| Chain sequence(s) | MIEEGGNKRKTMAEKRQLFIEMRAQNFDVIRLSTYRTACKLRFVQKRCNLHLVDIWNMIEAFRDNGLNTLDHSTEISVSRLETVISSIYYQLNKRLPSTHQISVEQSISLLLNFMVAAYDSEGRGKLTVFSVKAMLATMCGGKMLDKLRYIFSQMSDSNGLMMFGKLDQFLKEALKLPTAVFEGPSFGYTEHAVRTCFPQQKKIMLNMFLDTMMADPPPQCLVWLPLMHRLAHVENVFHPVECSYCHCESMMGFRYRCQQCHNYQLCQNCFWRGHASGAHSNQHQMKEHSSWKSPAKKLSHAISKSLGCVPSREPPHPVFPEQPEKPLDLAHLVPPRPLTNMNDTVVSHMSSGVPTPTKRLQYSQDMPNLLADEHALIASYVARLQHCTRVLDSPSRLDEEHRLIARYAARLAAEAGNMTRPPTDASFNFDANKQQRQLIAELENKNREILQEIQRLRLEHEQASQPTPEKAQQNPMLLAELRLLRQRKDELEQRMSALQESRRELMVQLEGLMKLLKAQATGSPHTSPTHGGGRPMPMPVRSTSAGSTPTHGPQDSLSGVGGDVQEAFAQGTRRNLRNDLLVAADSITNTMSSLVKELHSGAEAEEQAGTEKTREGLPPRGTFLSVFLLHTWTKLAGCQTHSTSRERSQAYGKWGGTA 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] (00:00:02)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:02)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with A chain(s) selected (00:00:02)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:02)
[INFO] PDB-Info: The input structure is partially or entirely disordered. Average score is
recommended for pH analysis. (00:00:11)
[INFO] FoldX: Starting FoldX energy minimization (00:00:11)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:41:07)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/3af6862da7603/tmp/folded.pdb (00:41:07)
[INFO] Main: Simulation completed successfully. (00:50:40)
|
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 | 0.8271 | |
| 2 | I | A | 0.8119 | |
| 3 | E | A | -2.3367 | |
| 4 | E | A | -3.2645 | |
| 5 | G | A | -2.5088 | |
| 6 | G | A | -3.2208 | |
| 7 | N | A | -4.2544 | |
| 8 | K | A | -4.6452 | |
| 9 | R | A | -4.6536 | |
| 10 | K | A | -4.2763 | |
| 11 | T | A | -3.3302 | |
| 12 | M | A | -2.8779 | |
| 13 | A | A | -2.8553 | |
| 14 | E | A | -3.5225 | |
| 15 | K | A | -2.9559 | |
| 16 | R | A | -2.5163 | |
| 17 | Q | A | -1.7579 | |
| 18 | L | A | 0.0000 | |
| 19 | F | A | -0.0955 | |
| 20 | I | A | 0.5142 | |
| 21 | E | A | -0.3998 | |
| 22 | M | A | 0.0000 | |
| 23 | R | A | -1.4288 | |
| 24 | A | A | -0.9928 | |
| 25 | Q | A | -1.6029 | |
| 26 | N | A | -2.2012 | |
| 27 | F | A | -1.5809 | |
| 28 | D | A | -1.8939 | |
| 29 | V | A | -1.2715 | |
| 30 | I | A | 0.0000 | |
| 31 | R | A | -1.9635 | |
| 32 | L | A | -0.6399 | |
| 33 | S | A | -0.4614 | |
| 34 | T | A | -0.2240 | |
| 35 | Y | A | -0.0396 | |
| 36 | R | A | -0.6861 | |
| 37 | T | A | 0.0000 | |
| 38 | A | A | 0.0000 | |
| 39 | C | A | 0.0000 | |
| 40 | K | A | 0.0000 | |
| 41 | L | A | 0.0000 | |
| 42 | R | A | -0.4583 | |
