| Chain sequence(s) | MEWGYLLEVTSLLAALAVLQRSSGAAAASAKELACQEITVPLCKGIGYNYTYMPNQFNHDTQDEAGLEVHQFWPLVEIQCSPDLKFFLCSMYTPICLEDYKKPLPPCRSVCERAKAGCAPLMRQYGFAWPDRMRCDRLPEQGNPDTLCMDYNRTDLTTAAPSPPRRLPPPPPPGEQPPSGSGHSRPPGARPPHRGGSSRGSGDAAAAPPSRGGKARPPGGGAAPCEPGCQCRAPMVSVSSERHPLYNRVKTGQIANCALPCHNPFFSQDERAFTVFWIGLWSVLCFVSTFATVSTFLIDMERFKYPERPIIFLSACYLFVSVGYLVRLVAGHEKVACSGGAPGAGGAGGAGGAAAAGAGAAGAGASSPGARGEYEELGAVEQHVRYETTGPALCTVVFLLVYFFGMASSIWWVILSLTWFLAAGMKWGNEAIAGYSQYFHLAAWLVPSVKSIAVLALSSVDGDPVAGICYVGNQSLDNLRGFVLAPLVIYLFIGTMFLLAGFVSLFRIRSVIKQQGGPTKTHKLEKLMIRLGLFTVLYTVPAAVVVACLFYEQHNRPRWEATHNCPCLRDLQPDQARRPDYAVFMLKYFMCLVVGITSGVWVWSGKTLESWRALCTRCCWASKGAAVGAGAGGSGPGGSGPGPGGGGGHGGGGGSLYSDVSTGLTWRSGTASSVSYPKQMPLSQV 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. (00:00:02)
[INFO] FoldX: Starting FoldX energy minimization (00:00:02)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:10:48)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/9f45f605c01013/tmp/folded.pdb (00:10:48)
[INFO] Main: Simulation completed successfully. (00:18:38)
|
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 | 0.7616 | |
| 2 | E | A | -0.0910 | |
| 3 | W | A | 1.2966 | |
| 4 | G | A | 1.0691 | |
| 5 | Y | A | 1.5724 | |
| 6 | L | A | 2.1952 | |
| 7 | L | A | 1.6893 | |
| 8 | E | A | 1.1526 | |
| 9 | V | A | 2.2522 | |
| 10 | T | A | 1.9249 | |
| 11 | S | A | 1.4603 | |
| 12 | L | A | 2.5926 | |
| 13 | L | A | 3.1716 | |
| 14 | A | A | 2.0771 | |
| 15 | A | A | 2.1088 | |
| 16 | L | A | 2.4782 | |
| 17 | A | A | 1.3721 | |
| 18 | V | A | 1.7784 | |
| 19 | L | A | 0.9889 | |
| 20 | Q | A | -1.0512 | |
| 21 | R | A | -1.7031 | |
| 22 | S | A | -1.0272 | |
| 23 | S | A | -1.1464 | |
| 24 | G | A | -1.4245 | |
| 25 | A | A | -0.8515 | |
| 26 | A | A | -0.2893 | |
| 27 | A | A | 0.0020 | |
| 28 | A | A | -0.1738 | |
| 29 | S | A | -0.7686 | |
| 30 | A | A | -1.2350 | |
| 31 | K | A | -2.4649 | |
| 32 | E | A | -2.5545 | |
| 33 | L | A | -1.3780 | |
| 34 | A | A | -0.6866 | |
| 35 | C | A | -0.5752 | |
| 36 | Q | A | -1.1083 | |
| 37 | E | A | -2.3097 | |
| 38 | I | A | 0.0000 | |
| 39 | T | A | -1.3879 | |
| 40 | V | A | 0.0000 | |
| 41 | P | A | -0.8914 | |
| 42 | L | A | 0.0000 | |
| 43 | C | A | 0.0000 | |
| 44 | K | A | -2.4182 | |
| 45 | G | A | -1.6657 | |
| 46 | I | A | 0.0000 | |
| 47 | G | A | -0.8879 | |
| 48 | Y | A | -0.9825 | |
| 49 | N | A | -1.9914 | |
| 50 | Y | A | -1.0081 | |
| 51 | T | A | 0.0000 | |
| 52 | Y | A | 0.0000 | |
| 53 | M | A | -1.1810 | |
| 54 | P | A | -1.5651 | |
| 55 | N | A | 0.0000 | |
