| 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] (00:00:01)
[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 (00:02:08)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/32a6838c97427f/tmp/folded.pdb (00:02:08)
[INFO] Main: Simulation completed successfully. (00:05:26)
|
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 | -2.4743 | |
| 18 | G | A | -1.3167 | |
| 19 | V | A | 0.3138 | |
| 20 | G | A | -0.6664 | |
| 21 | N | A | -1.7187 | |
| 22 | A | A | -1.2752 | |
| 23 | S | A | -1.3509 | |
| 24 | G | A | -1.1462 | |
| 25 | N | A | -1.0937 | |
| 26 | W | A | -0.2343 | |
| 27 | H | A | -1.1653 | |
| 28 | C | A | -0.9107 | |
| 29 | D | A | -1.7746 | |
| 30 | S | A | -0.8440 | |
| 31 | T | A | -0.1864 | |
| 32 | W | A | 0.0315 | |
| 33 | L | A | 0.2360 | |
| 34 | G | A | -1.1053 | |
| 35 | D | A | -2.2319 | |
| 36 | R | A | -1.1535 | |
| 37 | V | A | 0.0000 | |
| 38 | I | A | -0.2375 | |
| 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 | 0.4391 | |
| 45 | W | A | 0.0000 | |
| 46 | A | A | 0.6925 | |
| 47 | L | A | 0.0000 | |
| 48 | P | A | 0.0851 | |
| 49 | T | A | -0.2187 | |
| 50 | Y | A | -0.2024 | |
| 51 | N | A | -0.6780 | |
| 52 | N | A | -0.9553 | |
| 53 | H | A | -0.2602 | |
| 54 | L | A | 0.2565 | |
| 55 | Y | A | -0.1471 | |
| 56 | K | A | -1.2082 | |
| 57 | Q | A | -0.8549 | |
| 58 | I | A | 0.2092 | |
| 59 | S | A | 0.0060 | |
| 60 | S | A | 0.0000 | |
| 61 | A | A | -0.2922 | |
| 62 | S | A | -0.2804 | |
| 63 | T | A | -0.5832 | |
| 64 | G | A | -0.9194 | |
| 65 | A | A | -1.2531 | |
| 66 | S | A | -1.7645 | |
| 67 | N | A | -2.7653 | |
| 68 | D | A | -2.8810 | |
| 69 | N | A | -2.4615 | |
| 70 | H | A | -1.9515 | |
| 71 | Y | A | -0.1746 | |
| 72 | F | A | 0.4236 | |
| 73 | G | A | 0.0000 | |
| 74 | Y | A | 0.2851 | |
| 75 | S | A | -0.2071 | |
| 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 | -0.5389 | |
| 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 | -1.0689 | |
| 92 | P | A | -1.3562 | |
| 93 | R | A | -2.3230 | |
| 94 | D | A | -1.6064 | |
| 95 | W | A | 0.0000 | |
| 96 | Q | A | -1.6433 | |
| 97 | R | A | -1.9904 | |
| 98 | L | A | 0.0000 | |
| 99 | I | A | 0.0000 | |
| 100 | N | A | -0.8066 | |
| 101 | N | A | -1.7144 | |
| 102 | N | A | 0.0000 | |
| 103 | W | A | -0.9306 | |
| 104 | G | A | 0.0000 | |
| 105 | F | A | 0.0000 | |
| 106 | R | A | -0.7939 | |
| 107 | P | A | 0.0000 | |
| 108 | K | A | -1.7454 | |
| 109 | R | A | -1.7548 | |
| 110 | L | A | 0.0000 | |
| 111 | N | A | -0.9837 | |
| 112 | F | A | 0.0000 | |
| 113 | K | A | -0.9555 | |
| 114 | L | A | 0.0000 | |
| 115 | F | A | 0.0000 | |
| 116 | N | A | -1.0803 | |
| 117 | I | A | 0.0000 | |
| 118 | Q | A | -1.0792 | |
| 119 | V | A | 0.0000 | |
| 120 | K | A | -0.4872 | |
| 121 | E | A | -0.0910 | |
| 122 | V | A | 0.4682 | |
| 123 | T | A | 0.2057 | |
| 124 | T | A | -0.5086 | |
| 125 | N | A | -1.7856 | |
| 126 | D | A | -2.1007 | |
| 127 | G | A | -0.9325 | |
| 128 | V | A | 0.4965 | |
| 129 | T | A | 0.3953 | |
| 130 | T | A | 0.6662 | |
| 131 | I | A | 0.9368 | |
| 132 | A | A | -0.0274 | |
| 133 | N | A | -1.0872 | |
| 134 | N | A | -0.5942 | |
| 135 | L | A | 0.2935 | |
