| Chain sequence(s) | GADGVGNASGNWHCDSTWLGDRVITTSTRTWALPTYNNHLYKQISSASTGASNDNHYFGYSTPWGYFDFNRFHCHFSPRDWQRLINNNWGFRPKRLNFKLFNIQVKEVTTNDGVTTIANNLTSTVQVFSDSEYQLPYVLGSAHQGCLPPFPADVFMIPQYGYLTLNNGSQAVGRSSFYCLEYFPSQMLRTGNNFTFSYTFEDVPFHSSYAHSQSLDRLMNPLIDQYLYYLNRTQNQSGSAQNKDLLFSRGSPAGMSVQPKNWLPGPCYRQQRVSKTKTDNNNSNFTWTGASKYNLNGRESIINPGTAMASHKDDKDKFFPMSGVMIFGKESAGASNTALDNVMITDEEEIKATNPVATERFGTVAVNLQSSSTDPATGDVHVMGALPGMVWQDRDVYLQGPIWAKIPHTDGHFHPSPLMGGFGLKHPPPQILIKNTPVPANPPAEFSATKFASFITQYSTGQVSVEIEWELQKENSKRWNPEVQYTSNYAKSANVDFTVDNNGLYTEPRPIGTRYLTRPL 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. (00:00:04)
[INFO] FoldX: Starting FoldX energy minimization (00:00:04)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:04:43)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/c7c0ff4a1b3fd3/tmp/folded.pdb (00:04:43)
[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 | |
| 15 | G | A | -0.9953 | |
| 16 | A | A | -1.1877 | |
| 17 | D | A | -1.8666 | |
| 18 | G | A | -1.0125 | |
| 19 | V | A | 0.4950 | |
| 20 | G | A | -0.5721 | |
| 21 | N | A | -1.5009 | |
| 22 | A | A | -1.0959 | |
| 23 | S | A | -1.1668 | |
| 24 | G | A | -1.1367 | |
| 25 | N | A | -1.1323 | |
| 26 | W | A | -0.3137 | |
| 27 | H | A | -1.2366 | |
| 28 | C | A | -1.0379 | |
| 29 | D | A | -1.7957 | |
| 30 | S | A | -0.7714 | |
| 31 | T | A | -0.0979 | |
| 32 | W | A | 0.1844 | |
| 33 | L | A | 0.4643 | |
| 34 | G | A | -0.8703 | |
| 35 | D | A | -1.9555 | |
| 36 | R | A | -1.1096 | |
| 37 | V | A | 0.0000 | |
| 38 | I | A | -0.1885 | |
| 39 | T | A | 0.0000 | |
| 40 | T | A | 0.0000 | |
| 41 | S | A | 0.0000 | |
| 42 | T | A | 0.0000 | |
| 43 | R | A | 0.0000 | |
| 44 | T | A | 0.3807 | |
| 45 | W | A | 0.0000 | |
| 46 | A | A | 0.6964 | |
| 47 | L | A | 0.0000 | |
| 48 | P | A | 0.0933 | |
| 49 | T | A | -0.2238 | |
| 50 | Y | A | -0.2032 | |
| 51 | N | A | -0.6728 | |
| 52 | N | A | -1.0307 | |
| 53 | H | A | -0.2882 | |
| 54 | L | A | 0.1778 | |
| 55 | Y | A | -0.2084 | |
| 56 | K | A | -1.2231 | |
| 57 | Q | A | -0.8981 | |
| 58 | I | A | 0.0921 | |
| 59 | S | A | -0.0371 | |
| 60 | S | A | 0.0000 | |
| 61 | A | A | -0.2928 | |
| 62 | S | A | -0.3778 | |
| 63 | T | A | -0.5757 | |
| 64 | G | A | -0.9054 | |
| 65 | A | A | -1.2074 | |
| 66 | S | A | -1.7076 | |
| 67 | N | A | -2.6468 | |
| 68 | D | A | -2.7358 | |
| 69 | N | A | -2.3882 | |
| 70 | H | A | -1.8636 | |
| 71 | Y | A | -0.1626 | |
| 72 | F | A | 0.3925 | |
| 73 | G | A | 0.0000 | |
| 74 | Y | A | 0.2338 | |
| 75 | S | A | -0.2238 | |
| 76 | T | A | 0.0000 | |
| 77 | P | A | 0.0000 | |
| 78 | W | A | 0.0000 | |
| 79 | G | A | 0.0000 | |