| 56 | Q | A | -1.7473 | |
| 57 | F | A | -1.2084 | |
| 58 | N | A | -2.1455 | |
| 59 | H | A | 0.0000 | |
| 60 | D | A | -2.7103 | |
| 61 | T | A | -1.9631 | |
| 62 | Q | A | 0.0000 | |
| 63 | D | A | -2.1886 | |
| 64 | E | A | -1.9655 | |
| 65 | A | A | 0.0000 | |
| 66 | G | A | 0.0000 | |
| 67 | L | A | 0.1997 | |
| 68 | E | A | -0.5254 | |
| 69 | V | A | 0.0000 | |
| 70 | H | A | -0.4246 | |
| 71 | Q | A | -1.0265 | |
| 72 | F | A | 0.0000 | |
| 73 | W | A | -0.5068 | |
| 74 | P | A | -0.4644 | |
| 75 | L | A | -0.1997 | |
| 76 | V | A | 0.0000 | |
| 77 | E | A | -1.2002 | |
| 78 | I | A | 0.6673 | |
| 79 | Q | A | -0.8852 | |
| 80 | C | A | -0.2885 | |
| 81 | S | A | 0.0000 | |
| 82 | P | A | -0.5641 | |
| 83 | D | A | 0.0000 | |
| 84 | L | A | 0.0000 | |
| 85 | K | A | -0.9027 | |
| 86 | F | A | 0.0000 | |
| 87 | F | A | 0.0000 | |
| 88 | L | A | 0.0000 | |
| 89 | C | A | 0.0000 | |
| 90 | S | A | 0.0000 | |
| 91 | M | A | 0.0000 | |
| 92 | Y | A | 0.0000 | |
| 93 | T | A | 0.0000 | |
| 94 | P | A | 0.0000 | |
| 95 | I | A | 0.3459 | |
| 96 | C | A | -0.7085 | |
| 97 | L | A | -0.9714 | |
| 98 | E | A | -2.4441 | |
| 99 | D | A | -2.8645 | |
| 100 | Y | A | -2.0516 | |
| 101 | K | A | -3.0704 | |
| 102 | K | A | -2.1836 | |
| 103 | P | A | -1.1562 | |
| 104 | L | A | 0.0000 | |
| 105 | P | A | -0.3976 | |
| 106 | P | A | 0.0000 | |
| 107 | C | A | 0.0000 | |
| 108 | R | A | -2.2827 | |
| 109 | S | A | -1.6014 | |
| 110 | V | A | 0.0000 | |
| 111 | C | A | 0.0000 | |
| 112 | E | A | -2.3830 | |
| 113 | R | A | -1.5641 | |
| 114 | A | A | 0.0000 | |
| 115 | K | A | -1.2259 | |
| 116 | A | A | -0.8636 | |
| 117 | G | A | -0.7664 | |
| 118 | C | A | 0.0000 | |
| 119 | A | A | 0.0000 | |
| 120 | P | A | -0.5870 | |
| 121 | L | A | -0.0214 | |
| 122 | M | A | 0.0000 | |
| 123 | R | A | -1.0724 | |
| 124 | Q | A | -0.9992 | |
| 125 | Y | A | 0.6459 | |
| 126 | G | A | 0.2115 | |
| 127 | F | A | 1.3551 | |
| 128 | A | A | -0.0041 | |
| 129 | W | A | -0.5412 | |
| 130 | P | A | -0.8369 | |
| 131 | D | A | -2.6200 | |
| 132 | R | A | -1.8653 | |
| 133 | M | A | 0.0000 | |
| 134 | R | A | -2.8190 | |
| 135 | C | A | 0.0000 | |
| 136 | D | A | -2.5526 | |
| 137 | R | A | -2.8337 | |
| 138 | L | A | 0.0000 | |
| 139 | P | A | -1.5566 | |
| 140 | E | A | -2.0644 | |
| 141 | Q | A | -1.9144 | |
| 142 | G | A | -1.5402 | |
| 143 | N | A | -1.6564 | |
| 144 | P | A | -1.4401 | |
| 145 | D | A | -1.8056 | |
| 146 | T | A | -0.9387 | |
| 147 | L | A | 0.3562 | |
| 148 | C | A | 0.0000 | |
| 149 | M | A | -0.1678 | |
| 150 | D | A | -0.9512 | |