| 43 | F | A | -0.4587 | |
| 44 | V | A | 0.0000 | |
| 45 | Q | A | 0.0000 | |
| 46 | K | A | -1.2553 | |
| 47 | R | A | -1.1514 | |
| 48 | C | A | 0.0000 | |
| 49 | N | A | -0.7360 | |
| 50 | L | A | 0.0000 | |
| 51 | H | A | -0.6532 | |
| 52 | L | A | -0.1240 | |
| 53 | V | A | 0.0000 | |
| 54 | D | A | -0.8785 | |
| 55 | I | A | 0.0000 | |
| 56 | W | A | 0.0515 | |
| 57 | N | A | -0.6207 | |
| 58 | M | A | 0.0000 | |
| 59 | I | A | -0.8602 | |
| 60 | E | A | -1.8540 | |
| 61 | A | A | 0.0000 | |
| 62 | F | A | 0.0000 | |
| 63 | R | A | -2.8601 | |
| 64 | D | A | -2.8819 | |
| 65 | N | A | -1.9508 | |
| 66 | G | A | -1.6382 | |
| 67 | L | A | 0.0000 | |
| 68 | N | A | -2.2794 | |
| 69 | T | A | -1.1642 | |
| 70 | L | A | -1.1642 | |
| 71 | D | A | -2.1867 | |
| 72 | H | A | -1.5574 | |
| 73 | S | A | -1.2620 | |
| 74 | T | A | -1.6398 | |
| 75 | E | A | -2.4644 | |
| 76 | I | A | 0.0000 | |
| 77 | S | A | -1.4131 | |
| 78 | V | A | -0.8998 | |
| 79 | S | A | -0.9793 | |
| 80 | R | A | -1.5219 | |
| 81 | L | A | 0.0000 | |
| 82 | E | A | -1.3877 | |
| 83 | T | A | -0.9352 | |
| 84 | V | A | 0.0000 | |
| 85 | I | A | 0.0000 | |
| 86 | S | A | -0.5825 | |
| 87 | S | A | -0.4912 | |
| 88 | I | A | 0.0000 | |
| 89 | Y | A | 0.0000 | |
| 90 | Y | A | -0.3859 | |
| 91 | Q | A | -1.3900 | |
| 92 | L | A | 0.0000 | |
| 93 | N | A | -2.0665 | |
| 94 | K | A | -2.5242 | |
| 95 | R | A | -2.7447 | |
| 96 | L | A | -1.7996 | |
| 97 | P | A | -1.3732 | |
| 98 | S | A | -1.2580 | |
| 99 | T | A | -0.7647 | |
| 100 | H | A | -1.4417 | |
| 101 | Q | A | -1.6421 | |
| 102 | I | A | 0.0000 | |
| 103 | S | A | -1.3382 | |
| 104 | V | A | -1.2648 | |
| 105 | E | A | -2.1308 | |
| 106 | Q | A | -2.0057 | |
| 107 | S | A | 0.0000 | |
| 108 | I | A | 0.0000 | |
| 109 | S | A | -1.4441 | |
| 110 | L | A | 0.0000 | |
| 111 | L | A | 0.0000 | |
| 112 | L | A | -0.3198 | |
| 113 | N | A | -0.9732 | |
| 114 | F | A | 0.0000 | |
| 115 | M | A | 0.0000 | |
| 116 | V | A | -0.3167 | |
| 117 | A | A | -0.5746 | |
| 118 | A | A | 0.0000 | |
| 119 | Y | A | 0.0000 | |
| 120 | D | A | -1.3733 | |
| 121 | S | A | -1.5711 | |
| 122 | E | A | -2.6148 | |
| 123 | G | A | -2.1031 | |
| 124 | R | A | -2.1927 | |
| 125 | G | A | -1.6932 | |
| 126 | K | A | -2.3339 | |
| 127 | L | A | 0.0000 | |
| 128 | T | A | -1.3974 | |
| 129 | V | A | 0.0000 | |
| 130 | F | A | 0.0000 | |
| 131 | S | A | 0.0000 | |
| 132 | V | A | 0.0000 | |
| 133 | K | A | 0.0000 | |
| 134 | A | A | 0.0000 | |
| 135 | M | A | 0.0000 | |
