| 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. (00:00:03)
[INFO] FoldX: Starting FoldX energy minimization (00:00:03)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:03:45)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/abe7353e503fbe/tmp/folded.pdb (00:03:45)
[INFO] Main: Simulation completed successfully. (00:11:59)
|
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 | -1.1689 | |
| 16 | A | A | -1.3909 | |
| 17 | D | A | -2.1938 | |
| 18 | G | A | -1.1196 | |
| 19 | V | A | 0.3954 | |
| 20 | G | A | -0.5997 | |
| 21 | N | A | -1.5606 | |
| 22 | A | A | -1.2072 | |
| 23 | S | A | -1.2927 | |
| 24 | G | A | -1.2975 | |
| 25 | N | A | -1.1676 | |
| 26 | W | A | -0.3506 | |
| 27 | H | A | -1.2741 | |
| 28 | C | A | -1.0865 | |
| 29 | D | A | -1.8206 | |
| 30 | S | A | -0.7814 | |
| 31 | T | A | -0.0838 | |
| 32 | W | A | 0.1529 | |
| 33 | L | A | 0.4654 | |
| 34 | G | A | -0.8922 | |
| 35 | D | A | -1.9129 | |
| 36 | R | A | -0.9360 | |
| 37 | V | A | 0.0000 | |
| 38 | I | A | -0.1276 | |
| 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 | 0.3736 | |
| 45 | W | A | 0.0000 | |
| 46 | A | A | 0.6679 | |
| 47 | L | A | 0.0000 | |
| 48 | P | A | 0.0623 | |
| 49 | T | A | -0.2138 | |
| 50 | Y | A | -0.1844 | |
| 51 | N | A | -0.5744 | |
| 52 | N | A | -0.9312 | |
| 53 | H | A | -0.1035 | |
| 54 | L | A | 0.6037 | |
| 55 | Y | A | 0.0230 | |
| 56 | K | A | -1.0147 | |
| 57 | Q | A | -0.7825 | |
| 58 | I | A | 0.2036 | |
| 59 | S | A | -0.0385 | |
| 60 | S | A | 0.0000 | |
| 61 | A | A | -0.2983 | |
| 62 | S | A | -0.3790 | |
| 63 | T | A | -0.5769 | |
| 64 | G | A | -0.9131 | |
| 65 | A | A | -1.2083 | |
| 66 | S | A | -1.6986 | |
| 67 | N | A | -2.6302 | |
| 68 | D | A | -2.6255 | |
| 69 | N | A | -2.3269 | |
| 70 | H | A | -1.8869 | |
| 71 | Y | A | -0.2475 | |
| 72 | F | A | 0.0000 | |
| 73 | G | A | 0.0000 | |
| 74 | Y | A | 0.2697 | |
| 75 | S | A | -0.1256 | |
| 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 | -0.7132 | |
| 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 | -0.9900 | |
| 92 | P | A | -1.3318 | |
| 93 | R | A | -2.3721 | |
| 94 | D | A | 0.0000 | |
| 95 | W | A | 0.0000 | |
| 96 | Q | A | -1.9823 | |
| 97 | R | A | -2.3444 | |
| 98 | L | A | 0.0000 | |
| 99 | I | A | 0.0000 | |
| 100 | N | A | -0.9701 | |
| 101 | N | A | -1.8502 | |
| 102 | N | A | 0.0000 | |
| 103 | W | A | -0.8690 | |
| 104 | G | A | 0.0000 | |
| 105 | F | A | 0.0000 | |
| 106 | R | A | -0.9015 | |
| 107 | P | A | 0.0000 | |
| 108 | K | A | -1.8488 | |
| 109 | R | A | -1.6752 | |
| 110 | L | A | 0.0000 | |
| 111 | N | A | -0.9128 | |
| 112 | F | A | 0.0000 | |
| 113 | K | A | -1.5067 | |
| 114 | L | A | 0.0000 | |
| 115 | F | A | 0.0000 | |
| 116 | N | A | -1.0541 | |
| 117 | I | A | 0.0000 | |
| 118 | Q | A | -1.0990 | |
| 119 | V | A | 0.0000 | |
| 120 | K | A | -0.4367 | |
| 121 | E | A | 0.0464 | |