| 151 | Y | A | -0.5373 | |
| 152 | N | A | -1.5976 | |
| 153 | R | A | -1.4120 | |
| 154 | T | A | -1.1784 | |
| 155 | D | A | -1.5434 | |
| 156 | L | A | 0.3075 | |
| 157 | T | A | 0.0196 | |
| 158 | T | A | 0.0870 | |
| 159 | A | A | 0.2213 | |
| 160 | A | A | 0.0575 | |
| 161 | P | A | -0.4277 | |
| 162 | S | A | -0.7944 | |
| 163 | P | A | -1.2728 | |
| 164 | P | A | -1.6606 | |
| 165 | R | A | -2.5445 | |
| 166 | R | A | -2.1920 | |
| 167 | L | A | -0.1584 | |
| 168 | P | A | -0.4504 | |
| 169 | P | A | -0.4749 | |
| 170 | P | A | -0.4323 | |
| 171 | P | A | -0.9379 | |
| 172 | P | A | -0.9783 | |
| 173 | P | A | -1.2323 | |
| 174 | G | A | -1.9128 | |
| 175 | E | A | -2.8370 | |
| 176 | Q | A | -2.4287 | |
| 177 | P | A | -1.5289 | |
| 178 | P | A | -1.0586 | |
| 179 | S | A | -0.8100 | |
| 180 | G | A | -0.8731 | |
| 181 | S | A | -0.9644 | |
| 182 | G | A | -1.2196 | |
| 183 | H | A | -1.7485 | |
| 184 | S | A | -1.7681 | |
| 185 | R | A | -2.3290 | |
| 186 | P | A | -1.4053 | |
| 187 | P | A | -0.9962 | |
| 188 | G | A | -0.9763 | |
| 189 | A | A | -1.1836 | |
| 190 | R | A | -2.0808 | |
| 191 | P | A | -1.4639 | |
| 192 | P | A | -1.6042 | |
| 193 | H | A | -2.1504 | |
| 194 | R | A | -2.7241 | |
| 195 | G | A | -1.9673 | |
| 196 | G | A | -1.2253 | |
| 197 | S | A | -1.0717 | |
| 198 | S | A | -1.4747 | |
| 199 | R | A | -2.2722 | |
| 200 | G | A | -1.5963 | |
| 201 | S | A | -1.4192 | |
| 202 | G | A | -1.5131 | |
| 203 | D | A | -2.0170 | |
| 204 | A | A | -0.8669 | |
| 205 | A | A | -0.2175 | |
| 206 | A | A | 0.0750 | |
| 207 | A | A | -0.0740 | |
| 208 | P | A | -0.3997 | |
| 209 | P | A | -0.8443 | |
| 210 | S | A | -1.4405 | |
| 211 | R | A | -2.3343 | |
| 212 | G | A | -2.0054 | |
| 213 | G | A | -2.1998 | |
| 214 | K | A | -2.4943 | |
| 215 | A | A | -1.9137 | |
| 216 | R | A | -2.5639 | |
| 217 | P | A | -1.6425 | |
| 218 | P | A | -1.2285 | |
| 219 | G | A | -1.2997 | |
| 220 | G | A | -0.9888 | |
| 221 | G | A | -0.8304 | |
| 222 | A | A | -0.2795 | |
| 223 | A | A | -0.3255 | |
| 224 | P | A | -0.4646 | |
| 225 | C | A | -0.2963 | |
| 226 | E | A | -1.7200 | |
| 227 | P | A | -1.0440 | |
| 228 | G | A | -0.9401 | |
| 229 | C | A | -1.1132 | |
| 230 | Q | A | -1.6459 | |
| 231 | C | A | -1.2667 | |
| 232 | R | A | -1.3183 | |
| 233 | A | A | -0.6323 | |
| 234 | P | A | -0.3696 | |
| 235 | M | A | 0.0000 | |
| 236 | V | A | -0.5737 | |
| 237 | S | A | -0.6996 | |
| 238 | V | A | 0.0000 | |
| 239 | S | A | -1.0827 | |
| 240 | S | A | -1.7010 | |
| 241 | E | A | -2.9645 | |