| 136 | L | A | 0.0000 | |
| 137 | A | A | 0.0000 | |
| 138 | T | A | 0.0000 | |
| 139 | M | A | 0.0000 | |
| 140 | C | A | 0.0000 | |
| 141 | G | A | 0.0000 | |
| 142 | G | A | -1.3826 | |
| 143 | K | A | -1.9612 | |
| 144 | M | A | -0.9683 | |
| 145 | L | A | -0.5849 | |
| 146 | D | A | -0.8986 | |
| 147 | K | A | 0.0000 | |
| 148 | L | A | 0.0000 | |
| 149 | R | A | -0.6747 | |
| 150 | Y | A | -0.2492 | |
| 151 | I | A | 0.0000 | |
| 152 | F | A | 0.0000 | |
| 153 | S | A | -0.5055 | |
| 154 | Q | A | -0.4613 | |
| 155 | M | A | 0.0000 | |
| 156 | S | A | -0.4549 | |
| 157 | D | A | -1.0124 | |
| 158 | S | A | -1.2503 | |
| 159 | N | A | -2.0076 | |
| 160 | G | A | -1.4873 | |
| 161 | L | A | -0.7835 | |
| 162 | M | A | 0.0000 | |
| 163 | M | A | -0.0425 | |
| 164 | F | A | -0.4628 | |
| 165 | G | A | -0.5942 | |
| 166 | K | A | -0.8678 | |
| 167 | L | A | 0.0000 | |
| 168 | D | A | -1.4060 | |
| 169 | Q | A | -1.1143 | |
| 170 | F | A | 0.0000 | |
| 171 | L | A | 0.0000 | |
| 172 | K | A | -1.1871 | |
| 173 | E | A | 0.0000 | |
| 174 | A | A | 0.0000 | |
| 175 | L | A | 0.0000 | |
| 176 | K | A | -0.3726 | |
| 177 | L | A | 0.0000 | |
| 178 | P | A | 0.0000 | |
| 179 | T | A | 0.3746 | |
| 180 | A | A | 0.5175 | |
| 181 | V | A | 0.0000 | |
| 182 | F | A | 1.6694 | |
| 183 | E | A | 0.0000 | |
| 184 | G | A | 0.2371 | |
| 185 | P | A | -0.0338 | |
| 186 | S | A | -0.1091 | |
| 187 | F | A | 0.0000 | |
| 188 | G | A | -0.2901 | |
| 189 | Y | A | -0.5057 | |
| 190 | T | A | -1.3543 | |
| 191 | E | A | -2.5941 | |
| 192 | H | A | -2.4655 | |
| 193 | A | A | 0.0000 | |
| 194 | V | A | -1.5314 | |
| 195 | R | A | -2.9063 | |
| 196 | T | A | -1.7798 | |
| 197 | C | A | 0.0000 | |
| 198 | F | A | 0.0000 | |
| 199 | P | A | -2.1461 | |
| 200 | Q | A | -3.0145 | |
| 201 | Q | A | -3.2677 | |
| 202 | K | A | -3.4031 | |
| 203 | K | A | -2.6895 | |
| 204 | I | A | 0.0000 | |
| 205 | M | A | -0.5161 | |
| 206 | L | A | 0.0398 | |
| 207 | N | A | -0.0099 | |
| 208 | M | A | -0.0645 | |
| 209 | F | A | 0.0000 | |
| 210 | L | A | 0.0000 | |
| 211 | D | A | -1.1874 | |
| 212 | T | A | -0.7700 | |
| 213 | M | A | 0.0000 | |
| 214 | M | A | -0.6410 | |
| 215 | A | A | -1.2651 | |
| 216 | D | A | -2.0311 | |
| 217 | P | A | -1.4906 | |
| 218 | P | A | -1.1275 | |
| 219 | P | A | -0.8092 | |
| 220 | Q | A | -1.1840 | |
| 221 | C | A | -0.4216 | |
| 222 | L | A | 0.0000 | |
| 223 | V | A | -0.4299 | |
| 224 | W | A | 0.0000 | |
| 225 | L | A | 0.0000 | |
| 226 | P | A | 0.0000 | |
| 227 | L | A | 0.0000 | |
