| Chain sequence(s) | DGVGNASGNWHCDSTWLGDRVITTSTRTWALPTYNNHLYKQISSASTGASNDNHYFGYSTPWGYFDFNRFHCHFSPRDWQRLINNNWGFRPKRLNFKLFNIQVKEVTTNDGVTTIANNLTSTVQVFSDSEYQLPYVLGSAHQGCLPPFPADVFMIPQYGYLTLNNGSQAVGRSSFYCLEYFPSQMLRTGNNFTFSYTFEEVPFHSSYAHSQSLDRLMNPLIDQYLYYLNRTQNQSGSAQNKDLLFSRGSPAGMSVQPKNWLPGPCYRQQRVSKTKTDNNNSNFTWTGASKYNLNGRESIINPGTAMASHKDDEDKFFPMSGVMIFGKESAGASNTALDNVMITDEEEIKATNPVATERFGTVAVNFQSSSTDPATGDVHAMGALPGMVWQDRDVYLQGPIWAKIPHTDGHFHPSPLMGGFGLKNPPPQILIKNTPVPANPPAEFSATKFASFITQYSTGQVSVEIEWELQKENSKRWNPEVQYTSNYAKSANVDFTVDNNGLYTEPRPIGTRYLTRPL 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 globular. Max score is recommended for pH analysis. (00:00:05)
[INFO] FoldX: Starting FoldX energy minimization (00:00:05)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:03:54)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/e4d55551d9092c/tmp/folded.pdb (00:03:54)
[INFO] Main: Simulation completed successfully. (00:11:16)
|
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 | |
| 17 | D | A | -2.4697 | |
| 18 | G | A | -1.2729 | |
| 19 | V | A | 0.3474 | |
| 20 | G | A | -0.6410 | |
| 21 | N | A | -1.6926 | |
| 22 | A | A | -1.2741 | |
| 23 | S | A | -1.3944 | |
| 24 | G | A | -1.1519 | |
| 25 | N | A | -1.0865 | |
| 26 | W | A | -0.2304 | |
| 27 | H | A | -1.1824 | |
| 28 | C | A | -0.9345 | |
| 29 | D | A | -1.7703 | |
| 30 | S | A | -0.8564 | |
| 31 | T | A | -0.1598 | |
| 32 | W | A | 0.0758 | |
| 33 | L | A | 0.2936 | |
| 34 | G | A | -1.0450 | |
| 35 | D | A | -2.1375 | |
| 36 | R | A | -1.2686 | |
| 37 | V | A | 0.0000 | |
| 38 | I | A | -0.3866 | |
| 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 | 0.4430 | |
| 45 | W | A | 0.0000 | |
| 46 | A | A | 0.6932 | |
| 47 | L | A | 0.0000 | |
| 48 | P | A | 0.0770 | |
| 49 | T | A | -0.2087 | |
| 50 | Y | A | -0.1796 | |
| 51 | N | A | -0.6176 | |
| 52 | N | A | -0.9729 | |
| 53 | H | A | -0.2030 | |
| 54 | L | A | 0.3672 | |
| 55 | Y | A | -0.0726 | |
| 56 | K | A | -1.1185 | |
| 57 | Q | A | -0.8019 | |
| 58 | I | A | 0.2354 | |
| 59 | S | A | 0.0262 | |
| 60 | S | A | 0.0000 | |
| 61 | A | A | -0.2673 | |
| 62 | S | A | -0.2814 | |
| 63 | T | A | -0.5771 | |
| 64 | G | A | -0.8951 | |
| 65 | A | A | -1.1349 | |
| 66 | S | A | -1.5451 | |
| 67 | N | A | -2.3787 | |
| 68 | D | A | -2.3298 | |
| 69 | N | A | -2.1878 | |
| 70 | H | A | -1.7170 | |
| 71 | Y | A | -0.0833 | |
| 72 | F | A | 0.4224 | |
| 73 | G | A | 0.0000 | |
| 74 | Y | A | 0.3151 | |
| 75 | S | A | -0.1841 | |
