | -5.0034 | |
| 642 | E | A | -4.4658 | |
| 643 | H | A | -3.3136 | |
| 644 | G | A | -2.2746 | |
| 645 | A | A | -1.0632 | |
| 646 | A | A | -0.1253 | |
| 647 | Y | A | 0.7189 | |
| 648 | R | A | -0.0906 | |
| 649 | V | A | 1.6895 | |
| 650 | A | A | 1.6766 | |
| 651 | V | A | 2.3915 | |
| 652 | A | A | 1.9521 | |
| 653 | L | A | 2.1924 | |
| 654 | P | A | 1.4069 | |
| 655 | Y | A | 1.5937 | |
| 656 | A | A | 0.6625 | |
| 657 | S | A | 0.2748 | |
| 658 | P | A | 0.4425 | |
| 659 | Y | A | 1.5122 | |
| 660 | A | A | 1.5967 | |
| 661 | Y | A | 2.4498 | |
| 662 | V | A | 2.0319 | |
| 663 | P | A | 0.5179 | |
| 664 | S | A | -0.8737 | |
| 665 | D | A | -2.3047 | |
| 666 | S | A | -1.7677 | |
| 667 | E | A | -1.7488 | |
| 668 | Y | A | 0.2868 | |
| 669 | S | A | -0.2617 | |
| 670 | A | A | -0.7903 | |
| 671 | E | A | -1.8669 | |
| 672 | C | A | -1.0446 | |
| 673 | E | A | -1.2891 | |
| 674 | S | A | -0.1649 | |
| 675 | L | A | 1.6502 | |
| 676 | F | A | 1.8274 | |
| 677 | H | A | 0.3904 | |
| 678 | S | A | 0.7115 | |
| 679 | T | A | 0.9733 | |
| 680 | V | A | 2.0885 | |
| 681 | V | A | 1.8287 | |
| 682 | D | A | -0.7533 | |
| 683 | T | A | -1.1046 | |
| 684 | S | A | -2.2703 | |
| 685 | E | A | -3.5518 | |
| 686 | D | A | -3.9613 | |
| 687 | E | A | -3.8827 | |
| 688 | Q | A | -2.9975 | |
| 689 | S | A | -1.7712 | |
| 690 | N | A | -1.2465 | |
| 691 | Y | A | 0.4681 | |
| 692 | T | A | 0.0035 | |
| 693 | T | A | -0.0881 | |
| 694 | N | A | -0.5534 | |
| 695 | C | A | 0.7339 | |
| 696 | F | A | 1.2270 | |
| 697 | G | A | -0.2375 | |
| 698 | D | A | -1.9781 | |
| 699 | S | A | -2.0483 | |
| 700 | E | A | -2.4980 | |
| 701 | S | A | -0.8314 | |
| 702 | S | A | 0.1401 | |
| 703 | V | A | 1.0981 | |
| 704 | S | A | -0.4967 | |
| 705 | E | A | -2.1589 | |
| 706 | G | A | -1.8692 | |
| 707 | D | A | -1.1334 | |
| 708 | F | A | 1.7271 | |
| 709 | V | A | 1.6417 | |
| 710 | G | A | -0.1356 | |
| 711 | E | A | -1.7540 | |
| 712 | S | A | -1.2386 | |
| 713 | T | A | -0.6194 | |
| 714 | T | A | -0.2325 | |
| 715 | T | A | -0.6832 | |
| 716 | S | A | -1.2594 | |
| 717 | D | A | -2.4111 | |
| 718 | S | A | -2.4752 | |
| 719 | E | A | -3.3273 | |
| 720 | E | A | -3.1099 | |
| 721 | S | A | -1.9834 | |
| 722 | G | A | -0.9048 | |
| 723 | G | A | 0.1766 | |
| 724 | L | A | 2.5657 | |
| 725 | I | A | 3.3275 | |
| 726 | W | A | 2.4945 | |
| 727 | S | A | 0.8557 | |
| 728 | Q | A | 0.3488 | |
| 729 | F | A | 2.0028 | |
| 730 | V | A | 1.8535 | |
| 731 | Q | A | 0.2761 | |
| 732 | T | A | 0.4455 | |
| 733 | L | A | 1.5544 | |
| 734 | P | A | 1.3166 | |
| 735 | I | A | 1.7603 | |
| 736 | Q | A | 0.1896 | |
| 737 | T | A | 0.6476 | |
| 738 | V | A | 1.6038 | |
| 739 | T | A | 0.5597 | |
| 740 | A | A | 0.0154 | |
| 741 | P | A | -0.5739 | |
| 742 | D | A | -1.3909 | |
| 743 | L | A | 0.1202 | |
| 744 | H | A | -1.1530 | |
| 745 | T | A | -1.3441 | |
| 746 | R | A | -2.4378 | |
| 747 | P | A | -1.7509 | |
| 748 | T | A | -1.3016 | |
| 749 | K | A | -1.2795 | |
| 750 | T | A | 0.2605 | |
| 751 | F | A | 2.0470 | |
| 752 | V | A | 2.0277 | |
| 753 | K | A | 0.2200 | |
| 754 | I | A | 1.1015 | |
| 755 | K | A | -1.2321 | |
| 756 | A | A | -1.2271 | |
| 757 | S | A | -1.7310 | |
| 758 | H | A | -2.7150 | |
| 759 | N | A | -2.5958 | |
| 760 | L | A | -1.8656 | |
| 761 | K | A | -2.8887 | |
| 762 | K | A | -3.5270 | |
| 763 | K | A | -2.9108 | |
| 764 | I | A | -1.3244 | |
| 765 | L | A | -1.5942 | |
| 766 | R | A | -2.4928 | |
| 767 | F | A | -0.9631 | |
| 768 | R | A | -1.7897 | |
| 769 | S | A | -1.0265 | |
| 770 | G | A | -0.8837 | |
| 771 | S | A | -0.2919 | |
| 772 | L | A | 0.8641 | |
| 773 | K | A | -0.0289 | |
| 774 | L | A | 1.6196 | |
| 775 | M | A | 1.6652 | |
| 776 | T | A | 1.0681 | |
| 777 | T | A | 1.2129 | |
| 778 | V | A | 1.8395 |
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 | -0.7661 | 5.7229 | View | CSV | PDB |
| 4.5 | -0.8536 | 5.7229 | View | CSV | PDB |
| 5.0 | -0.9626 | 5.7229 | View | CSV | PDB |
| 5.5 | -1.0697 | 5.7229 | View | CSV | PDB |
| 6.0 | -1.1509 | 5.7229 | View | CSV | PDB |
| 6.5 | -1.1924 | 5.7229 | View | CSV | PDB |
| 7.0 | -1.1954 | 5.7229 | View | CSV | PDB |
| 7.5 | -1.1721 | 5.7229 | View | CSV | PDB |
| 8.0 | -1.1342 | 5.7229 | View | CSV | PDB |
| 8.5 | -1.0863 | 5.7229 | View | CSV | PDB |
| 9.0 | -1.0276 | 5.7229 | 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