| 242 | R | A | -3.1279 | |
| 243 | H | A | -1.9365 | |
| 244 | P | A | -1.6998 | |
| 245 | L | A | 0.0000 | |
| 246 | Y | A | -1.8815 | |
| 247 | N | A | -1.7650 | |
| 248 | R | A | -2.3528 | |
| 249 | V | A | 0.0000 | |
| 250 | K | A | -2.2098 | |
| 251 | T | A | 0.0000 | |
| 252 | G | A | -1.6468 | |
| 253 | Q | A | -1.9210 | |
| 254 | I | A | 0.0000 | |
| 255 | A | A | -1.5377 | |
| 256 | N | A | -1.5332 | |
| 257 | C | A | 0.0000 | |
| 258 | A | A | 0.0000 | |
| 259 | L | A | -0.1693 | |
| 260 | P | A | -0.5897 | |
| 261 | C | A | 0.0000 | |
| 262 | H | A | -0.7930 | |
| 263 | N | A | 0.0000 | |
| 264 | P | A | -0.2606 | |
| 265 | F | A | -0.3553 | |
| 266 | F | A | 0.0000 | |
| 267 | S | A | -1.4627 | |
| 268 | Q | A | -2.3441 | |
| 269 | D | A | -2.4006 | |
| 270 | E | A | -1.1840 | |
| 271 | R | A | -0.8403 | |
| 272 | A | A | 0.0709 | |
| 273 | F | A | 1.0832 | |
| 274 | T | A | 0.0000 | |
| 275 | V | A | 2.3182 | |
| 276 | F | A | 3.0718 | |
| 277 | W | A | 1.9974 | |
| 278 | I | A | 0.0000 | |
| 279 | G | A | 2.2425 | |
| 280 | L | A | 1.9807 | |
| 281 | W | A | 1.6617 | |
| 282 | S | A | 0.0000 | |
| 283 | V | A | 2.4468 | |
| 284 | L | A | 2.4719 | |
| 285 | C | A | 0.0000 | |
| 286 | F | A | 2.7697 | |
| 287 | V | A | 3.1231 | |
| 288 | S | A | 2.2788 | |
| 289 | T | A | 0.0000 | |
| 290 | F | A | 2.5506 | |
| 291 | A | A | 1.8342 | |
| 292 | T | A | 0.0000 | |
| 293 | V | A | 1.2146 | |
| 294 | S | A | 1.2384 | |
| 295 | T | A | 0.0000 | |
| 296 | F | A | 0.0000 | |
| 297 | L | A | 1.6352 | |
| 298 | I | A | 1.1460 | |
| 299 | D | A | -0.0918 | |
| 300 | M | A | -0.5528 | |
| 301 | E | A | -2.0685 | |
| 302 | R | A | -1.8836 | |
| 303 | F | A | 0.0000 | |
| 304 | K | A | -2.2113 | |
| 305 | Y | A | 0.0000 | |
| 306 | P | A | 0.0000 | |
| 307 | E | A | -0.8700 | |
| 308 | R | A | -0.8766 | |
| 309 | P | A | 0.0000 | |
| 310 | I | A | 0.0000 | |
| 311 | I | A | 0.0000 | |
| 312 | F | A | 0.0000 | |
| 313 | L | A | 0.0000 | |
| 314 | S | A | 0.0000 | |
| 315 | A | A | 0.6622 | |
| 316 | C | A | 0.0000 | |
| 317 | Y | A | 0.0000 | |
| 318 | L | A | 1.6951 | |
| 319 | F | A | 1.4624 | |
| 320 | V | A | 0.0000 | |
| 321 | S | A | 0.0000 | |
| 322 | V | A | 1.3225 | |
| 323 | G | A | 0.0000 | |
| 324 | Y | A | 0.0000 | |
| 325 | L | A | 1.6665 | |
| 326 | V | A | 1.4225 | |
| 327 | R | A | 0.0000 | |
| 328 | L | A | 2.0206 | |
| 329 | V | A | 2.1395 | |
| 330 | A | A | 0.4210 | |
| 331 | G | A | -0.2924 | |
| 332 | H | A | -1.0384 | |
| 333 | E | A | -2.6758 | |
| 334 | K | A | -2.5654 | |