| 122 | V | A | 0.6371 | |
| 123 | T | A | 0.3689 | |
| 124 | T | A | -0.4383 | |
| 125 | N | A | -1.7759 | |
| 126 | D | A | -2.1081 | |
| 127 | G | A | -0.9305 | |
| 128 | V | A | 0.4958 | |
| 129 | T | A | 0.5268 | |
| 130 | T | A | 0.9669 | |
| 131 | I | A | 1.4945 | |
| 132 | A | A | 0.2123 | |
| 133 | N | A | -1.0369 | |
| 134 | N | A | -0.6659 | |
| 135 | L | A | 0.1084 | |
| 136 | T | A | -0.1328 | |
| 137 | S | A | 0.0000 | |
| 138 | T | A | -0.5899 | |
| 139 | V | A | 0.0000 | |
| 140 | Q | A | -0.4540 | |
| 141 | V | A | 0.0000 | |
| 142 | F | A | 0.0000 | |
| 143 | S | A | -0.4427 | |
| 144 | D | A | 0.0000 | |
| 145 | S | A | -1.3054 | |
| 146 | E | A | -2.2443 | |
| 147 | Y | A | -1.3269 | |
| 148 | Q | A | -1.3384 | |
| 149 | L | A | 0.0000 | |
| 150 | P | A | 0.3991 | |
| 151 | Y | A | 0.0809 | |
| 152 | V | A | 0.3342 | |
| 153 | L | A | 0.0000 | |
| 154 | G | A | -0.3291 | |
| 155 | S | A | -0.5128 | |
| 156 | A | A | -0.7077 | |
| 157 | H | A | -1.3540 | |
| 158 | Q | A | -1.6436 | |
| 159 | G | A | -0.6673 | |
| 160 | C | A | -0.4544 | |
| 161 | L | A | 0.0000 | |
| 162 | P | A | -0.0604 | |
| 163 | P | A | -0.1221 | |
| 164 | F | A | 0.5281 | |
| 165 | P | A | -0.0119 | |
| 166 | A | A | -0.2228 | |
| 167 | D | A | -0.6868 | |
| 168 | V | A | 1.1720 | |
| 169 | F | A | 0.0000 | |
| 170 | M | A | 1.3126 | |
| 171 | I | A | 0.0000 | |
| 172 | P | A | -0.2832 | |
| 173 | Q | A | -0.3500 | |
| 174 | Y | A | 0.0000 | |
| 175 | G | A | 0.0012 | |
| 176 | Y | A | 0.0000 | |
| 177 | L | A | 1.8816 | |
| 178 | T | A | 1.0914 | |
| 179 | L | A | 0.0559 | |
| 180 | N | A | -0.7927 | |
| 181 | N | A | -1.8506 | |
| 182 | G | A | -1.7550 | |
| 183 | S | A | -1.2448 | |
| 184 | Q | A | -1.4704 | |
| 185 | A | A | -0.8785 | |
| 186 | V | A | -0.5769 | |
| 187 | G | A | -0.9545 | |
| 188 | R | A | -1.6025 | |
| 189 | S | A | -0.2925 | |
| 190 | S | A | 0.6151 | |
| 191 | F | A | 1.6041 | |
| 192 | Y | A | 1.1656 | |
| 193 | C | A | 0.8744 | |
| 194 | L | A | 0.0000 | |
| 195 | E | A | -0.0871 | |
| 196 | Y | A | 1.0781 | |
| 197 | F | A | 0.3177 | |
| 198 | P | A | -0.1787 | |
| 199 | S | A | -0.4530 | |
| 200 | Q | A | -1.0688 | |
| 201 | M | A | -0.1323 | |
| 202 | L | A | 0.0000 | |
| 203 | R | A | -1.8507 | |
| 204 | T | A | -1.3318 | |
| 205 | G | A | 0.0000 | |
| 206 | N | A | -1.6183 | |
| 207 | N | A | -1.6274 | |
| 208 | F | A | 0.0000 | |
| 209 | T | A | -0.7117 | |
| 210 | F | A | -0.1963 | |
| 211 | S | A | -0.5301 | |
| 212 | Y | A | -0.4468 | |
| 213 | T | A | -1.1613 | |
| 214 | F | A | 0.0000 | |
| 215 | E | A | -2.0431 | |
| 216 | D | A | -2.1609 | |
| 217 | V | A | 0.0000 | |
| 218 | P | A | -0.4833 | |
| 219 | F | A | -0.0513 | |
| 220 | H | A | -0.0975 | |
| 221 | S | A | -0.1288 | |
| 222 | S | A | 0.0000 | |
| 223 | Y | A | -0.2858 | |
| 224 | A | A | -0.4914 | |
| 225 | H | A | -0.7848 | |
| 226 | S | A | -0.8709 | |