| 228 | M | A | 0.0000 | |
| 229 | H | A | 0.0000 | |
| 230 | R | A | -1.5258 | |
| 231 | L | A | 0.0000 | |
| 232 | A | A | -1.3689 | |
| 233 | H | A | -1.8479 | |
| 234 | V | A | 0.0000 | |
| 235 | E | A | -1.2948 | |
| 236 | N | A | -1.1405 | |
| 237 | V | A | 0.2491 | |
| 238 | F | A | 1.4760 | |
| 239 | H | A | 0.0000 | |
| 240 | P | A | -0.2234 | |
| 241 | V | A | -0.8382 | |
| 242 | E | A | -2.2206 | |
| 243 | C | A | 0.0000 | |
| 244 | S | A | -0.7324 | |
| 245 | Y | A | 0.3123 | |
| 246 | C | A | -0.0798 | |
| 247 | H | A | -1.3068 | |
| 248 | C | A | -1.2901 | |
| 249 | E | A | -2.5278 | |
| 250 | S | A | -0.9979 | |
| 251 | M | A | 0.0000 | |
| 252 | M | A | 0.9513 | |
| 253 | G | A | 0.0000 | |
| 254 | F | A | 0.0000 | |
| 255 | R | A | -0.6229 | |
| 256 | Y | A | 0.0000 | |
| 257 | R | A | -2.4665 | |
| 258 | C | A | 0.0000 | |
| 259 | Q | A | -3.0269 | |
| 260 | Q | A | -2.4948 | |
| 261 | C | A | -1.8734 | |
| 262 | H | A | -2.1040 | |
| 263 | N | A | -2.1353 | |
| 264 | Y | A | -1.4750 | |
| 265 | Q | A | 0.0000 | |
| 266 | L | A | 0.0000 | |
| 267 | C | A | 0.0000 | |
| 268 | Q | A | -0.7737 | |
| 269 | N | A | -1.3301 | |
| 270 | C | A | 0.0000 | |
| 271 | F | A | -0.9689 | |
| 272 | W | A | 0.0000 | |
| 273 | R | A | -1.8326 | |
| 274 | G | A | -1.5002 | |
| 275 | H | A | -0.6881 | |
| 276 | A | A | -0.4078 | |
| 277 | S | A | -0.2340 | |
| 278 | G | A | -0.3921 | |
| 279 | A | A | -0.3801 | |
| 280 | H | A | 0.0000 | |
| 281 | S | A | -1.5310 | |
| 282 | N | A | -2.1497 | |
| 283 | Q | A | -2.2325 | |
| 284 | H | A | -2.4728 | |
| 285 | Q | A | -2.8896 | |
| 286 | M | A | -2.4979 | |
| 287 | K | A | -2.7852 | |
| 288 | E | A | -1.7691 | |
| 289 | H | A | -1.1494 | |
| 290 | S | A | -0.6960 | |
| 291 | S | A | -0.5836 | |
| 292 | W | A | -0.2682 | |
| 293 | K | A | -2.1997 | |
| 294 | S | A | -1.5709 | |
| 295 | P | A | -1.2158 | |
| 296 | A | A | -1.0497 | |
| 297 | K | A | -1.9461 | |
| 298 | K | A | -1.8179 | |
| 299 | L | A | 0.4074 | |
| 300 | S | A | -0.2137 | |
| 301 | H | A | -0.9587 | |
| 302 | A | A | -0.0498 | |
| 303 | I | A | 1.3362 | |
| 304 | S | A | 0.2444 | |
| 305 | K | A | -0.6795 | |
| 306 | S | A | 0.2259 | |
| 307 | L | A | 1.5513 | |
| 308 | G | A | 0.6418 | |
| 309 | C | A | 1.3682 | |
| 310 | V | A | 1.5716 | |
| 311 | P | A | -0.1762 | |
| 312 | S | A | -1.2240 | |
| 313 | R | A | -2.7293 | |
| 314 | E | A | -2.7647 | |
| 315 | P | A | -1.5045 | |
| 316 | P | A | -1.0214 | |
| 317 | H | A | 0.0000 | |
| 318 | P | A | 0.3290 | |