| 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 | -0.5392 | |
| 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 | -1.0457 | |
| 92 | P | A | -1.3969 | |
| 93 | R | A | -2.4965 | |
| 94 | D | A | -1.7709 | |
| 95 | W | A | 0.0000 | |
| 96 | Q | A | -2.0662 | |
| 97 | R | A | -2.5543 | |
| 98 | L | A | 0.0000 | |
| 99 | I | A | 0.0000 | |
| 100 | N | A | -1.0217 | |
| 101 | N | A | -1.9413 | |
| 102 | N | A | 0.0000 | |
| 103 | W | A | -0.8650 | |
| 104 | G | A | 0.0000 | |
| 105 | F | A | 0.0000 | |
| 106 | R | A | -0.8570 | |
| 107 | P | A | 0.0000 | |
| 108 | K | A | -1.9749 | |
| 109 | R | A | -1.9636 | |
| 110 | L | A | 0.0000 | |
| 111 | N | A | -0.9684 | |
| 112 | F | A | 0.0000 | |
| 113 | K | A | -1.0160 | |
| 114 | L | A | 0.0000 | |
| 115 | F | A | 0.0000 | |
| 116 | N | A | -1.0869 | |
| 117 | I | A | 0.0000 | |
| 118 | Q | A | -1.0776 | |
| 119 | V | A | 0.0000 | |
| 120 | K | A | -0.5508 | |
| 121 | E | A | -0.1951 | |
| 122 | V | A | 0.4055 | |
| 123 | T | A | 0.1787 | |
| 124 | T | A | -0.5063 | |
| 125 | N | A | -1.7842 | |
| 126 | D | A | -2.1018 | |
| 127 | G | A | -0.9327 | |
| 128 | V | A | 0.4944 | |
| 129 | T | A | 0.3906 | |
| 130 | T | A | 0.6415 | |
| 131 | I | A | 0.8791 | |
| 132 | A | A | -0.0797 | |
| 133 | N | A | -1.1210 | |
| 134 | N | A | -0.6295 | |
| 135 | L | A | 0.3350 | |
| 136 | T | A | -0.0807 | |
| 137 | S | A | 0.0000 | |
| 138 | T | A | 0.0000 | |
| 139 | V | A | 0.0000 | |
| 140 | Q | A | 0.0000 | |
| 141 | V | A | 0.0000 | |
| 142 | F | A | 0.0000 | |
| 143 | S | A | -0.4409 | |
| 144 | D | A | 0.0000 | |
| 145 | S | A | -1.3382 | |
| 146 | E | A | -2.2824 | |
| 147 | Y | A | -1.5173 | |
| 148 | Q | A | -1.3874 | |
| 149 | L | A | 0.0000 | |
| 150 | P | A | 0.2261 | |
| 151 | Y | A | 0.0221 | |
| 152 | V | A | 0.2072 | |
| 153 | L | A | 0.0000 | |
| 154 | G | A | -0.5120 | |
| 155 | S | A | -0.6408 | |
| 156 | A | A | -0.8124 | |
| 157 | H | A | -1.4664 | |
| 158 | Q | A | -1.6497 | |
| 159 | G | A | -0.6792 | |
| 160 | C | A | -0.4637 | |
| 161 | L | A | 0.0000 | |
| 162 | P | A | -0.0122 | |
| 163 | P | A | -0.0869 | |
| 164 | F | A | 0.6208 | |
| 165 | P | A | 0.0628 | |
| 166 | A | A | -0.1518 | |
| 167 | D | A | -0.5188 | |
| 168 | V | A | 1.2588 | |
| 169 | F | A | 0.0000 | |
| 170 | M | A | 1.3493 | |
| 171 | I | A | 0.0000 | |
| 172 | P | A | -0.2966 | |
| 173 | Q | A | -0.3397 | |
| 174 | Y | A | 0.0000 | |
| 175 | G | A | -0.0153 | |
| 176 | Y | A | 0.0000 | |
| 177 | L | A | 1.9692 | |
| 178 | T | A | 1.2169 | |
| 179 | L | A | 0.2800 | |