| 335 | V | A | 0.0000 | |
| 336 | A | A | 0.0000 | |
| 337 | C | A | 0.0000 | |
| 338 | S | A | -1.2647 | |
| 339 | G | A | -1.1534 | |
| 340 | G | A | -1.2237 | |
| 341 | A | A | -0.6391 | |
| 342 | P | A | -0.6719 | |
| 343 | G | A | -0.7630 | |
| 344 | A | A | -0.5886 | |
| 345 | G | A | -0.8584 | |
| 346 | G | A | -0.9797 | |
| 347 | A | A | -0.6491 | |
| 348 | G | A | -0.9426 | |
| 349 | G | A | -0.9053 | |
| 350 | A | A | -0.5981 | |
| 351 | G | A | -0.8422 | |
| 352 | G | A | -0.6963 | |
| 353 | A | A | -0.2297 | |
| 354 | A | A | 0.0269 | |
| 355 | A | A | 0.0286 | |
| 356 | A | A | -0.1135 | |
| 357 | G | A | -0.5059 | |
| 358 | A | A | -0.3650 | |
| 359 | G | A | -0.5058 | |
| 360 | A | A | -0.2132 | |
| 361 | A | A | -0.2777 | |
| 362 | G | A | -0.5166 | |
| 363 | A | A | -0.3834 | |
| 364 | G | A | -0.5806 | |
| 365 | A | A | -0.3844 | |
| 366 | S | A | -0.5077 | |
| 367 | S | A | -0.5482 | |
| 368 | P | A | -1.0214 | |
| 369 | G | A | -1.2015 | |
| 370 | A | A | -1.4569 | |
| 371 | R | A | -2.7339 | |
| 372 | G | A | -2.6921 | |
| 373 | E | A | -2.6565 | |
| 374 | Y | A | -1.1630 | |
| 375 | E | A | -2.6459 | |
| 376 | E | A | -2.2099 | |
| 377 | L | A | -0.1401 | |
| 378 | G | A | -0.7304 | |
| 379 | A | A | -0.7166 | |
| 380 | V | A | -0.4142 | |
| 381 | E | A | -1.9865 | |
| 382 | Q | A | -1.7196 | |
| 383 | H | A | 0.0000 | |
| 384 | V | A | 0.0000 | |
| 385 | R | A | 0.0000 | |
| 386 | Y | A | -0.3654 | |
| 387 | E | A | -0.3628 | |
| 388 | T | A | -0.0785 | |
| 389 | T | A | -0.4647 | |
| 390 | G | A | -0.7738 | |
| 391 | P | A | -0.5870 | |
| 392 | A | A | 0.1234 | |
| 393 | L | A | 0.1223 | |
| 394 | C | A | 0.0000 | |
| 395 | T | A | 0.4265 | |
| 396 | V | A | 0.8176 | |
| 397 | V | A | 0.0000 | |
| 398 | F | A | 0.0000 | |
| 399 | L | A | 1.1096 | |
| 400 | L | A | 0.9946 | |
| 401 | V | A | 0.0000 | |
| 402 | Y | A | 0.0000 | |
| 403 | F | A | 1.1144 | |
| 404 | F | A | 0.6906 | |
| 405 | G | A | 0.3451 | |
| 406 | M | A | 0.0000 | |
| 407 | A | A | 0.0000 | |
| 408 | S | A | 0.0000 | |
| 409 | S | A | 0.0000 | |
| 410 | I | A | 0.0000 | |
| 411 | W | A | 0.0000 | |
| 412 | W | A | 0.0000 | |
| 413 | V | A | 1.0053 | |
| 414 | I | A | 0.0000 | |
| 415 | L | A | 0.0000 | |
| 416 | S | A | 0.0000 | |
| 417 | L | A | 0.6667 | |
| 418 | T | A | 0.0000 | |
| 419 | W | A | 0.0000 | |
| 420 | F | A | 0.9640 | |
| 421 | L | A | 0.0000 | |
| 422 | A | A | -0.2203 | |
| 423 | A | A | 0.0000 | |
| 424 | G | A | 0.3937 | |
| 425 | M | A | -0.0494 | |
| 426 | K | A | -1.3422 | |
| 427 | W | A | -0.8194 | |
