| Chain sequence(s) | MNEIDEKNQAPVQQECLKEMIQNGHARRMGSVEDLYVALNRQNLYRNFCTYGELSDYCTRDQLTLALREICLKNPTLLHIVLPTRWPNHENYYRSSEYYSRPHPVHDYISVLQELKLSGVVLNEQPEYSAVMKQILEEFKNSKGSYTAKIFKLTTTLTIPYFGPTGPSWRLICLPEEHTEKWKKFIFVSNHCMSDGRSSIHFFHDLRDELNNIKTPPKKLDYIFKYEEDYQLLRKLPEPIEKVIDFRPPYLFIPKSLLSGFIYNHLRFSSKGVCMRMDDVEKTDDVVTEIINISPTEFQAIKANIKSNIQGKCTITPFLHVCWFVSLHKWGKFFKPLNFEWLTDIFIPADCRSQLPDDDEMRQMYRYGANVGFIDFTPWISEFDMNDNKENFWPLIEHYHEVISEALRNKKHLHGLGFNIQGFVQKYVNIDKVMCDRAIGKRRGGTLLSNVGLFNQLEEPDAKYSICDLAFGQFQGSWHQAFSLGVCSTNVKGMNIVVASTKNVVGSQESLEELCSIYKALLLGP 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 globular. Max 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 (00:08:00)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/ddc3368d029eac/tmp/folded.pdb (00:08:00)
[INFO] Main: Simulation completed successfully. (00:10:29)
|
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 | 0.0926 | |
| 2 | N | A | -1.4999 | |
| 3 | E | A | -2.2972 | |
| 4 | I | A | -1.3473 | |
| 5 | D | A | -3.1184 | |
| 6 | E | A | -3.6334 | |
| 7 | K | A | -3.2621 | |
| 8 | N | A | -2.4407 | |
| 9 | Q | A | -1.6835 | |
| 10 | A | A | -0.7175 | |
| 11 | P | A | -0.6017 | |
| 12 | V | A | 0.9340 | |
| 13 | Q | A | -0.4069 | |
| 14 | Q | A | -2.0277 | |
| 15 | E | A | -2.4043 | |
| 16 | C | A | -1.5837 | |
| 17 | L | A | -1.7347 | |
| 18 | K | A | -3.1640 | |
| 19 | E | A | -2.9601 | |
| 20 | M | A | 0.0000 | |
| 21 | I | A | -1.4512 | |
| 22 | Q | A | -1.9295 | |
| 23 | N | A | -1.7779 | |
| 24 | G | A | -1.6843 | |
| 25 | H | A | 0.0000 | |
| 26 | A | A | 0.0000 | |
| 27 | R | A | -1.2049 | |
| 28 | R | A | -0.8234 | |
| 29 | M | A | 0.0000 | |
| 30 | G | A | 0.0000 | |
| 31 | S | A | -0.2006 | |
| 32 | V | A | 0.0000 | |
| 33 | E | A | 0.0000 | |
| 34 | D | A | 0.0000 | |
| 35 | L | A | 0.0000 | |
| 36 | Y | A | 0.0000 | |
| 37 | V | A | 0.0000 | |
| 38 | A | A | 0.0000 | |
| 39 | L | A | 0.1122 | |
| 40 | N | A | 0.0000 | |
| 41 | R | A | 0.0000 | |
| 42 | Q | A | 0.0000 | |
| 43 | N | A | -1.0344 | |
| 44 | L | A | 0.0000 | |
| 45 | Y | A | 0.0000 | |
| 46 | R | A | 0.0000 | |
| 47 | N | A | 0.0000 | |
| 48 | F | A | 0.0000 | |
| 49 | C | A | 0.0000 | |
| 50 | T | A | 0.0000 | |
| 51 | Y | A | 0.0000 | |
| 52 | G | A | 0.0000 | |
| 53 | E | A | -0.5039 | |
| 54 | L | A | 0.0000 | |
| 55 | S | A | -0.8841 | |
| 56 | D | A | -1.0482 | |
| 57 | Y | A | -1.0409 | |
| 58 | C | A | 0.0000 | |
| 59 | T | A | -1.3097 | |
| 60 | R | A | -1.6682 | |
| 61 | D | A | -1.9463 | |
| 62 | Q | A | -0.9213 | |
| 63 | L | A | 0.0000 | |
| 64 | T | A | 0.0000 | |
| 65 | L | A | -0.8847 | |
| 66 | A | A | 0.0000 | |
| 67 | L | A | 0.0000 | |