| 180 | N | A | -0.7713 | |
| 181 | N | A | -1.8616 | |
| 182 | G | A | -1.6340 | |
| 183 | S | A | -1.1899 | |
| 184 | Q | A | -1.4924 | |
| 185 | A | A | -0.9740 | |
| 186 | V | A | -0.8685 | |
| 187 | G | A | -1.0993 | |
| 188 | R | A | -1.6724 | |
| 189 | S | A | -0.4455 | |
| 190 | S | A | 0.5536 | |
| 191 | F | A | 1.4750 | |
| 192 | Y | A | 1.1201 | |
| 193 | C | A | 0.9129 | |
| 194 | L | A | 0.0000 | |
| 195 | E | A | -0.1667 | |
| 196 | Y | A | 1.0420 | |
| 197 | F | A | 0.2669 | |
| 198 | P | A | -0.2128 | |
| 199 | S | A | -0.4744 | |
| 200 | Q | A | -1.1174 | |
| 201 | M | A | -0.2064 | |
| 202 | L | A | 0.0000 | |
| 203 | R | A | -1.8378 | |
| 204 | T | A | -1.3780 | |
| 205 | G | A | 0.0000 | |
| 206 | N | A | -2.0201 | |
| 207 | N | A | -1.7327 | |
| 208 | F | A | 0.0000 | |
| 209 | T | A | -0.4805 | |
| 210 | F | A | -0.0895 | |
| 211 | S | A | -0.5341 | |
| 212 | Y | A | -0.5499 | |
| 213 | T | A | -1.3373 | |
| 214 | F | A | 0.0000 | |
| 215 | E | A | -2.2488 | |
| 216 | E | A | -2.2416 | |
| 217 | V | A | 0.0000 | |
| 218 | P | A | -0.4707 | |
| 219 | F | A | 0.0792 | |
| 220 | H | A | 0.0000 | |
| 221 | S | A | -0.0073 | |
| 222 | S | A | 0.0000 | |
| 223 | Y | A | -0.3041 | |
| 224 | A | A | -0.7270 | |
| 225 | H | A | -0.8940 | |
| 226 | S | A | -0.9311 | |
| 227 | Q | A | -1.2194 | |
| 228 | S | A | -1.1633 | |
| 229 | L | A | 0.0000 | |
| 230 | D | A | -1.5326 | |
| 231 | R | A | -1.4428 | |
| 232 | L | A | -0.4353 | |
| 233 | M | A | -0.1699 | |
| 234 | N | A | 0.0621 | |
| 235 | P | A | 0.4618 | |
| 236 | L | A | 1.8291 | |
| 237 | I | A | 1.7325 | |
| 238 | D | A | -0.6727 | |
| 239 | Q | A | -0.0837 | |
| 240 | Y | A | 1.1681 | |
| 241 | L | A | 0.9896 | |
| 242 | Y | A | 1.8059 | |
| 243 | Y | A | 1.4629 | |
| 244 | L | A | 1.7475 | |
| 245 | N | A | 0.2924 | |
| 246 | R | A | -0.7229 | |
| 247 | T | A | -1.1432 | |
| 248 | Q | A | -2.9843 | |
| 249 | N | A | -2.8785 | |
| 250 | Q | A | -2.5607 | |
| 251 | S | A | -1.6317 | |
| 252 | G | A | -1.7597 | |
| 253 | S | A | -1.1823 | |
| 254 | A | A | -1.7847 | |
| 255 | Q | A | -2.9441 | |
| 256 | N | A | -3.5122 | |
| 257 | K | A | -3.2606 | |
| 258 | D | A | -1.6996 | |
| 259 | L | A | 1.0863 | |
| 260 | L | A | 0.9564 | |
| 261 | F | A | 2.2980 | |
| 262 | S | A | 0.6888 | |
| 263 | R | A | -0.4539 | |
| 264 | G | A | 0.0000 | |
| 265 | S | A | -0.2206 | |
| 266 | P | A | 0.0802 | |
| 267 | A | A | 0.0062 | |
| 268 | G | A | 0.0231 | |
| 269 | M | A | -0.0731 | |