| 80 | Y | A | 0.0000 | |
| 81 | F | A | 0.0000 | |
| 82 | D | A | 0.0000 | |
| 83 | F | A | 0.0000 | |
| 84 | N | A | 0.0000 | |
| 85 | R | A | -0.6472 | |
| 86 | F | A | 0.0000 | |
| 87 | H | A | 0.0000 | |
| 88 | C | A | 0.0000 | |
| 89 | H | A | 0.0000 | |
| 90 | F | A | 0.0000 | |
| 91 | S | A | -0.9904 | |
| 92 | P | A | -1.3963 | |
| 93 | R | A | -2.3649 | |
| 94 | D | A | 0.0000 | |
| 95 | W | A | 0.0000 | |
| 96 | Q | A | -1.9859 | |
| 97 | R | A | -2.3477 | |
| 98 | L | A | 0.0000 | |
| 99 | I | A | 0.0000 | |
| 100 | N | A | -0.9939 | |
| 101 | N | A | -1.8448 | |
| 102 | N | A | 0.0000 | |
| 103 | W | A | -0.8189 | |
| 104 | G | A | 0.0000 | |
| 105 | F | A | 0.0000 | |
| 106 | R | A | -0.9367 | |
| 107 | P | A | 0.0000 | |
| 108 | K | A | -2.0265 | |
| 109 | R | A | -1.8725 | |
| 110 | L | A | 0.0000 | |
| 111 | N | A | -0.9696 | |
| 112 | F | A | 0.0000 | |
| 113 | K | A | -1.0234 | |
| 114 | L | A | 0.0000 | |
| 115 | F | A | 0.0000 | |
| 116 | N | A | -0.9536 | |
| 117 | I | A | 0.0000 | |
| 118 | Q | A | -0.9382 | |
| 119 | V | A | 0.0000 | |
| 120 | K | A | -0.5310 | |
| 121 | E | A | -0.0633 | |
| 122 | V | A | 0.4824 | |
| 123 | T | A | 0.2690 | |
| 124 | T | A | -0.4988 | |
| 125 | N | A | -1.7796 | |
| 126 | D | A | -2.1066 | |
| 127 | G | A | -0.9234 | |
| 128 | V | A | 0.5039 | |
| 129 | T | A | 0.4389 | |
| 130 | T | A | 0.7535 | |
| 131 | I | A | 1.0440 | |
| 132 | A | A | -0.0002 | |
| 133 | N | A | -1.0831 | |
| 134 | N | A | -0.6002 | |
| 135 | L | A | 0.3012 | |
| 136 | T | A | -0.0079 | |
| 137 | S | A | 0.0000 | |
| 138 | T | A | 0.0000 | |
| 139 | V | A | 0.0000 | |
| 140 | Q | A | -0.4467 | |
| 141 | V | A | 0.0000 | |
| 142 | F | A | 0.0000 | |
| 143 | S | A | -0.4433 | |
| 144 | D | A | 0.0000 | |
| 145 | S | A | -1.3101 | |
| 146 | E | A | -2.2527 | |
| 147 | Y | A | -1.3342 | |
| 148 | Q | A | -1.3794 | |
| 149 | L | A | 0.0000 | |
| 150 | P | A | 0.3979 | |
| 151 | Y | A | 0.0819 | |
| 152 | V | A | 0.3550 | |
| 153 | L | A | 0.0000 | |
| 154 | G | A | -0.2998 | |
| 155 | S | A | -0.4793 | |
| 156 | A | A | -0.6561 | |
| 157 | H | A | -1.1971 | |
| 158 | Q | A | -1.5951 | |
| 159 | G | A | -0.6347 | |
| 160 | C | A | -0.4362 | |
| 161 | L | A | 0.0000 | |
| 162 | P | A | -0.0517 | |
| 163 | P | A | -0.1101 | |
| 164 | F | A | 0.5236 | |
| 165 | P | A | 0.0050 | |
| 166 | A | A | -0.2159 | |
| 167 | D | A | -0.6894 | |
| 168 | V | A | 1.1817 | |
| 169 | F | A | 0.0000 | |
| 170 | M | A | 1.3488 | |
| 171 | I | A | 0.0000 | |
| 172 | P | A | -0.2386 | |
| 173 | Q | A | -0.2948 | |
| 174 | Y | A | 0.0000 | |
| 175 | G | A | 0.0032 | |