| 319 | V | A | 1.1559 | |
| 320 | F | A | 0.2762 | |
| 321 | P | A | -1.3325 | |
| 322 | E | A | -2.6012 | |
| 323 | Q | A | -3.1941 | |
| 324 | P | A | -2.4961 | |
| 325 | E | A | -3.1375 | |
| 326 | K | A | -2.7866 | |
| 327 | P | A | -1.0758 | |
| 328 | L | A | 0.2802 | |
| 329 | D | A | -0.6584 | |
| 330 | L | A | 1.4564 | |
| 331 | A | A | 0.6224 | |
| 332 | H | A | 0.0684 | |
| 333 | L | A | 1.3674 | |
| 334 | V | A | 1.7876 | |
| 335 | P | A | 0.0057 | |
| 336 | P | A | -0.6573 | |
| 337 | R | A | -1.5094 | |
| 338 | P | A | -0.6771 | |
| 339 | L | A | 0.6461 | |
| 340 | T | A | -0.1056 | |
| 341 | N | A | -0.9508 | |
| 342 | M | A | -0.4179 | |
| 343 | N | A | -2.0082 | |
| 344 | D | A | -1.7539 | |
| 345 | T | A | -0.0166 | |
| 346 | V | A | 2.2448 | |
| 347 | V | A | 2.2047 | |
| 348 | S | A | 0.7768 | |
| 349 | H | A | -0.2250 | |
| 350 | M | A | 0.3184 | |
| 351 | S | A | -0.1289 | |
| 352 | S | A | 0.0496 | |
| 353 | G | A | 0.2787 | |
| 354 | V | A | 1.3417 | |
| 355 | P | A | 0.4159 | |
| 356 | T | A | -0.1931 | |
| 357 | P | A | -0.9629 | |
| 358 | T | A | -1.4271 | |
| 359 | K | A | -2.5897 | |
| 360 | R | A | -2.2363 | |
| 361 | L | A | -0.0491 | |
| 362 | Q | A | -0.6103 | |
| 363 | Y | A | 0.3305 | |
| 364 | S | A | -0.7206 | |
| 365 | Q | A | -1.9401 | |
| 366 | D | A | -1.9343 | |
| 367 | M | A | -0.2996 | |
| 368 | P | A | -0.2274 | |
| 369 | N | A | 0.0904 | |
| 370 | L | A | 1.5522 | |
| 371 | L | A | 1.2113 | |
| 372 | A | A | -0.2727 | |
| 373 | D | A | -1.7906 | |
| 374 | E | A | -1.8919 | |
| 375 | H | A | -1.0991 | |
| 376 | A | A | 0.1894 | |
| 377 | L | A | 1.7835 | |
| 378 | I | A | 2.4415 | |
| 379 | A | A | 1.8476 | |
| 380 | S | A | 1.6500 | |
| 381 | Y | A | 2.5567 | |
| 382 | V | A | 2.6404 | |
| 383 | A | A | 0.7113 | |
| 384 | R | A | -0.5798 | |
| 385 | L | A | 0.3808 | |
| 386 | Q | A | -0.8407 | |
| 387 | H | A | -1.1128 | |
| 388 | C | A | -0.0051 | |
| 389 | T | A | -0.5692 | |
| 390 | R | A | -1.2703 | |
| 391 | V | A | 0.6960 | |
| 392 | L | A | 0.8211 | |
| 393 | D | A | -1.1172 | |
| 394 | S | A | -0.7550 | |
| 395 | P | A | -1.0374 | |
| 396 | S | A | -1.5784 | |
| 397 | R | A | -2.1789 | |
| 398 | L | A | -1.1683 | |
| 399 | D | A | -2.4919 | |
| 400 | E | A | -3.1909 | |
| 401 | E | A | -2.6008 | |
| 402 | H | A | -1.8587 | |
| 403 | R | A | -1.9444 | |
| 404 | L | A | -0.0986 | |
| 405 | I | A | 0.6754 | |
| 406 | A | A | -0.2882 | |
| 407 | R | A | -1.0404 | |
| 408 | Y | A | 0.9453 | |
| 409 | A | A | 0.4825 | |