| 270 | S | A | -0.0774 | |
| 271 | V | A | 0.8479 | |
| 272 | Q | A | 0.0000 | |
| 273 | P | A | -0.3272 | |
| 274 | K | A | -1.1148 | |
| 275 | N | A | -1.2090 | |
| 276 | W | A | 0.2766 | |
| 277 | L | A | 0.6039 | |
| 278 | P | A | 0.4045 | |
| 279 | G | A | 0.0000 | |
| 280 | P | A | 0.3506 | |
| 281 | C | A | 0.0000 | |
| 282 | Y | A | 0.1068 | |
| 283 | R | A | -1.1396 | |
| 284 | Q | A | 0.0000 | |
| 285 | Q | A | -1.5315 | |
| 286 | R | A | -1.8697 | |
| 287 | V | A | -1.5384 | |
| 288 | S | A | 0.0000 | |
| 289 | K | A | -1.7239 | |
| 290 | T | A | -1.6897 | |
| 291 | K | A | -2.5969 | |
| 292 | T | A | -1.9750 | |
| 293 | D | A | -2.3570 | |
| 294 | N | A | -2.5768 | |
| 295 | N | A | -2.7052 | |
| 296 | N | A | -2.6303 | |
| 297 | S | A | -1.8013 | |
| 298 | N | A | -1.6280 | |
| 299 | F | A | -0.7266 | |
| 300 | T | A | -0.0670 | |
| 301 | W | A | 0.3369 | |
| 302 | T | A | -0.0424 | |
| 303 | G | A | -0.3993 | |
| 304 | A | A | -0.1099 | |
| 305 | S | A | -0.0250 | |
| 306 | K | A | 0.1444 | |
| 307 | Y | A | 0.5028 | |
| 308 | N | A | -0.9490 | |
| 309 | L | A | -0.0049 | |
| 310 | N | A | -1.4872 | |
| 311 | G | A | -1.4462 | |
| 312 | R | A | -1.9022 | |
| 313 | E | A | -1.4624 | |
| 314 | S | A | -0.3286 | |
| 315 | I | A | 0.3191 | |
| 316 | I | A | 0.2621 | |
| 317 | N | A | -0.7479 | |
| 318 | P | A | 0.0000 | |
| 319 | G | A | 0.1369 | |
| 320 | T | A | 0.1656 | |
| 321 | A | A | 0.2331 | |
| 322 | M | A | 0.0000 | |
| 323 | A | A | 0.0000 | |
| 324 | S | A | 0.0000 | |
| 325 | H | A | 0.0000 | |
| 326 | K | A | -3.5929 | |
| 327 | D | A | -4.1432 | |
| 328 | D | A | -3.9716 | |
| 329 | E | A | -3.6950 | |
| 330 | D | A | -3.9789 | |
| 331 | K | A | -2.6218 | |
| 332 | F | A | 0.0000 | |
| 333 | F | A | -1.2187 | |
| 334 | P | A | 0.0000 | |
| 335 | M | A | -0.4833 | |
| 336 | S | A | -0.3324 | |
| 337 | G | A | 0.0000 | |
| 338 | V | A | 0.0000 | |
| 339 | M | A | 0.0000 | |
| 340 | I | A | 1.3694 | |
| 341 | F | A | 0.2816 | |
| 342 | G | A | -1.1102 | |
| 343 | K | A | -2.2143 | |
| 344 | E | A | -2.3733 | |
| 345 | S | A | -1.7616 | |
| 346 | A | A | -1.6388 | |
| 347 | G | A | -1.2528 | |
| 348 | A | A | -0.6158 | |
| 349 | S | A | -0.9440 | |
| 350 | N | A | -1.3891 | |
| 351 | T | A | -1.0627 | |
| 352 | A | A | -0.7456 | |
| 353 | L | A | -0.6967 | |
| 354 | D | A | -1.6826 | |
| 355 | N | A | -1.5306 | |
| 356 | V | A | -0.5355 | |
| 357 | M | A | 0.0000 | |
| 358 | I | A | 0.4658 | |
| 359 | T | A | 0.0000 | |
| 360 | D | A | -1.2179 | |