| 176 | Y | A | 0.0000 | |
| 177 | L | A | 1.9309 | |
| 178 | T | A | 1.1684 | |
| 179 | L | A | 0.1378 | |
| 180 | N | A | -0.7164 | |
| 181 | N | A | -1.8031 | |
| 182 | G | A | -1.7205 | |
| 183 | S | A | -1.1899 | |
| 184 | Q | A | -1.4166 | |
| 185 | A | A | -0.8203 | |
| 186 | V | A | -0.5551 | |
| 187 | G | A | -0.9571 | |
| 188 | R | A | -1.5982 | |
| 189 | S | A | -0.2529 | |
| 190 | S | A | 0.6280 | |
| 191 | F | A | 1.6165 | |
| 192 | Y | A | 1.1574 | |
| 193 | C | A | 0.8731 | |
| 194 | L | A | 0.0000 | |
| 195 | E | A | -0.1129 | |
| 196 | Y | A | 1.0673 | |
| 197 | F | A | 0.3059 | |
| 198 | P | A | -0.1860 | |
| 199 | S | A | -0.4642 | |
| 200 | Q | A | -1.0223 | |
| 201 | M | A | -0.0538 | |
| 202 | L | A | 0.0000 | |
| 203 | R | A | -1.5007 | |
| 204 | T | A | -1.0888 | |
| 205 | G | A | 0.0000 | |
| 206 | N | A | -1.3732 | |
| 207 | N | A | -1.2525 | |
| 208 | F | A | 0.0000 | |
| 209 | T | A | -0.5049 | |
| 210 | F | A | -0.1282 | |
| 211 | S | A | -0.5424 | |
| 212 | Y | A | -0.5225 | |
| 213 | T | A | -1.2570 | |
| 214 | F | A | 0.0000 | |
| 215 | E | A | -2.0698 | |
| 216 | D | A | -2.1695 | |
| 217 | V | A | 0.0000 | |
| 218 | P | A | -0.4153 | |
| 219 | F | A | 0.0396 | |
| 220 | H | A | 0.0000 | |
| 221 | S | A | -0.0928 | |
| 222 | S | A | 0.0000 | |
| 223 | Y | A | -0.3149 | |
| 224 | A | A | -0.5291 | |
| 225 | H | A | -0.8111 | |
| 226 | S | A | -0.8439 | |
| 227 | Q | A | -1.0017 | |
| 228 | S | A | -1.0951 | |
| 229 | L | A | 0.0000 | |
| 230 | D | A | -1.6054 | |
| 231 | R | A | -1.6093 | |
| 232 | L | A | -0.7334 | |
| 233 | M | A | -0.5217 | |
| 234 | N | A | -0.5383 | |
| 235 | P | A | 0.2014 | |
| 236 | L | A | 1.7112 | |
| 237 | I | A | 1.7615 | |
| 238 | D | A | -0.2688 | |
| 239 | Q | A | 0.1796 | |
| 240 | Y | A | 1.3952 | |
| 241 | L | A | 1.2360 | |
| 242 | Y | A | 2.1354 | |
| 243 | Y | A | 1.6133 | |
| 244 | L | A | 1.7673 | |
| 245 | N | A | 0.4327 | |
| 246 | R | A | -1.1199 | |
| 247 | T | A | -1.1941 | |
| 248 | Q | A | -2.6366 | |
| 249 | N | A | -2.6271 | |
| 250 | Q | A | -2.5862 | |
| 251 | S | A | -1.5842 | |
| 252 | G | A | -1.4321 | |
| 253 | S | A | -1.0334 | |
| 254 | A | A | -1.6448 | |
| 255 | Q | A | -2.9198 | |
| 256 | N | A | -3.3901 | |
| 257 | K | A | -3.1301 | |
| 258 | D | A | -1.6263 | |
| 259 | L | A | 1.1020 | |
| 260 | L | A | 1.1497 | |
| 261 | F | A | 2.4481 | |
| 262 | S | A | 1.0774 | |
| 263 | R | A | 0.2192 | |
| 264 | G | A | 0.0000 | |
| 265 | S | A | -0.0022 | |
| 266 | P | A | 0.2042 | |
| 267 | A | A | 0.0436 | |
| 268 | G | A | -0.1006 | |
| 269 | M | A | -0.1858 | |
| 270 | S | A | -0.1841 | |