| 428 | G | A | -1.3921 | |
| 429 | N | A | -2.1252 | |
| 430 | E | A | -2.2743 | |
| 431 | A | A | -1.1308 | |
| 432 | I | A | 0.0000 | |
| 433 | A | A | -1.0041 | |
| 434 | G | A | -0.4081 | |
| 435 | Y | A | 0.9442 | |
| 436 | S | A | 0.4608 | |
| 437 | Q | A | 0.5966 | |
| 438 | Y | A | 1.6397 | |
| 439 | F | A | 0.0000 | |
| 440 | H | A | 0.9714 | |
| 441 | L | A | 2.0617 | |
| 442 | A | A | 1.4588 | |
| 443 | A | A | 0.0000 | |
| 444 | W | A | 1.5610 | |
| 445 | L | A | 2.4228 | |
| 446 | V | A | 2.0115 | |
| 447 | P | A | 0.0000 | |
| 448 | S | A | 2.0017 | |
| 449 | V | A | 2.8992 | |
| 450 | K | A | 1.6147 | |
| 451 | S | A | 0.0000 | |
| 452 | I | A | 2.9340 | |
| 453 | A | A | 1.9111 | |
| 454 | V | A | 0.0000 | |
| 455 | L | A | 1.7233 | |
| 456 | A | A | 1.5026 | |
| 457 | L | A | 1.8933 | |
| 458 | S | A | 0.9411 | |
| 459 | S | A | 0.4714 | |
| 460 | V | A | 0.0000 | |
| 461 | D | A | 0.0000 | |
| 462 | G | A | 0.0000 | |
| 463 | D | A | 0.0000 | |
| 464 | P | A | 0.0000 | |
| 465 | V | A | 0.1538 | |
| 466 | A | A | 0.0000 | |
| 467 | G | A | 0.0000 | |
| 468 | I | A | 0.0000 | |
| 469 | C | A | 0.0000 | |
| 470 | Y | A | 0.1766 | |
| 471 | V | A | 0.0000 | |
| 472 | G | A | 0.0000 | |
| 473 | N | A | -0.2222 | |
| 474 | Q | A | -0.6562 | |
| 475 | S | A | -1.0643 | |
| 476 | L | A | -1.2761 | |
| 477 | D | A | -2.2323 | |
| 478 | N | A | -1.2799 | |
| 479 | L | A | 0.0000 | |
| 480 | R | A | -1.7612 | |
| 481 | G | A | -1.2334 | |
| 482 | F | A | -0.5571 | |
| 483 | V | A | 0.0000 | |
| 484 | L | A | 0.0000 | |
| 485 | A | A | 0.4220 | |
| 486 | P | A | 0.0000 | |
| 487 | L | A | 1.4192 | |
| 488 | V | A | 2.3378 | |
| 489 | I | A | 3.0136 | |
| 490 | Y | A | 2.2669 | |
| 491 | L | A | 2.3381 | |
| 492 | F | A | 3.4122 | |
| 493 | I | A | 2.6091 | |
| 494 | G | A | 0.0000 | |
| 495 | T | A | 2.0366 | |
| 496 | M | A | 2.1605 | |
| 497 | F | A | 1.9867 | |
| 498 | L | A | 0.0000 | |
| 499 | L | A | 2.4270 | |
| 500 | A | A | 1.9738 | |
| 501 | G | A | 0.0000 | |
| 502 | F | A | 2.3626 | |
| 503 | V | A | 2.4335 | |
| 504 | S | A | 1.1172 | |
| 505 | L | A | 1.4816 | |
| 506 | F | A | 1.9227 | |
| 507 | R | A | -0.0027 | |
| 508 | I | A | 0.5724 | |
| 509 | R | A | -0.2989 | |
| 510 | S | A | -0.4894 | |
| 511 | V | A | 0.0855 | |
| 512 | I | A | -0.6506 | |
| 513 | K | A | -2.2367 | |
| 514 | Q | A | -2.2455 | |
| 515 | Q | A | -2.2403 | |
| 516 | G | A | -1.8819 | |
| 517 | G | A | -1.5420 | |
| 518 | P | A | -1.3606 | |
| 519 | T | A | -1.6783 | |
| 520 | K | A | -2.3826 | |