| 68 | R | A | -0.8994 | |
| 69 | E | A | -1.2238 | |
| 70 | I | A | 0.0000 | |
| 71 | C | A | 0.0000 | |
| 72 | L | A | -0.7878 | |
| 73 | K | A | -1.4590 | |
| 74 | N | A | 0.0000 | |
| 75 | P | A | 0.0000 | |
| 76 | T | A | 0.0000 | |
| 77 | L | A | 0.0000 | |
| 78 | L | A | 0.0000 | |
| 79 | H | A | 0.0000 | |
| 80 | I | A | 0.0000 | |
| 81 | V | A | 0.0000 | |
| 82 | L | A | 0.0020 | |
| 83 | P | A | -0.4725 | |
| 84 | T | A | -0.8189 | |
| 85 | R | A | -1.7582 | |
| 86 | W | A | -0.7768 | |
| 87 | P | A | -1.2367 | |
| 88 | N | A | -2.3038 | |
| 89 | H | A | -2.1471 | |
| 90 | E | A | -3.0668 | |
| 91 | N | A | -2.8233 | |
| 92 | Y | A | -2.0724 | |
| 93 | Y | A | 0.0000 | |
| 94 | R | A | -1.8883 | |
| 95 | S | A | -1.6673 | |
| 96 | S | A | -1.5971 | |
| 97 | E | A | -2.2521 | |
| 98 | Y | A | 0.0000 | |
| 99 | Y | A | -1.2165 | |
| 100 | S | A | -1.4999 | |
| 101 | R | A | -1.8133 | |
| 102 | P | A | -0.5654 | |
| 103 | H | A | -0.1448 | |
| 104 | P | A | 0.3929 | |
| 105 | V | A | 1.3207 | |
| 106 | H | A | 0.4276 | |
| 107 | D | A | 0.0000 | |
| 108 | Y | A | 0.0786 | |
| 109 | I | A | 0.0000 | |
| 110 | S | A | 0.0000 | |
| 111 | V | A | 0.0000 | |
| 112 | L | A | 0.0000 | |
| 113 | Q | A | -2.2528 | |
| 114 | E | A | -2.4429 | |
| 115 | L | A | 0.0000 | |
| 116 | K | A | -1.7576 | |
| 117 | L | A | 0.0000 | |
| 118 | S | A | -0.9464 | |
| 119 | G | A | -0.7349 | |
| 120 | V | A | 0.0000 | |
| 121 | V | A | 0.0000 | |
| 122 | L | A | 0.0000 | |
| 123 | N | A | -1.3408 | |
| 124 | E | A | -1.3245 | |
| 125 | Q | A | 0.0000 | |
| 126 | P | A | -1.4260 | |
| 127 | E | A | -2.0345 | |
| 128 | Y | A | -1.2653 | |
| 129 | S | A | -1.4558 | |
| 130 | A | A | -0.9286 | |
| 131 | V | A | -0.8906 | |
| 132 | M | A | 0.0000 | |
| 133 | K | A | -2.4260 | |
| 134 | Q | A | -2.1893 | |
| 135 | I | A | 0.0000 | |
| 136 | L | A | -1.9314 | |
| 137 | E | A | -3.1962 | |
| 138 | E | A | -2.7687 | |
| 139 | F | A | 0.0000 | |
| 140 | K | A | -3.0944 | |
| 141 | N | A | -2.8455 | |
| 142 | S | A | -2.2455 | |
| 143 | K | A | -2.7504 | |
| 144 | G | A | 0.0000 | |
| 145 | S | A | -1.0164 | |
| 146 | Y | A | -0.5211 | |
| 147 | T | A | -0.5329 | |
| 148 | A | A | -0.7609 | |
| 149 | K | A | -1.5946 | |
| 150 | I | A | 0.0000 | |
| 151 | F | A | 0.0000 | |
| 152 | K | A | -0.8580 | |
| 153 | L | A | 0.0000 | |
| 154 | T | A | 0.0000 | |
| 155 | T | A | 0.0000 | |
| 156 | T | A | -0.3807 | |
| 157 | L | A | 0.0000 | |
| 158 | T | A | -0.1094 | |
| 159 | I | A | 0.0000 | |
| 160 | P | A | -0.1565 | |
| 161 | Y | A | 0.0000 | |
| 162 | F | A | 0.0000 | |
| 163 | G | A | -0.2232 | |