| 361 | E | A | 0.0000 | |
| 362 | E | A | -2.5745 | |
| 363 | E | A | -1.8131 | |
| 364 | I | A | 0.0000 | |
| 365 | K | A | -2.3821 | |
| 366 | A | A | 0.0000 | |
| 367 | T | A | 0.0000 | |
| 368 | N | A | 0.0000 | |
| 369 | P | A | -0.6744 | |
| 370 | V | A | -0.9583 | |
| 371 | A | A | 0.0000 | |
| 372 | T | A | -1.5423 | |
| 373 | E | A | -2.1897 | |
| 374 | R | A | -2.1669 | |
| 375 | F | A | -0.7850 | |
| 376 | G | A | -0.7605 | |
| 377 | T | A | -0.1565 | |
| 378 | V | A | 1.1057 | |
| 379 | A | A | 1.1434 | |
| 380 | V | A | 1.7711 | |
| 381 | N | A | 0.6085 | |
| 382 | F | A | 1.0175 | |
| 383 | Q | A | -1.0880 | |
| 384 | S | A | -1.0471 | |
| 385 | S | A | -1.1692 | |
| 386 | S | A | -1.0484 | |
| 387 | T | A | -1.3450 | |
| 388 | D | A | -2.2423 | |
| 389 | P | A | -1.0712 | |
| 390 | A | A | -0.0237 | |
| 391 | T | A | 0.3755 | |
| 392 | G | A | -0.1097 | |
| 393 | D | A | -1.4397 | |
| 394 | V | A | -0.9621 | |
| 395 | H | A | -1.4300 | |
| 396 | A | A | -0.4039 | |
| 397 | M | A | -0.0519 | |
| 398 | G | A | -0.0807 | |
| 399 | A | A | 0.4085 | |
| 400 | L | A | 0.6082 | |
| 401 | P | A | 0.2155 | |
| 402 | G | A | 0.1250 | |
| 403 | M | A | 0.6375 | |
| 404 | V | A | 0.9471 | |
| 405 | W | A | 0.2814 | |
| 406 | Q | A | -0.4309 | |
| 407 | D | A | -0.4186 | |
| 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 | -0.3849 | |
| 416 | I | A | 0.0000 | |
| 417 | W | A | 0.0000 | |
| 418 | A | A | -0.5618 | |
| 419 | K | A | -1.3399 | |
| 420 | I | A | 0.0000 | |
| 421 | P | A | -1.4599 | |
| 422 | H | A | -1.9453 | |
| 423 | T | A | -1.7302 | |
| 424 | D | A | -2.3827 | |
| 425 | G | A | -1.4323 | |
| 426 | H | A | -0.5448 | |
| 427 | F | A | 1.2445 | |
| 428 | H | A | -0.0059 | |
| 429 | P | A | -0.1630 | |
| 430 | S | A | 0.0061 | |
| 431 | P | A | 0.2524 | |
| 432 | L | A | 0.9835 | |
| 433 | M | A | 0.4382 | |
| 434 | G | A | 0.0000 | |
| 435 | G | A | 0.0088 | |
| 436 | F | A | 0.0000 | |
| 437 | G | A | -0.8101 | |
| 438 | L | A | 0.0000 | |
| 439 | K | A | -2.3495 | |
| 440 | N | A | -2.2913 | |
| 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 | 0.2037 | |
| 451 | P | A | 0.0365 | |
| 452 | V | A | 0.3673 | |
| 453 | P | A | 0.0834 | |
| 454 | A | A | -0.3133 | |
| 455 | N | A | -1.3304 | |
| 456 | P | A | -0.9201 | |
| 457 | P | A | -0.8440 | |
| 458 | A | A | -0.7491 | |
| 459 | E | A | -1.0232 | |
| 460 | F | A | 0.8806 | |
| 461 | S | A | 0.0344 | |
| 462 | A | A | 0.0347 | |
| 463 | T | A | -0.5151 | |
| 464 | K | A | -1.4516 | |