| 410 | A | A | -0.3848 | |
| 411 | R | A | -1.4030 | |
| 412 | L | A | 0.1295 | |
| 413 | A | A | -0.5945 | |
| 414 | A | A | -1.1571 | |
| 415 | E | A | -2.0290 | |
| 416 | A | A | -0.9606 | |
| 417 | G | A | -1.2720 | |
| 418 | N | A | -1.8329 | |
| 419 | M | A | -0.5999 | |
| 420 | T | A | -0.9827 | |
| 421 | R | A | -1.9752 | |
| 422 | P | A | -1.3441 | |
| 423 | P | A | -1.2825 | |
| 424 | T | A | -1.1297 | |
| 425 | D | A | -1.7080 | |
| 426 | A | A | -0.4904 | |
| 427 | S | A | 0.0606 | |
| 428 | F | A | 0.9261 | |
| 429 | N | A | -0.5290 | |
| 430 | F | A | 0.3205 | |
| 431 | D | A | -1.6752 | |
| 432 | A | A | -2.0251 | |
| 433 | N | A | -2.9629 | |
| 434 | K | A | -3.7914 | |
| 435 | Q | A | -3.3259 | |
| 436 | Q | A | -3.2031 | |
| 437 | R | A | -3.5015 | |
| 438 | Q | A | -2.8833 | |
| 439 | L | A | -1.0558 | |
| 440 | I | A | -0.6789 | |
| 441 | A | A | -1.7528 | |
| 442 | E | A | -2.5402 | |
| 443 | L | A | -1.9740 | |
| 444 | E | A | -3.3457 | |
| 445 | N | A | -3.4527 | |
| 446 | K | A | -3.8674 | |
| 447 | N | A | -3.6598 | |
| 448 | R | A | -3.8651 | |
| 449 | E | A | -3.3506 | |
| 450 | I | A | -0.9252 | |
| 451 | L | A | -0.3766 | |
| 452 | Q | A | -2.1555 | |
| 453 | E | A | -1.1604 | |
| 454 | I | A | -0.1655 | |
| 455 | Q | A | -1.5384 | |
| 456 | R | A | -2.0480 | |
| 457 | L | A | -1.6804 | |
| 458 | R | A | -2.6818 | |
| 459 | L | A | -1.6752 | |
| 460 | E | A | -2.9674 | |
| 461 | H | A | -3.3510 | |
| 462 | E | A | -3.5824 | |
| 463 | Q | A | -3.0925 | |
| 464 | A | A | -2.4652 | |
| 465 | S | A | -2.1391 | |
| 466 | Q | A | -2.2464 | |
| 467 | P | A | -1.4713 | |
| 468 | T | A | -1.6110 | |
| 469 | P | A | -1.8683 | |
| 470 | E | A | -3.0680 | |
| 471 | K | A | -3.0927 | |
| 472 | A | A | -2.3091 | |
| 473 | Q | A | -2.8671 | |
| 474 | Q | A | -2.5357 | |
| 475 | N | A | -1.2449 | |
| 476 | P | A | -0.4163 | |
| 477 | M | A | 0.5933 | |
| 478 | L | A | 0.6652 | |
| 479 | L | A | 0.0449 | |
| 480 | A | A | -0.2828 | |
| 481 | E | A | -1.0611 | |
| 482 | L | A | -0.8334 | |
| 483 | R | A | -2.2632 | |
| 484 | L | A | -1.2567 | |
| 485 | L | A | -2.1856 | |
| 486 | R | A | -4.1757 | |
| 487 | Q | A | -4.4834 | |
| 488 | R | A | -4.6962 | |
| 489 | K | A | -5.3710 | |
| 490 | D | A | -5.5450 | |
| 491 | E | A | -5.3225 | |
| 492 | L | A | -3.7639 | |
| 493 | E | A | -4.2229 | |
| 494 | Q | A | -3.9174 | |
| 495 | R | A | -3.2054 | |
| 496 | M | A | -1.4786 | |
| 497 | S | A | -1.9399 | |
| 498 | A | A | -1.7675 | |
| 499 | L | A | -1.3780 | |