| 164 | P | A | -0.6935 | |
| 165 | T | A | -0.7836 | |
| 166 | G | A | 0.0000 | |
| 167 | P | A | 0.0000 | |
| 168 | S | A | 0.0000 | |
| 169 | W | A | 0.0000 | |
| 170 | R | A | 0.0000 | |
| 171 | L | A | 0.0000 | |
| 172 | I | A | 0.0000 | |
| 173 | C | A | 0.0000 | |
| 174 | L | A | 0.0000 | |
| 175 | P | A | -1.4244 | |
| 176 | E | A | -2.1802 | |
| 177 | E | A | -2.6879 | |
| 178 | H | A | -2.3553 | |
| 179 | T | A | -1.8823 | |
| 180 | E | A | -2.7801 | |
| 181 | K | A | -2.3315 | |
| 182 | W | A | 0.0000 | |
| 183 | K | A | -0.6825 | |
| 184 | K | A | 0.0000 | |
| 185 | F | A | 0.0000 | |
| 186 | I | A | 0.0000 | |
| 187 | F | A | 0.0000 | |
| 188 | V | A | 0.0000 | |
| 189 | S | A | 0.0000 | |
| 190 | N | A | 0.0000 | |
| 191 | H | A | -0.0866 | |
| 192 | C | A | 0.0000 | |
| 193 | M | A | 0.0000 | |
| 194 | S | A | 0.0000 | |
| 195 | D | A | 0.0000 | |
| 196 | G | A | -0.4889 | |
| 197 | R | A | -0.9197 | |
| 198 | S | A | 0.0000 | |
| 199 | S | A | 0.0000 | |
| 200 | I | A | 0.0000 | |
| 201 | H | A | -0.5006 | |
| 202 | F | A | 0.0000 | |
| 203 | F | A | 0.0000 | |
| 204 | H | A | -0.5650 | |
| 205 | D | A | -0.9349 | |
| 206 | L | A | 0.0000 | |
| 207 | R | A | -1.3209 | |
| 208 | D | A | -1.6060 | |
| 209 | E | A | 0.0000 | |
| 210 | L | A | 0.0000 | |
| 211 | N | A | -2.0994 | |
| 212 | N | A | -2.0841 | |
| 213 | I | A | -1.2392 | |
| 214 | K | A | -1.9858 | |
| 215 | T | A | -1.2992 | |
| 216 | P | A | -1.2673 | |
| 217 | P | A | -1.7279 | |
| 218 | K | A | -2.8009 | |
| 219 | K | A | -3.0482 | |
| 220 | L | A | -2.1976 | |
| 221 | D | A | -2.4838 | |
| 222 | Y | A | -1.6243 | |
| 223 | I | A | 0.0000 | |
| 224 | F | A | 0.0000 | |
| 225 | K | A | -2.2924 | |
| 226 | Y | A | 0.0000 | |
| 227 | E | A | -3.0018 | |
| 228 | E | A | -2.4575 | |
| 229 | D | A | 0.0000 | |
| 230 | Y | A | -0.9148 | |
| 231 | Q | A | -0.9795 | |
| 232 | L | A | 0.3539 | |
| 233 | L | A | 0.0000 | |
| 234 | R | A | -1.7268 | |
| 235 | K | A | -2.3814 | |
| 236 | L | A | 0.0000 | |
| 237 | P | A | 0.0000 | |
| 238 | E | A | -2.5221 | |
| 239 | P | A | -1.5967 | |
| 240 | I | A | 0.0000 | |
| 241 | E | A | -1.9176 | |
| 242 | K | A | -2.4002 | |
| 243 | V | A | -1.2859 | |
| 244 | I | A | 0.0000 | |
| 245 | D | A | -2.8556 | |
| 246 | F | A | 0.0000 | |
| 247 | R | A | -2.3197 | |
| 248 | P | A | -0.9466 | |
| 249 | P | A | 0.3839 | |
| 250 | Y | A | 1.3920 | |
| 251 | L | A | 1.1482 | |
| 252 | F | A | 0.5055 | |
| 253 | I | A | 1.0064 | |
| 254 | P | A | 0.4065 | |
| 255 | K | A | -0.4115 | |
| 256 | S | A | 0.6417 | |
| 257 | L | A | 1.9344 | |
| 258 | L | A | 2.3946 | |
| 259 | S | A | 1.4476 | |