| 227 | Q | A | -1.1601 | |
| 228 | S | A | -1.1200 | |
| 229 | L | A | 0.0000 | |
| 230 | D | A | -1.6695 | |
| 231 | R | A | -1.6652 | |
| 232 | L | A | -0.7340 | |
| 233 | M | A | -0.5271 | |
| 234 | N | A | -0.5513 | |
| 235 | P | A | 0.1680 | |
| 236 | L | A | 1.6592 | |
| 237 | I | A | 1.6289 | |
| 238 | D | A | -0.5895 | |
| 239 | Q | A | -0.0491 | |
| 240 | Y | A | 1.2436 | |
| 241 | L | A | 1.0652 | |
| 242 | Y | A | 1.8948 | |
| 243 | Y | A | 1.5015 | |
| 244 | L | A | 1.7445 | |
| 245 | N | A | 0.2458 | |
| 246 | R | A | -0.7057 | |
| 247 | T | A | -1.0207 | |
| 248 | Q | A | -2.8307 | |
| 249 | N | A | -2.8139 | |
| 250 | Q | A | -2.9580 | |
| 251 | S | A | -1.8226 | |
| 252 | G | A | -1.3616 | |
| 253 | S | A | -1.1315 | |
| 254 | A | A | -1.8599 | |
| 255 | Q | A | -3.2130 | |
| 256 | N | A | -3.6678 | |
| 257 | K | A | -3.2692 | |
| 258 | D | A | -1.7673 | |
| 259 | L | A | 1.0244 | |
| 260 | L | A | 1.1449 | |
| 261 | F | A | 2.2951 | |
| 262 | S | A | 0.9105 | |
| 263 | R | A | -0.1291 | |
| 264 | G | A | 0.0000 | |
| 265 | S | A | -0.1251 | |
| 266 | P | A | 0.1809 | |
| 267 | A | A | 0.0575 | |
| 268 | G | A | -0.0364 | |
| 269 | M | A | -0.2153 | |
| 270 | S | A | -0.0327 | |
| 271 | V | A | 0.9412 | |
| 272 | Q | A | 0.0000 | |
| 273 | P | A | -0.2893 | |
| 274 | K | A | -1.4121 | |
| 275 | N | A | -1.4765 | |
| 276 | W | A | -0.1523 | |
| 277 | L | A | 0.4249 | |
| 278 | P | A | 0.3808 | |
| 279 | G | A | 0.0000 | |
| 280 | P | A | 0.6215 | |
| 281 | C | A | 0.0000 | |
| 282 | Y | A | 0.5253 | |
| 283 | R | A | -0.7546 | |
| 284 | Q | A | 0.0000 | |
| 285 | Q | A | -1.3537 | |
| 286 | R | A | -1.6607 | |
| 287 | V | A | -1.4845 | |
| 288 | S | A | 0.0000 | |
| 289 | K | A | -1.9774 | |
| 290 | T | A | -1.8285 | |
| 291 | K | A | -2.8225 | |
| 292 | T | A | -2.2775 | |
| 293 | D | A | -2.9182 | |
| 294 | N | A | -2.8320 | |
| 295 | N | A | -2.8204 | |
| 296 | N | A | -2.6964 | |
| 297 | S | A | -1.7942 | |
| 298 | N | A | -1.6208 | |
| 299 | F | A | -0.6983 | |
| 300 | T | A | -0.0103 | |
| 301 | W | A | 0.4268 | |
| 302 | T | A | -0.0391 | |
| 303 | G | A | -0.4324 | |
| 304 | A | A | -0.0686 | |
| 305 | S | A | -0.0321 | |
| 306 | K | A | 0.1100 | |
| 307 | Y | A | 0.4743 | |
| 308 | N | A | -1.0671 | |
| 309 | L | A | -0.3053 | |
| 310 | N | A | -1.6395 | |
| 311 | G | A | -1.5848 | |
| 312 | R | A | -2.0934 | |
| 313 | E | A | -1.4627 | |
| 314 | S | A | -0.3491 | |
| 315 | I | A | 0.3702 | |
| 316 | I | A | 0.2404 | |
| 317 | N | A | -0.7682 | |
| 318 | P | A | 0.0000 | |
| 319 | G | A | 0.0000 | |
| 320 | T | A | 0.0971 | |
| 321 | A | A | 0.1925 | |
| 322 | M | A | 0.0000 | |
| 323 | A | A | 0.0000 | |
| 324 | S | A | 0.0000 | |
| 325 | H | A | 0.0000 | |
| 326 | K | A | -3.3843 | |
| 327 | D | A | -3.9879 | |
| 328 | D | A | -3.8480 | |
| 329 | K | A | -3.5970 | |
| 330 | D | A | -3.8498 | |