| 521 | T | A | -1.8674 | |
| 522 | H | A | -2.5277 | |
| 523 | K | A | -2.5309 | |
| 524 | L | A | -0.5061 | |
| 525 | E | A | -1.4055 | |
| 526 | K | A | -2.0371 | |
| 527 | L | A | -0.5850 | |
| 528 | M | A | 0.0000 | |
| 529 | I | A | 0.7173 | |
| 530 | R | A | -0.2538 | |
| 531 | L | A | 0.0000 | |
| 532 | G | A | 0.0000 | |
| 533 | L | A | 1.9771 | |
| 534 | F | A | 0.0000 | |
| 535 | T | A | 0.0000 | |
| 536 | V | A | 2.1619 | |
| 537 | L | A | 2.0554 | |
| 538 | Y | A | 0.0000 | |
| 539 | T | A | 1.4646 | |
| 540 | V | A | 2.3152 | |
| 541 | P | A | 0.0000 | |
| 542 | A | A | 1.0687 | |
| 543 | A | A | 1.2644 | |
| 544 | V | A | 1.1383 | |
| 545 | V | A | 0.9787 | |
| 546 | V | A | 0.0000 | |
| 547 | A | A | 0.5975 | |
| 548 | C | A | 0.0000 | |
| 549 | L | A | 0.0000 | |
| 550 | F | A | 0.3515 | |
| 551 | Y | A | 0.0678 | |
| 552 | E | A | -0.3743 | |
| 553 | Q | A | -0.7817 | |
| 554 | H | A | -1.0506 | |
| 555 | N | A | -1.4484 | |
| 556 | R | A | 0.0000 | |
| 557 | P | A | -1.2950 | |
| 558 | R | A | -1.9042 | |
| 559 | W | A | 0.0000 | |
| 560 | E | A | -1.2154 | |
| 561 | A | A | -1.0570 | |
| 562 | T | A | 0.0000 | |
| 563 | H | A | -0.9307 | |
| 564 | N | A | 0.0000 | |
| 565 | C | A | 0.0000 | |
| 566 | P | A | -0.6382 | |
| 567 | C | A | -0.2268 | |
| 568 | L | A | 0.3249 | |
| 569 | R | A | -1.2368 | |
| 570 | D | A | -1.4882 | |
| 571 | L | A | 0.3947 | |
| 572 | Q | A | -1.0835 | |
| 573 | P | A | -1.7437 | |
| 574 | D | A | -3.0546 | |
| 575 | Q | A | -2.9337 | |
| 576 | A | A | 0.0000 | |
| 577 | R | A | -2.9805 | |
| 578 | R | A | -2.3616 | |
| 579 | P | A | 0.0000 | |
| 580 | D | A | -1.5382 | |
| 581 | Y | A | -0.3513 | |
| 582 | A | A | 0.0425 | |
| 583 | V | A | 0.3097 | |
| 584 | F | A | 0.3518 | |
| 585 | M | A | 0.0000 | |
| 586 | L | A | 0.8998 | |
| 587 | K | A | 0.4700 | |
| 588 | Y | A | 0.0000 | |
| 589 | F | A | 0.8752 | |
| 590 | M | A | 0.9884 | |
| 591 | C | A | 0.5180 | |
| 592 | L | A | 0.0000 | |
| 593 | V | A | 0.7129 | |
| 594 | V | A | 0.0000 | |
| 595 | G | A | 0.0000 | |
| 596 | I | A | 1.4619 | |
| 597 | T | A | 0.9087 | |
| 598 | S | A | 0.0000 | |
| 599 | G | A | 0.0000 | |
| 600 | V | A | 2.2214 | |
| 601 | W | A | 0.0000 | |
| 602 | V | A | 0.0000 | |
| 603 | W | A | 1.6155 | |
| 604 | S | A | 0.0637 | |
| 605 | G | A | -1.0219 | |
| 606 | K | A | -2.0024 | |
| 607 | T | A | 0.0000 | |
| 608 | L | A | -0.4870 | |
| 609 | E | A | -2.3043 | |
| 610 | S | A | 0.0000 | |
| 611 | W | A | -0.6715 | |
| 612 | R | A | -1.9256 | |
| 613 | A | A | -0.9016 | |
| 614 | L | A | 0.0801 | |