| 271 | V | A | 0.6808 | |
| 272 | Q | A | 0.0000 | |
| 273 | P | A | -0.2945 | |
| 274 | K | A | -1.3871 | |
| 275 | N | A | -1.3431 | |
| 276 | W | A | 0.1252 | |
| 277 | L | A | 0.5025 | |
| 278 | P | A | 0.3516 | |
| 279 | G | A | 0.0000 | |
| 280 | P | A | 0.5885 | |
| 281 | C | A | 0.0000 | |
| 282 | Y | A | 0.4535 | |
| 283 | R | A | -0.8922 | |
| 284 | Q | A | 0.0000 | |
| 285 | Q | A | -1.3405 | |
| 286 | R | A | -1.6929 | |
| 287 | V | A | -1.5003 | |
| 288 | S | A | 0.0000 | |
| 289 | K | A | -1.8181 | |
| 290 | T | A | -1.8546 | |
| 291 | K | A | -2.8295 | |
| 292 | T | A | -2.3009 | |
| 293 | D | A | -2.9615 | |
| 294 | N | A | -2.8688 | |
| 295 | N | A | -2.8368 | |
| 296 | N | A | -2.7116 | |
| 297 | S | A | -1.7967 | |
| 298 | N | A | -1.6254 | |
| 299 | F | A | -0.6970 | |
| 300 | T | A | -0.0149 | |
| 301 | W | A | 0.3662 | |
| 302 | T | A | -0.0534 | |
| 303 | G | A | -0.4162 | |
| 304 | A | A | 0.0564 | |
| 305 | S | A | -0.1013 | |
| 306 | K | A | -0.0175 | |
| 307 | Y | A | 0.2643 | |
| 308 | N | A | -1.1232 | |
| 309 | L | A | -0.1415 | |
| 310 | N | A | -1.5540 | |
| 311 | G | A | -1.5990 | |
| 312 | R | A | -2.2219 | |
| 313 | E | A | -1.6578 | |
| 314 | S | A | -0.4756 | |
| 315 | I | A | 0.2949 | |
| 316 | I | A | 0.1646 | |
| 317 | N | A | -0.7633 | |
| 318 | P | A | 0.0000 | |
| 319 | G | A | 0.0000 | |
| 320 | T | A | 0.0980 | |
| 321 | A | A | 0.2038 | |
| 322 | M | A | 0.0000 | |
| 323 | A | A | 0.0000 | |
| 324 | S | A | 0.0000 | |
| 325 | H | A | 0.0000 | |
| 326 | K | A | -3.0764 | |
| 327 | D | A | -3.8493 | |
| 328 | D | A | -3.8074 | |
| 329 | K | A | -3.5812 | |
| 330 | D | A | -3.8239 | |
| 331 | K | A | -2.5586 | |
| 332 | F | A | -1.9762 | |
| 333 | F | A | -1.1120 | |
| 334 | P | A | 0.0000 | |
| 335 | M | A | -0.4448 | |
| 336 | S | A | -0.2884 | |
| 337 | G | A | 0.0000 | |
| 338 | V | A | 0.0000 | |
| 339 | M | A | 0.0000 | |
| 340 | I | A | 1.3710 | |
| 341 | F | A | 0.1958 | |
| 342 | G | A | -1.1990 | |
| 343 | K | A | -2.3067 | |
| 344 | E | A | -2.3888 | |
| 345 | S | A | -1.7753 | |
| 346 | A | A | -1.6603 | |
| 347 | G | A | -1.2605 | |
| 348 | A | A | -0.6178 | |
| 349 | S | A | -0.9434 | |
| 350 | N | A | -1.3921 | |
| 351 | T | A | -1.0787 | |
| 352 | A | A | -0.6947 | |
| 353 | L | A | -0.7989 | |
| 354 | D | A | -1.7392 | |
| 355 | N | A | -1.6082 | |
| 356 | V | A | -0.6888 | |
| 357 | M | A | 0.0000 | |
| 358 | I | A | 0.3453 | |
| 359 | T | A | 0.0000 | |
| 360 | D | A | -1.3134 | |
| 361 | E | A | 0.0000 | |
| 362 | E | A | -2.6877 | |
| 363 | E | A | -1.9988 | |
| 364 | I | A | 0.0000 | |
| 365 | K | A | -2.1176 | |