| 465 | F | A | -0.2619 | |
| 466 | A | A | -0.1822 | |
| 467 | S | A | -0.2892 | |
| 468 | F | A | 0.2935 | |
| 469 | I | A | 0.6249 | |
| 470 | T | A | 0.1482 | |
| 471 | Q | A | 0.0000 | |
| 472 | Y | A | 0.2940 | |
| 473 | S | A | 0.0000 | |
| 474 | T | A | 0.0240 | |
| 475 | G | A | 0.0000 | |
| 476 | Q | A | -0.3165 | |
| 477 | V | A | 0.0000 | |
| 478 | S | A | -0.6302 | |
| 479 | V | A | 0.0000 | |
| 480 | E | A | -1.2221 | |
| 481 | I | A | 0.0000 | |
| 482 | E | A | -1.3492 | |
| 483 | W | A | 0.0000 | |
| 484 | E | A | -1.3554 | |
| 485 | L | A | 0.0000 | |
| 486 | Q | A | -1.8381 | |
| 487 | K | A | -2.3548 | |
| 488 | E | A | -2.3060 | |
| 489 | N | A | -2.5395 | |
| 490 | S | A | -2.0748 | |
| 491 | K | A | -2.3472 | |
| 492 | R | A | -1.6272 | |
| 493 | W | A | -0.0588 | |
| 494 | N | A | -0.5412 | |
| 495 | P | A | -0.2829 | |
| 496 | E | A | 0.1578 | |
| 497 | V | A | 1.2949 | |
| 498 | Q | A | -0.0403 | |
| 499 | Y | A | -0.2582 | |
| 500 | T | A | -0.4279 | |
| 501 | S | A | -0.6730 | |
| 502 | N | A | -0.8826 | |
| 503 | Y | A | 0.2896 | |
| 504 | A | A | -0.3976 | |
| 505 | K | A | -1.6066 | |
| 506 | S | A | -1.0676 | |
| 507 | A | A | -0.7845 | |
| 508 | N | A | -1.0016 | |
| 509 | V | A | 0.4521 | |
| 510 | D | A | -0.4639 | |
| 511 | F | A | -0.1011 | |
| 512 | T | A | 0.4564 | |
| 513 | V | A | 0.3988 | |
| 514 | D | A | -1.1324 | |
| 515 | N | A | -2.1055 | |
| 516 | N | A | -1.8572 | |
| 517 | G | A | -1.0722 | |
| 518 | L | A | -0.1474 | |
| 519 | Y | A | -0.0055 | |
| 520 | T | A | -0.2743 | |
| 521 | E | A | -0.9013 | |
| 522 | P | A | -0.8099 | |
| 523 | R | A | -0.8117 | |
| 524 | P | A | -0.3339 | |
| 525 | I | A | 0.0000 | |
| 526 | G | A | -0.2265 | |
| 527 | T | A | 0.0000 | |
| 528 | R | A | 0.0000 | |
| 529 | Y | A | 0.3595 | |
| 530 | L | A | 0.0000 | |
| 531 | T | A | -0.4919 | |
| 532 | R | A | -1.4628 | |
| 533 | P | A | -0.7921 | |
| 534 | L | A | 0.0214 |
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 | -0.1211 | 4.2925 | View | CSV | PDB |
| 4.5 | -0.1673 | 4.2773 | View | CSV | PDB |
| 5.0 | -0.2217 | 4.2607 | View | CSV | PDB |
| 5.5 | -0.2763 | 4.2435 | View | CSV | PDB |
| 6.0 | -0.323 | 4.2263 | View | CSV | PDB |
| 6.5 | -0.3554 | 4.209 | View | CSV | PDB |
| 7.0 | -0.3735 | 4.1918 | View | CSV | PDB |
| 7.5 | -0.382 | 4.175 | View | CSV | PDB |
| 8.0 | -0.3844 | 4.1592 | View | CSV | PDB |
| 8.5 | -0.3801 | 4.146 | View | CSV | PDB |
| 9.0 | -0.3668 | 4.1369 | 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