| 615 | C | A | 0.1433 | |
| 616 | T | A | -0.1987 | |
| 617 | R | A | -1.0176 | |
| 618 | C | A | 0.2033 | |
| 619 | C | A | 0.4128 | |
| 620 | W | A | 0.3325 | |
| 621 | A | A | -0.2584 | |
| 622 | S | A | -0.4463 | |
| 623 | K | A | -1.1591 | |
| 624 | G | A | -0.3616 | |
| 625 | A | A | -0.2067 | |
| 626 | A | A | 0.0602 | |
| 627 | V | A | 0.8763 | |
| 628 | G | A | -0.0853 | |
| 629 | A | A | 0.0514 | |
| 630 | G | A | -0.2127 | |
| 631 | A | A | -0.2978 | |
| 632 | G | A | -0.8935 | |
| 633 | G | A | -0.9560 | |
| 634 | S | A | -0.8231 | |
| 635 | G | A | -0.8830 | |
| 636 | P | A | -0.8414 | |
| 637 | G | A | -0.9495 | |
| 638 | G | A | -0.9471 | |
| 639 | S | A | -0.8145 | |
| 640 | G | A | -0.8855 | |
| 641 | P | A | -0.7981 | |
| 642 | G | A | -0.8989 | |
| 643 | P | A | -0.8455 | |
| 644 | G | A | -1.0116 | |
| 645 | G | A | -1.1053 | |
| 646 | G | A | -1.1515 | |
| 647 | G | A | -1.2273 | |
| 648 | G | A | -1.3710 | |
| 649 | H | A | -1.6389 | |
| 650 | G | A | -1.3794 | |
| 651 | G | A | -1.2296 | |
| 652 | G | A | -1.1264 | |
| 653 | G | A | -1.0740 | |
| 654 | G | A | -0.5353 | |
| 655 | S | A | 0.4741 | |
| 656 | L | A | 1.7431 | |
| 657 | Y | A | 1.6465 | |
| 658 | S | A | 0.2532 | |
| 659 | D | A | -0.5899 | |
| 660 | V | A | 0.8363 | |
| 661 | S | A | 0.1862 | |
| 662 | T | A | 0.0970 | |
| 663 | G | A | 0.5263 | |
| 664 | L | A | 1.3467 | |
| 665 | T | A | 0.6521 | |
| 666 | W | A | 0.4769 | |
| 667 | R | A | -1.3371 | |
| 668 | S | A | -1.0729 | |
| 669 | G | A | -0.9136 | |
| 670 | T | A | -0.3569 | |
| 671 | A | A | -0.2290 | |
| 672 | S | A | 0.0732 | |
| 673 | S | A | 0.6447 | |
| 674 | V | A | 1.8245 | |
| 675 | S | A | 1.1812 | |
| 676 | Y | A | 1.1414 | |
| 677 | P | A | -0.7704 | |
| 678 | K | A | -1.9190 | |
| 679 | Q | A | -1.4686 | |
| 680 | M | A | 0.0815 | |
| 681 | P | A | 0.4635 | |
| 682 | L | A | 1.5529 | |
| 683 | S | A | 0.5226 | |
| 684 | Q | A | 0.0803 | |
| 685 | V | A | 1.5238 |
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 | 0.1827 | 6.2015 | View | CSV | PDB |
| 4.5 | 0.1399 | 6.2015 | View | CSV | PDB |
| 5.0 | 0.0878 | 6.2015 | View | CSV | PDB |
| 5.5 | 0.0359 | 6.2015 | View | CSV | PDB |
| 6.0 | -0.0063 | 6.2015 | View | CSV | PDB |
| 6.5 | -0.0322 | 6.2015 | View | CSV | PDB |
| 7.0 | -0.0411 | 6.2015 | View | CSV | PDB |
| 7.5 | -0.0386 | 6.2015 | View | CSV | PDB |
| 8.0 | -0.0298 | 6.2015 | View | CSV | PDB |
| 8.5 | -0.0164 | 6.2014 | View | CSV | PDB |
| 9.0 | 0.0025 | 6.2012 | 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