| 260 | G | A | 1.3961 | |
| 261 | F | A | 2.7555 | |
| 262 | I | A | 2.1226 | |
| 263 | Y | A | 0.8572 | |
| 264 | N | A | -0.8444 | |
| 265 | H | A | -0.3219 | |
| 266 | L | A | 0.5340 | |
| 267 | R | A | -0.1534 | |
| 268 | F | A | 0.0000 | |
| 269 | S | A | -1.5936 | |
| 270 | S | A | 0.0000 | |
| 271 | K | A | -2.1716 | |
| 272 | G | A | -1.4328 | |
| 273 | V | A | -0.8144 | |
| 274 | C | A | 0.0000 | |
| 275 | M | A | -0.5876 | |
| 276 | R | A | -1.2660 | |
| 277 | M | A | 0.0000 | |
| 278 | D | A | -2.6799 | |
| 279 | D | A | -3.2279 | |
| 280 | V | A | 0.0000 | |
| 281 | E | A | -3.7465 | |
| 282 | K | A | -3.6393 | |
| 283 | T | A | -2.7538 | |
| 284 | D | A | -2.7347 | |
| 285 | D | A | -2.0363 | |
| 286 | V | A | -1.0766 | |
| 287 | V | A | 0.0000 | |
| 288 | T | A | 0.0000 | |
| 289 | E | A | -1.1360 | |
| 290 | I | A | -0.5556 | |
| 291 | I | A | 0.0000 | |
| 292 | N | A | -1.5613 | |
| 293 | I | A | 0.0000 | |
| 294 | S | A | -1.0320 | |
| 295 | P | A | -1.0135 | |
| 296 | T | A | -0.8696 | |
| 297 | E | A | -1.0346 | |
| 298 | F | A | 0.0000 | |
| 299 | Q | A | -1.8688 | |
| 300 | A | A | -1.3049 | |
| 301 | I | A | 0.0000 | |
| 302 | K | A | -2.0039 | |
| 303 | A | A | -1.8508 | |
| 304 | N | A | -1.9194 | |
| 305 | I | A | 0.0000 | |
| 306 | K | A | -3.1539 | |
| 307 | S | A | -2.1264 | |
| 308 | N | A | -2.1946 | |
| 309 | I | A | 0.0000 | |
| 310 | Q | A | -2.5516 | |
| 311 | G | A | -2.3961 | |
| 312 | K | A | -2.5392 | |
| 313 | C | A | -2.0555 | |
| 314 | T | A | -0.8054 | |
| 315 | I | A | -0.0994 | |
| 316 | T | A | 0.0419 | |
| 317 | P | A | 0.0000 | |
| 318 | F | A | 0.0000 | |
| 319 | L | A | 0.0000 | |
| 320 | H | A | 0.0000 | |
| 321 | V | A | 0.0000 | |
| 322 | C | A | 0.0000 | |
| 323 | W | A | 0.0000 | |
| 324 | F | A | 0.0000 | |
| 325 | V | A | 0.0000 | |
| 326 | S | A | 0.0000 | |
| 327 | L | A | 0.0000 | |
| 328 | H | A | -2.0177 | |
| 329 | K | A | -2.3905 | |
| 330 | W | A | 0.0000 | |
| 331 | G | A | -2.1705 | |
| 332 | K | A | -2.5395 | |
| 333 | F | A | 0.0000 | |
| 334 | F | A | -1.4467 | |
| 335 | K | A | -1.7045 | |
| 336 | P | A | -0.1792 | |
| 337 | L | A | 0.7918 | |
| 338 | N | A | -0.0681 | |
| 339 | F | A | 1.4030 | |
| 340 | E | A | 0.5252 | |
| 341 | W | A | 0.9564 | |
| 342 | L | A | 0.0000 | |
| 343 | T | A | 0.0000 | |
| 344 | D | A | 0.0000 | |
| 345 | I | A | 0.0000 | |
| 346 | F | A | -0.0664 | |
| 347 | I | A | 0.0000 | |
| 348 | P | A | -0.0285 | |
| 349 | A | A | -0.1072 | |
| 350 | D | A | -0.3862 | |
| 351 | C | A | 0.0000 | |
| 352 | R | A | 0.0000 | |
| 353 | S | A | -0.7535 | |
| 354 | Q | A | -1.2312 | |
| 355 | L | A | 0.0000 | |