| 136 | T | A | -0.0258 | |
| 137 | S | A | 0.0000 | |
| 138 | T | A | 0.0000 | |
| 139 | V | A | 0.0000 | |
| 140 | Q | A | -0.4990 | |
| 141 | V | A | 0.0000 | |
| 142 | F | A | 0.0000 | |
| 143 | S | A | -0.4180 | |
| 144 | D | A | 0.0000 | |
| 145 | S | A | -1.3431 | |
| 146 | E | A | -2.2906 | |
| 147 | Y | A | -1.3886 | |
| 148 | Q | A | -1.3985 | |
| 149 | L | A | 0.0000 | |
| 150 | P | A | 0.2321 | |
| 151 | Y | A | 0.0755 | |
| 152 | V | A | 0.3165 | |
| 153 | L | A | 0.0000 | |
| 154 | G | A | -0.3731 | |
| 155 | S | A | -0.5390 | |
| 156 | A | A | -0.7472 | |
| 157 | H | A | -1.3934 | |
| 158 | Q | A | -1.6322 | |
| 159 | G | A | -0.6645 | |
| 160 | C | A | -0.4539 | |
| 161 | L | A | 0.0000 | |
| 162 | P | A | 0.0003 | |
| 163 | P | A | -0.0831 | |
| 164 | F | A | 0.6288 | |
| 165 | P | A | 0.0731 | |
| 166 | A | A | -0.1381 | |
| 167 | D | A | -0.4815 | |
| 168 | V | A | 1.2628 | |
| 169 | F | A | 0.0000 | |
| 170 | M | A | 1.3509 | |
| 171 | I | A | 0.0000 | |
| 172 | P | A | -0.2831 | |
| 173 | Q | A | -0.3236 | |
| 174 | Y | A | 0.0000 | |
| 175 | G | A | 0.0026 | |
| 176 | Y | A | 0.0000 | |
| 177 | L | A | 1.9816 | |
| 178 | T | A | 1.2355 | |
| 179 | L | A | 0.3428 | |
| 180 | N | A | -0.6777 | |
| 181 | N | A | -1.8589 | |
| 182 | G | A | -1.7816 | |
| 183 | S | A | -1.3131 | |
| 184 | Q | A | -1.4784 | |
| 185 | A | A | -0.9338 | |
| 186 | V | A | -0.8411 | |
| 187 | G | A | -1.0867 | |
| 188 | R | A | -1.6670 | |
| 189 | S | A | -0.4363 | |
| 190 | S | A | 0.5226 | |
| 191 | F | A | 1.4112 | |
| 192 | Y | A | 1.0839 | |
| 193 | C | A | 0.8688 | |
| 194 | L | A | 0.0000 | |
| 195 | E | A | -0.2708 | |
| 196 | Y | A | 1.0039 | |
| 197 | F | A | 0.2484 | |
| 198 | P | A | -0.2350 | |
| 199 | S | A | -0.5118 | |
| 200 | Q | A | -1.1061 | |
| 201 | M | A | -0.2219 | |
| 202 | L | A | 0.0000 | |
| 203 | R | A | -1.8488 | |
| 204 | T | A | -1.3837 | |
| 205 | G | A | -1.6315 | |
| 206 | N | A | -1.8845 | |
| 207 | N | A | -1.5652 | |
| 208 | F | A | -0.5175 | |
| 209 | T | A | -0.3920 | |
| 210 | F | A | -0.0793 | |
| 211 | S | A | -0.5512 | |
| 212 | Y | A | -0.5440 | |
| 213 | T | A | -1.2773 | |
| 214 | F | A | 0.0000 | |
| 215 | E | A | -2.2428 | |
| 216 | E | A | -2.2317 | |
| 217 | V | A | 0.0000 | |
| 218 | P | A | -0.4799 | |
| 219 | F | A | 0.0565 | |
| 220 | H | A | 0.0000 | |
| 221 | S | A | -0.0178 | |
| 222 | S | A | 0.0000 | |
| 223 | Y | A | -0.3326 | |
| 224 | A | A | -0.6206 | |
| 225 | H | A | -0.7234 | |
| 226 | S | A | -0.9006 | |
| 227 | Q | A | -1.1022 | |
| 228 | S | A | -0.9684 | |
| 229 | L | A | 0.0000 | |
| 230 | D | A | -1.5813 | |
| 231 | R | A | -1.5184 | |
| 232 | L | A | -0.4866 | |
| 233 | M | A | -0.1940 | |
| 234 | N | A | 0.0296 | |
| 235 | P | A | 0.5019 | |
| 236 | L | A | 1.9455 | |
| 237 | I | A | 2.0367 | |
| 238 | D | A | -0.0464 | |
| 239 | Q | A | 0.1677 | |
| 240 | Y | A | 1.2883 | |
| 241 | L | A | 1.0765 | |
| 242 | Y | A | 1.7917 | |
| 243 | Y | A | 1.4482 | |
| 244 | L | A | 1.7235 | |
| 245 | N | A | 0.3011 | |
| 246 | R | A | -0.6263 | |
| 247 | T | A | -1.0204 | |
| 248 | Q | A | -2.6014 | |
| 249 | N | A | -2.5675 | |
| 250 | Q | A | -2.2848 | |