| 331 | K | A | -2.4487 | |
| 332 | F | A | -1.9624 | |
| 333 | F | A | -1.1419 | |
| 334 | P | A | 0.0000 | |
| 335 | M | A | -0.3881 | |
| 336 | S | A | -0.3053 | |
| 337 | G | A | 0.0000 | |
| 338 | V | A | 0.0000 | |
| 339 | M | A | 0.0000 | |
| 340 | I | A | 1.3000 | |
| 341 | F | A | 0.2452 | |
| 342 | G | A | -1.1604 | |
| 343 | K | A | -2.2367 | |
| 344 | E | A | -2.3849 | |
| 345 | S | A | -1.7697 | |
| 346 | A | A | -1.6612 | |
| 347 | G | A | -1.2569 | |
| 348 | A | A | -0.6167 | |
| 349 | S | A | -0.9423 | |
| 350 | N | A | -1.3992 | |
| 351 | T | A | -1.0901 | |
| 352 | A | A | -0.7240 | |
| 353 | L | A | -0.8694 | |
| 354 | D | A | -1.8397 | |
| 355 | N | A | -1.6196 | |
| 356 | V | A | -0.6425 | |
| 357 | M | A | 0.0000 | |
| 358 | I | A | 0.3825 | |
| 359 | T | A | 0.0000 | |
| 360 | D | A | -1.4224 | |
| 361 | E | A | 0.0000 | |
| 362 | E | A | -2.8243 | |
| 363 | E | A | -1.9851 | |
| 364 | I | A | 0.0000 | |
| 365 | K | A | -1.8769 | |
| 366 | A | A | -1.2319 | |
| 367 | T | A | 0.0000 | |
| 368 | N | A | 0.0000 | |
| 369 | P | A | -0.6123 | |
| 370 | V | A | -0.9018 | |
| 371 | A | A | 0.0000 | |
| 372 | T | A | 0.0000 | |
| 373 | E | A | -2.1933 | |
| 374 | R | A | -2.1362 | |
| 375 | F | A | -0.5925 | |
| 376 | G | A | -0.6903 | |
| 377 | T | A | -0.2775 | |
| 378 | V | A | 1.0769 | |
| 379 | A | A | 1.0547 | |
| 380 | V | A | 1.6530 | |
| 381 | N | A | 0.3915 | |
| 382 | L | A | 0.6088 | |
| 383 | Q | A | -1.2879 | |
| 384 | S | A | -1.1512 | |
| 385 | S | A | -1.2251 | |
| 386 | S | A | -1.0405 | |
| 387 | T | A | -1.4125 | |
| 388 | D | A | -2.3061 | |
| 389 | P | A | -1.1921 | |
| 390 | A | A | -0.0874 | |
| 391 | T | A | 0.3240 | |
| 392 | G | A | -0.2381 | |
| 393 | D | A | -1.5712 | |
| 394 | V | A | -0.6716 | |
| 395 | H | A | -0.7377 | |
| 396 | V | A | 1.1565 | |
| 397 | M | A | 0.7321 | |
| 398 | G | A | 0.3161 | |
| 399 | A | A | 0.4888 | |
| 400 | L | A | 0.7359 | |
| 401 | P | A | 0.2474 | |
| 402 | G | A | 0.0421 | |
| 403 | M | A | 0.6085 | |
| 404 | V | A | 0.9433 | |
| 405 | W | A | 0.3353 | |
| 406 | Q | A | -0.3981 | |
| 407 | D | A | -0.4881 | |
| 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 | -0.4299 | |
| 419 | K | A | -1.1915 | |
| 420 | I | A | -1.3155 | |
| 421 | P | A | -1.4759 | |
| 422 | H | A | -2.0042 | |
| 423 | T | A | -1.8003 | |
| 424 | D | A | -2.4792 | |
| 425 | G | A | -1.6587 | |
| 426 | H | A | -0.9838 | |
| 427 | F | A | 1.0043 | |
| 428 | H | A | -0.1662 | |
| 429 | P | A | -0.2416 | |
| 430 | S | A | -0.0183 | |
| 431 | P | A | 0.3107 | |
| 432 | L | A | 0.9824 | |
| 433 | M | A | 0.3721 | |
| 434 | G | A | 0.0000 | |
| 435 | G | A | -0.0380 | |
| 436 | F | A | 0.0000 | |
| 437 | G | A | -0.7401 | |
| 438 | L | A | 0.0000 | |
| 439 | K | A | -2.5354 | |
| 440 | H | A | -2.2077 | |
| 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 | 0.1497 | |
| 451 | P | A | -0.0291 | |