| 356 | P | A | -2.0437 | |
| 357 | D | A | -3.2998 | |
| 358 | D | A | -3.7922 | |
| 359 | D | A | -4.0912 | |
| 360 | E | A | -3.6483 | |
| 361 | M | A | -2.6850 | |
| 362 | R | A | -3.0972 | |
| 363 | Q | A | -2.3954 | |
| 364 | M | A | -1.8694 | |
| 365 | Y | A | 0.0000 | |
| 366 | R | A | -1.0648 | |
| 367 | Y | A | 0.0000 | |
| 368 | G | A | 0.0000 | |
| 369 | A | A | 0.0000 | |
| 370 | N | A | 0.0000 | |
| 371 | V | A | 0.0512 | |
| 372 | G | A | 0.0000 | |
| 373 | F | A | -0.1446 | |
| 374 | I | A | 0.0000 | |
| 375 | D | A | -1.5765 | |
| 376 | F | A | -0.3234 | |
| 377 | T | A | 0.0947 | |
| 378 | P | A | 0.0000 | |
| 379 | W | A | 0.8169 | |
| 380 | I | A | 0.0000 | |
| 381 | S | A | -0.3814 | |
| 382 | E | A | -0.9199 | |
| 383 | F | A | 0.0000 | |
| 384 | D | A | -2.7184 | |
| 385 | M | A | -3.4035 | |
| 386 | N | A | -3.3419 | |
| 387 | D | A | -3.9442 | |
| 388 | N | A | -4.4105 | |
| 389 | K | A | -4.3855 | |
| 390 | E | A | -3.8654 | |
| 391 | N | A | -3.5152 | |
| 392 | F | A | 0.0000 | |
| 393 | W | A | -1.5772 | |
| 394 | P | A | -1.4871 | |
| 395 | L | A | -1.3555 | |
| 396 | I | A | 0.0000 | |
| 397 | E | A | -2.4392 | |
| 398 | H | A | -1.7442 | |
| 399 | Y | A | 0.0000 | |
| 400 | H | A | -1.9123 | |
| 401 | E | A | -2.5691 | |
| 402 | V | A | -1.4017 | |
| 403 | I | A | 0.0000 | |
| 404 | S | A | -2.0374 | |
| 405 | E | A | -3.3109 | |
| 406 | A | A | 0.0000 | |
| 407 | L | A | -2.0262 | |
| 408 | R | A | -3.2756 | |
| 409 | N | A | -3.3494 | |
| 410 | K | A | -3.2681 | |
| 411 | K | A | -2.6916 | |
| 412 | H | A | 0.0000 | |
| 413 | L | A | 0.0000 | |
| 414 | H | A | -1.4396 | |
| 415 | G | A | -0.4962 | |
| 416 | L | A | -0.1366 | |
| 417 | G | A | 0.0000 | |
| 418 | F | A | 0.2460 | |
| 419 | N | A | 0.1339 | |
| 420 | I | A | -0.1334 | |
| 421 | Q | A | -0.1459 | |
| 422 | G | A | 0.3758 | |
| 423 | F | A | 1.5284 | |
| 424 | V | A | 0.9865 | |
| 425 | Q | A | 0.0000 | |
| 426 | K | A | -0.3667 | |
| 427 | Y | A | 0.9392 | |
| 428 | V | A | 0.6247 | |
| 429 | N | A | 0.0000 | |
| 430 | I | A | 0.0000 | |
| 431 | D | A | 0.0000 | |
| 432 | K | A | -1.4583 | |
| 433 | V | A | -1.0759 | |
| 434 | M | A | -1.0385 | |
| 435 | C | A | 0.0000 | |
| 436 | D | A | -2.7716 | |
| 437 | R | A | -2.8079 | |
| 438 | A | A | 0.0000 | |
| 439 | I | A | -0.9350 | |
| 440 | G | A | -1.3747 | |
| 441 | K | A | -2.2901 | |
| 442 | R | A | -2.5532 | |
| 443 | R | A | -1.6462 | |
| 444 | G | A | 0.0000 | |
| 445 | G | A | 0.0000 | |
| 446 | T | A | 0.0000 | |
| 447 | L | A | 0.1201 | |
| 448 | L | A | 0.0000 | |
| 449 | S | A | 0.0000 | |
| 450 | N | A | -0.1876 | |