| 500 | Q | A | -2.9500 | |
| 501 | E | A | -3.7116 | |
| 502 | S | A | -2.4930 | |
| 503 | R | A | -3.4847 | |
| 504 | R | A | -3.5999 | |
| 505 | E | A | -3.0421 | |
| 506 | L | A | -1.3845 | |
| 507 | M | A | -0.7018 | |
| 508 | V | A | -0.0151 | |
| 509 | Q | A | -1.1397 | |
| 510 | L | A | -0.1903 | |
| 511 | E | A | -1.2452 | |
| 512 | G | A | -0.8454 | |
| 513 | L | A | -0.2180 | |
| 514 | M | A | -0.5664 | |
| 515 | K | A | -2.1109 | |
| 516 | L | A | -0.6367 | |
| 517 | L | A | -0.6713 | |
| 518 | K | A | -1.9847 | |
| 519 | A | A | -1.3473 | |
| 520 | Q | A | -1.7417 | |
| 521 | A | A | -1.2145 | |
| 522 | T | A | -1.0457 | |
| 523 | G | A | -1.3709 | |
| 524 | S | A | -1.0563 | |
| 525 | P | A | -1.0090 | |
| 526 | H | A | -1.3370 | |
| 527 | T | A | -0.8199 | |
| 528 | S | A | -0.6573 | |
| 529 | P | A | -0.7767 | |
| 530 | T | A | -0.8175 | |
| 531 | H | A | -1.4575 | |
| 532 | G | A | -1.3359 | |
| 533 | G | A | -1.5720 | |
| 534 | G | A | -1.8813 | |
| 535 | R | A | -2.0765 | |
| 536 | P | A | -0.7795 | |
| 537 | M | A | 0.6740 | |
| 538 | P | A | 0.6591 | |
| 539 | M | A | 1.2645 | |
| 540 | P | A | 0.8159 | |
| 541 | V | A | 0.9682 | |
| 542 | R | A | -1.0716 | |
| 543 | S | A | -0.8233 | |
| 544 | T | A | -0.7391 | |
| 545 | S | A | -0.3752 | |
| 546 | A | A | -0.3681 | |
| 547 | G | A | -0.6028 | |
| 548 | S | A | -0.5093 | |
| 549 | T | A | -0.4028 | |
| 550 | P | A | -0.6094 | |
| 551 | T | A | -0.7309 | |
| 552 | H | A | -1.4038 | |
| 553 | G | A | -1.3809 | |
| 554 | P | A | -1.6222 | |
| 555 | Q | A | -2.2742 | |
| 556 | D | A | -2.2075 | |
| 557 | S | A | -0.8864 | |
| 558 | L | A | 0.9354 | |
| 559 | S | A | 0.1112 | |
| 560 | G | A | 0.4353 | |
| 561 | V | A | 1.4310 | |
| 562 | G | A | -0.1245 | |
| 563 | G | A | -1.1192 | |
| 564 | D | A | -1.7016 | |
| 565 | V | A | 0.3106 | |
| 566 | Q | A | -1.3774 | |
| 567 | E | A | -2.0764 | |
| 568 | A | A | -0.2694 | |
| 569 | F | A | 0.5908 | |
| 570 | A | A | -0.4037 | |
| 571 | Q | A | -1.6191 | |
| 572 | G | A | -1.4675 | |
| 573 | T | A | -1.8776 | |
| 574 | R | A | -2.9252 | |
| 575 | R | A | -3.5372 | |
| 576 | N | A | -2.8499 | |
| 577 | L | A | -0.6359 | |
| 578 | R | A | -1.2786 | |
| 579 | N | A | -1.3486 | |
| 580 | D | A | -0.6144 | |
| 581 | L | A | 0.8274 | |
| 582 | L | A | 1.0867 | |
| 583 | V | A | 1.5735 | |
| 584 | A | A | 0.8474 | |
| 585 | A | A | 0.6160 | |
| 586 | D | A | -0.5301 | |
| 587 | S | A | 0.3708 | |
| 588 | I | A | 1.4906 | |
| 589 | T | A | 0.0997 | |