| 366 | A | A | -1.3313 | |
| 367 | T | A | 0.0000 | |
| 368 | N | A | 0.0000 | |
| 369 | P | A | -0.7418 | |
| 370 | V | A | -0.9700 | |
| 371 | A | A | 0.0000 | |
| 372 | T | A | -1.5115 | |
| 373 | E | A | -2.3851 | |
| 374 | R | A | -2.4224 | |
| 375 | F | A | -0.7509 | |
| 376 | G | A | -0.7946 | |
| 377 | T | A | -0.3525 | |
| 378 | V | A | 1.0483 | |
| 379 | A | A | 1.0446 | |
| 380 | V | A | 1.6471 | |
| 381 | N | A | 0.3958 | |
| 382 | L | A | 0.6122 | |
| 383 | Q | A | -1.2871 | |
| 384 | S | A | -1.1490 | |
| 385 | S | A | -1.2199 | |
| 386 | S | A | -1.0416 | |
| 387 | T | A | -1.4166 | |
| 388 | D | A | -2.3070 | |
| 389 | P | A | -1.1918 | |
| 390 | A | A | -0.0842 | |
| 391 | T | A | 0.2938 | |
| 392 | G | A | -0.2857 | |
| 393 | D | A | -1.7595 | |
| 394 | V | A | -0.7867 | |
| 395 | H | A | -0.8060 | |
| 396 | V | A | 1.1211 | |
| 397 | M | A | 0.7185 | |
| 398 | G | A | 0.3182 | |
| 399 | A | A | 0.4880 | |
| 400 | L | A | 0.7688 | |
| 401 | P | A | 0.2918 | |
| 402 | G | A | 0.1483 | |
| 403 | M | A | 0.6553 | |
| 404 | V | A | 0.9392 | |
| 405 | W | A | 0.2365 | |
| 406 | Q | A | -0.4633 | |
| 407 | D | A | -0.4459 | |
| 408 | R | A | 0.0000 | |
| 409 | D | A | 0.0000 | |
| 410 | V | A | 0.0000 | |
| 411 | Y | A | 0.0000 | |
| 412 | L | A | 0.0000 | |
| 413 | Q | A | 0.0000 | |
| 414 | G | A | 0.0000 | |
| 415 | P | A | 0.0000 | |
| 416 | I | A | 0.0000 | |
| 417 | W | A | 0.0000 | |
| 418 | A | A | -0.4208 | |
| 419 | K | A | -1.1910 | |
| 420 | I | A | -1.2633 | |
| 421 | P | A | -1.4313 | |
| 422 | H | A | -1.9665 | |
| 423 | T | A | -1.7395 | |
| 424 | D | A | -2.4244 | |
| 425 | G | A | -1.5299 | |
| 426 | H | A | -0.7225 | |
| 427 | F | A | 1.1125 | |
| 428 | H | A | -0.1350 | |
| 429 | P | A | -0.2055 | |
| 430 | S | A | 0.0069 | |
| 431 | P | A | 0.3293 | |
| 432 | L | A | 1.0169 | |
| 433 | M | A | 0.3981 | |
| 434 | G | A | 0.0000 | |
| 435 | G | A | 0.0172 | |
| 436 | F | A | 0.0000 | |
| 437 | G | A | -0.7386 | |
| 438 | L | A | 0.0000 | |
| 439 | K | A | -2.5327 | |
| 440 | H | A | -2.2034 | |
| 441 | P | A | 0.0000 | |
| 442 | P | A | 0.0000 | |
| 443 | P | A | 0.0000 | |
| 444 | Q | A | 0.0000 | |
| 445 | I | A | 0.0000 | |
| 446 | L | A | 0.0000 | |
| 447 | I | A | 0.0000 | |
| 448 | K | A | 0.0000 | |
| 449 | N | A | 0.0000 | |
| 450 | T | A | 0.1476 | |
| 451 | P | A | -0.0111 | |
| 452 | V | A | 0.2445 | |
| 453 | P | A | 0.0037 | |
| 454 | A | A | -0.3221 | |
| 455 | N | A | -1.3363 | |
| 456 | P | A | -0.9233 | |
| 457 | P | A | -0.8457 | |
| 458 | A | A | -0.7458 | |
| 459 | E | A | -1.0122 | |
| 460 | F | A | 0.9066 | |