| 451 | V | A | -0.1075 | |
| 452 | G | A | 0.0161 | |
| 453 | L | A | 0.2251 | |
| 454 | F | A | -0.0287 | |
| 455 | N | A | -0.8877 | |
| 456 | Q | A | 0.0000 | |
| 457 | L | A | -0.1690 | |
| 458 | E | A | -2.4055 | |
| 459 | E | A | -3.1840 | |
| 460 | P | A | -2.5206 | |
| 461 | D | A | -3.1544 | |
| 462 | A | A | -2.9058 | |
| 463 | K | A | -2.8795 | |
| 464 | Y | A | 0.0000 | |
| 465 | S | A | -1.0963 | |
| 466 | I | A | 0.0000 | |
| 467 | C | A | -0.2964 | |
| 468 | D | A | -0.4656 | |
| 469 | L | A | 0.0000 | |
| 470 | A | A | 0.0000 | |
| 471 | F | A | 0.0000 | |
| 472 | G | A | 0.0000 | |
| 473 | Q | A | -0.1440 | |
| 474 | F | A | 0.0000 | |
| 475 | Q | A | 0.0000 | |
| 476 | G | A | 0.0000 | |
| 477 | S | A | 0.0000 | |
| 478 | W | A | -0.0204 | |
| 479 | H | A | 0.0000 | |
| 480 | Q | A | 0.0000 | |
| 481 | A | A | 0.0000 | |
| 482 | F | A | 0.0000 | |
| 483 | S | A | 0.0000 | |
| 484 | L | A | 0.0000 | |
| 485 | G | A | 0.0000 | |
| 486 | V | A | 0.0000 | |
| 487 | C | A | 0.0000 | |
| 488 | S | A | 0.0000 | |
| 489 | T | A | 0.0000 | |
| 490 | N | A | -0.7864 | |
| 491 | V | A | -0.0044 | |
| 492 | K | A | -1.0840 | |
| 493 | G | A | 0.0000 | |
| 494 | M | A | 0.0000 | |
| 495 | N | A | 0.0000 | |
| 496 | I | A | 0.0000 | |
| 497 | V | A | 0.0000 | |
| 498 | V | A | 0.0000 | |
| 499 | A | A | 0.0000 | |
| 500 | S | A | 0.0000 | |
| 501 | T | A | 0.0000 | |
| 502 | K | A | -1.7669 | |
| 503 | N | A | -1.2369 | |
| 504 | V | A | -1.0314 | |
| 505 | V | A | 0.0000 | |
| 506 | G | A | -1.6738 | |
| 507 | S | A | -1.6418 | |
| 508 | Q | A | -2.0059 | |
| 509 | E | A | -2.8289 | |
| 510 | S | A | -2.2863 | |
| 511 | L | A | 0.0000 | |
| 512 | E | A | -2.4808 | |
| 513 | E | A | -2.3890 | |
| 514 | L | A | 0.0000 | |
| 515 | C | A | 0.0000 | |
| 516 | S | A | -0.9719 | |
| 517 | I | A | -0.6119 | |
| 518 | Y | A | 0.0000 | |
| 519 | K | A | -0.7020 | |
| 520 | A | A | -0.0634 | |
| 521 | L | A | 0.0000 | |
| 522 | L | A | 0.0000 | |
| 523 | L | A | 0.1028 | |
| 524 | G | A | -0.3770 | |
| 525 | P | A | -0.6085 |
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 | -0.6777 | 5.1152 | View | CSV | PDB |
| 4.5 | -0.7475 | 5.118 | View | CSV | PDB |
| 5.0 | -0.8338 | 5.1263 | View | CSV | PDB |
| 5.5 | -0.919 | 5.1476 | View | CSV | PDB |
| 6.0 | -0.9838 | 5.1899 | View | CSV | PDB |
| 6.5 | -1.0123 | 5.2459 | View | CSV | PDB |
| 7.0 | -1.003 | 5.2926 | View | CSV | PDB |
| 7.5 | -0.9687 | 5.3181 | View | CSV | PDB |
| 8.0 | -0.9215 | 5.3284 | View | CSV | PDB |
| 8.5 | -0.8665 | 5.3319 | View | CSV | PDB |
| 9.0 | -0.8041 | 5.3327 | 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