| 590 | N | A | -0.8384 | |
| 591 | T | A | 0.2075 | |
| 592 | M | A | 0.6832 | |
| 593 | S | A | 0.0496 | |
| 594 | S | A | -0.2326 | |
| 595 | L | A | 0.3597 | |
| 596 | V | A | 0.0569 | |
| 597 | K | A | -1.7756 | |
| 598 | E | A | -1.7183 | |
| 599 | L | A | -0.2020 | |
| 600 | H | A | -1.6496 | |
| 601 | S | A | -2.0103 | |
| 602 | G | A | -2.0997 | |
| 603 | A | A | -2.3982 | |
| 604 | E | A | -3.4187 | |
| 605 | A | A | -2.8301 | |
| 606 | E | A | -3.7410 | |
| 607 | E | A | -4.0170 | |
| 608 | Q | A | -3.1155 | |
| 609 | A | A | -2.0103 | |
| 610 | G | A | -2.1796 | |
| 611 | T | A | -1.9971 | |
| 612 | E | A | -2.8260 | |
| 613 | K | A | -3.1010 | |
| 614 | T | A | -2.6157 | |
| 615 | R | A | -3.2659 | |
| 616 | E | A | -2.6839 | |
| 617 | G | A | -1.0985 | |
| 618 | L | A | 0.5404 | |
| 619 | P | A | -0.2445 | |
| 620 | P | A | -0.9962 | |
| 621 | R | A | -1.3941 | |
| 622 | G | A | -0.5356 | |
| 623 | T | A | 0.7668 | |
| 624 | F | A | 2.5418 | |
| 625 | L | A | 2.8976 | |
| 626 | S | A | 2.2137 | |
| 627 | V | A | 2.8642 | |
| 628 | F | A | 2.9164 | |
| 629 | L | A | 2.7889 | |
| 630 | L | A | 2.4577 | |
| 631 | H | A | 0.9620 | |
| 632 | T | A | 1.0350 | |
| 633 | W | A | 1.6326 | |
| 634 | T | A | 0.3505 | |
| 635 | K | A | -0.7389 | |
| 636 | L | A | 0.7855 | |
| 637 | A | A | -0.4918 | |
| 638 | G | A | -0.6989 | |
| 639 | C | A | -0.3527 | |
| 640 | Q | A | -1.6876 | |
| 641 | T | A | -1.1000 | |
| 642 | H | A | -1.3926 | |
| 643 | S | A | -1.1534 | |
| 644 | T | A | -1.1071 | |
| 645 | S | A | -1.7331 | |
| 646 | R | A | -3.4489 | |
| 647 | E | A | -3.8796 | |
| 648 | R | A | -3.4806 | |
| 649 | S | A | -2.1470 | |
| 650 | Q | A | -1.3640 | |
| 651 | A | A | -0.0611 | |
| 652 | Y | A | 0.4814 | |
| 653 | G | A | -0.3768 | |
| 654 | K | A | -1.2163 | |
| 655 | W | A | -0.1201 | |
| 656 | G | A | -0.5056 | |
| 657 | G | A | -0.6495 | |
| 658 | T | A | -0.3625 | |
| 659 | A | A | -0.0768 |
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 | -0.759 | 4.8117 | View | CSV | PDB |
| 4.5 | -0.8392 | 4.8117 | View | CSV | PDB |
| 5.0 | -0.9395 | 4.8117 | View | CSV | PDB |
| 5.5 | -1.0388 | 4.8117 | View | CSV | PDB |
| 6.0 | -1.1166 | 4.8117 | View | CSV | PDB |
| 6.5 | -1.1612 | 4.8117 | View | CSV | PDB |
| 7.0 | -1.1723 | 4.8117 | View | CSV | PDB |
| 7.5 | -1.1602 | 4.8117 | View | CSV | PDB |
| 8.0 | -1.1358 | 4.8117 | View | CSV | PDB |
| 8.5 | -1.1032 | 4.8117 | View | CSV | PDB |
| 9.0 | -1.0622 | 4.8117 | 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