| 461 | S | A | 0.0866 | |
| 462 | A | A | 0.0539 | |
| 463 | T | A | -0.5070 | |
| 464 | K | A | -1.4535 | |
| 465 | F | A | -0.2842 | |
| 466 | A | A | -0.2442 | |
| 467 | S | A | -0.3060 | |
| 468 | F | A | 0.2771 | |
| 469 | I | A | 0.6704 | |
| 470 | T | A | 0.3158 | |
| 471 | Q | A | 0.0000 | |
| 472 | Y | A | 0.3272 | |
| 473 | S | A | 0.0000 | |
| 474 | T | A | 0.0429 | |
| 475 | G | A | 0.0000 | |
| 476 | Q | A | -0.3339 | |
| 477 | V | A | 0.0000 | |
| 478 | S | A | 0.0000 | |
| 479 | V | A | 0.0000 | |
| 480 | E | A | -1.1793 | |
| 481 | I | A | 0.0000 | |
| 482 | E | A | -1.2206 | |
| 483 | W | A | 0.0000 | |
| 484 | E | A | -1.2872 | |
| 485 | L | A | 0.0000 | |
| 486 | Q | A | -1.7024 | |
| 487 | K | A | -2.3343 | |
| 488 | E | A | -2.2982 | |
| 489 | N | A | -2.5279 | |
| 490 | S | A | -2.0383 | |
| 491 | K | A | -2.2976 | |
| 492 | R | A | -1.5966 | |
| 493 | W | A | -0.0744 | |
| 494 | N | A | -0.5804 | |
| 495 | P | A | -0.3138 | |
| 496 | E | A | 0.1238 | |
| 497 | V | A | 1.2574 | |
| 498 | Q | A | 0.0733 | |
| 499 | Y | A | -0.2627 | |
| 500 | T | A | -0.2483 | |
| 501 | S | A | -0.6021 | |
| 502 | N | A | -1.0108 | |
| 503 | Y | A | 0.2282 | |
| 504 | A | A | -0.6282 | |
| 505 | K | A | -1.6181 | |
| 506 | S | A | -1.1825 | |
| 507 | A | A | -0.8600 | |
| 508 | N | A | -1.1863 | |
| 509 | V | A | 0.1266 | |
| 510 | D | A | -1.1163 | |
| 511 | F | A | -0.4888 | |
| 512 | T | A | 0.1675 | |
| 513 | V | A | 0.0468 | |
| 514 | D | A | -1.4146 | |
| 515 | N | A | -2.2205 | |
| 516 | N | A | -1.9730 | |
| 517 | G | A | -1.2649 | |
| 518 | L | A | -0.4266 | |
| 519 | Y | A | -0.2636 | |
| 520 | T | A | -0.5540 | |
| 521 | E | A | -1.1632 | |
| 522 | P | A | -1.3165 | |
| 523 | R | A | -1.6069 | |
| 524 | P | A | -0.5956 | |
| 525 | I | A | 0.0000 | |
| 526 | G | A | -0.2970 | |
| 527 | T | A | 0.0000 | |
| 528 | R | A | 0.0000 | |
| 529 | Y | A | 0.3091 | |
| 530 | L | A | 0.0000 | |
| 531 | T | A | -0.4349 | |
| 532 | R | A | -1.2498 | |
| 533 | P | A | -0.5054 | |
| 534 | L | A | 0.1418 |
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 | -0.1478 | 4.3595 | View | CSV | PDB |
| 4.5 | -0.1972 | 4.2627 | View | CSV | PDB |
| 5.0 | -0.2534 | 4.2467 | View | CSV | PDB |
| 5.5 | -0.3089 | 4.2302 | View | CSV | PDB |
| 6.0 | -0.3559 | 4.2135 | View | CSV | PDB |
| 6.5 | -0.3884 | 4.1968 | View | CSV | PDB |
| 7.0 | -0.407 | 4.1802 | View | CSV | PDB |
| 7.5 | -0.4167 | 4.164 | View | CSV | PDB |
| 8.0 | -0.4205 | 4.1487 | View | CSV | PDB |
| 8.5 | -0.417 | 4.1358 | View | CSV | PDB |
| 9.0 | -0.4032 | 4.1267 | 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