| 452 | V | A | 0.2301 | |
| 453 | P | A | 0.0458 | |
| 454 | A | A | -0.3138 | |
| 455 | N | A | -1.3344 | |
| 456 | P | A | -0.8427 | |
| 457 | P | A | -0.8218 | |
| 458 | A | A | -0.7312 | |
| 459 | E | A | -1.0001 | |
| 460 | F | A | 0.9291 | |
| 461 | S | A | 0.1512 | |
| 462 | A | A | 0.1019 | |
| 463 | T | A | -0.4310 | |
| 464 | K | A | -1.3199 | |
| 465 | F | A | -0.0078 | |
| 466 | A | A | -0.0730 | |
| 467 | S | A | -0.2664 | |
| 468 | F | A | 0.2467 | |
| 469 | I | A | 0.5617 | |
| 470 | T | A | 0.3049 | |
| 471 | Q | A | 0.0000 | |
| 472 | Y | A | 0.3107 | |
| 473 | S | A | 0.0000 | |
| 474 | T | A | 0.0044 | |
| 475 | G | A | 0.0000 | |
| 476 | Q | A | -0.4463 | |
| 477 | V | A | 0.0000 | |
| 478 | S | A | 0.0000 | |
| 479 | V | A | 0.0000 | |
| 480 | E | A | -1.1868 | |
| 481 | I | A | 0.0000 | |
| 482 | E | A | -1.0551 | |
| 483 | W | A | 0.0000 | |
| 484 | E | A | -1.2140 | |
| 485 | L | A | 0.0000 | |
| 486 | Q | A | -1.6219 | |
| 487 | K | A | -2.5016 | |
| 488 | E | A | -2.3865 | |
| 489 | N | A | -2.5647 | |
| 490 | S | A | -2.0588 | |
| 491 | K | A | -2.2553 | |
| 492 | R | A | -1.4461 | |
| 493 | W | A | 0.1087 | |
| 494 | N | A | -0.2062 | |
| 495 | P | A | -0.1288 | |
| 496 | E | A | 0.2171 | |
| 497 | V | A | 1.3106 | |
| 498 | Q | A | 0.1097 | |
| 499 | Y | A | -0.2499 | |
| 500 | T | A | -0.2365 | |
| 501 | S | A | -0.5883 | |
| 502 | N | A | -1.0011 | |
| 503 | Y | A | 0.2331 | |
| 504 | A | A | -0.6193 | |
| 505 | K | A | -1.6047 | |
| 506 | S | A | -1.1643 | |
| 507 | A | A | -0.8454 | |
| 508 | N | A | -1.1417 | |
| 509 | V | A | 0.1797 | |
| 510 | D | A | -0.9704 | |
| 511 | F | A | -0.3681 | |
| 512 | T | A | 0.2841 | |
| 513 | V | A | 0.2986 | |
| 514 | D | A | -1.2158 | |
| 515 | N | A | -2.1292 | |
| 516 | N | A | -1.8836 | |
| 517 | G | A | -1.1333 | |
| 518 | L | A | -0.2632 | |
| 519 | Y | A | -0.1347 | |
| 520 | T | A | -0.4105 | |
| 521 | E | A | -0.9847 | |
| 522 | P | A | -1.0537 | |
| 523 | R | A | -1.0509 | |
| 524 | P | A | -0.3491 | |
| 525 | I | A | 0.0000 | |
| 526 | G | A | -0.2459 | |
| 527 | T | A | 0.0000 | |
| 528 | R | A | 0.0000 | |
| 529 | Y | A | 0.3279 | |
| 530 | L | A | 0.0000 | |
| 531 | T | A | -0.2862 | |
| 532 | R | A | -1.1086 | |
| 533 | P | A | -0.6634 | |
| 534 | L | A | 0.0664 |
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 | -0.1442 | 4.3366 | View | CSV | PDB |
| 4.5 | -0.1926 | 4.3013 | View | CSV | PDB |
| 5.0 | -0.2479 | 4.2824 | View | CSV | PDB |
| 5.5 | -0.3026 | 4.2627 | View | CSV | PDB |
| 6.0 | -0.3489 | 4.2427 | View | CSV | PDB |
| 6.5 | -0.3809 | 4.2228 | View | CSV | PDB |
| 7.0 | -0.3993 | 4.2029 | View | CSV | PDB |
| 7.5 | -0.4089 | 4.1833 | View | CSV | PDB |
| 8.0 | -0.4124 | 4.1647 | View | CSV | PDB |
| 8.5 | -0.408 | 4.1485 | View | CSV | PDB |
| 9.0 | -0.393 | 4.1367 | 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