| 251 | S | A | -1.6995 | |
| 252 | G | A | -1.3970 | |
| 253 | S | A | -1.0920 | |
| 254 | A | A | -1.7046 | |
| 255 | Q | A | -2.9076 | |
| 256 | N | A | -3.3968 | |
| 257 | K | A | -3.0048 | |
| 258 | D | A | -1.5706 | |
| 259 | L | A | 1.1873 | |
| 260 | L | A | 1.1830 | |
| 261 | F | A | 2.2809 | |
| 262 | S | A | 0.6018 | |
| 263 | R | A | -0.5259 | |
| 264 | G | A | 0.0000 | |
| 265 | S | A | -0.0045 | |
| 266 | P | A | 0.1975 | |
| 267 | A | A | 0.0832 | |
| 268 | G | A | -0.0379 | |
| 269 | M | A | -0.1187 | |
| 270 | S | A | -0.1362 | |
| 271 | V | A | 0.7319 | |
| 272 | Q | A | 0.0000 | |
| 273 | P | A | -0.2667 | |
| 274 | K | A | -1.1776 | |
| 275 | N | A | -1.2516 | |
| 276 | W | A | 0.2215 | |
| 277 | L | A | 0.5670 | |
| 278 | P | A | 0.5064 | |
| 279 | G | A | 0.0000 | |
| 280 | P | A | 0.3266 | |
| 281 | C | A | 0.0000 | |
| 282 | Y | A | 0.0190 | |
| 283 | R | A | -1.1289 | |
| 284 | Q | A | 0.0000 | |
| 285 | Q | A | -1.2090 | |
| 286 | R | A | -1.4597 | |
| 287 | V | A | -1.4522 | |
| 288 | S | A | 0.0000 | |
| 289 | K | A | -2.0427 | |
| 290 | T | A | -1.8738 | |
| 291 | K | A | -2.7203 | |
| 292 | T | A | -2.0639 | |
| 293 | D | A | -2.5325 | |
| 294 | N | A | -2.6171 | |
| 295 | N | A | -2.7211 | |
| 296 | N | A | -2.6380 | |
| 297 | S | A | -1.8149 | |
| 298 | N | A | -1.6382 | |
| 299 | F | A | -0.7352 | |
| 300 | T | A | -0.0816 | |
| 301 | W | A | 0.2860 | |
| 302 | T | A | -0.0828 | |
| 303 | G | A | -0.4379 | |
| 304 | A | A | -0.1358 | |
| 305 | S | A | -0.1115 | |
| 306 | K | A | -0.0385 | |
| 307 | Y | A | 0.2720 | |
| 308 | N | A | -1.3144 | |
| 309 | L | A | -0.6106 | |
| 310 | N | A | -1.8089 | |
| 311 | G | A | -1.7491 | |
| 312 | R | A | -2.4009 | |
| 313 | E | A | -1.8320 | |
| 314 | S | A | -0.6026 | |
| 315 | I | A | 0.1605 | |
| 316 | I | A | 0.1199 | |
| 317 | N | A | -0.8188 | |
| 318 | P | A | 0.0000 | |
| 319 | G | A | 0.0483 | |
| 320 | T | A | 0.1051 | |
| 321 | A | A | 0.1747 | |
| 322 | M | A | 0.0000 | |
| 323 | A | A | 0.0000 | |
| 324 | S | A | 0.0000 | |
| 325 | H | A | 0.0000 | |
| 326 | K | A | -3.2143 | |
| 327 | D | A | -3.9254 | |
| 328 | D | A | -3.9239 | |
| 329 | E | A | -3.6493 | |
| 330 | D | A | -4.0528 | |
| 331 | K | A | -2.8183 | |
| 332 | F | A | 0.0000 | |
| 333 | F | A | -1.1934 | |
| 334 | P | A | 0.0000 | |
| 335 | M | A | -0.4516 | |
| 336 | S | A | -0.2889 | |
| 337 | G | A | 0.0000 | |
| 338 | V | A | 0.0000 | |
| 339 | M | A | 0.6058 | |
| 340 | I | A | 1.5025 | |
| 341 | F | A | 0.2299 | |
| 342 | G | A | -1.1956 | |
| 343 | K | A | -2.3462 | |
| 344 | E | A | -2.4050 | |
| 345 | S | A | -1.7549 | |
| 346 | A | A | -1.6568 | |
| 347 | G | A | -1.2585 | |
| 348 | A | A | -0.6165 | |
| 349 | S | A | -0.9424 | |
| 350 | N | A | -1.3957 | |
| 351 | T | A | -1.0961 | |
| 352 | A | A | -0.7304 | |
| 353 | L | A | -0.8452 | |
| 354 | D | A | -1.7521 | |
| 355 | N | A | -1.6537 | |
| 356 | V | A | -0.6774 | |
| 357 | M | A | 0.0000 | |
| 358 | I | A | 0.4098 | |
| 359 | T | A | 0.0000 | |
| 360 | D | A | -1.3873 | |
| 361 | E | A | 0.0000 | |
| 362 | E | A | -2.4216 | |
| 363 | E | A | -1.5778 | |
| 364 | I | A | 0.0000 | |
| 365 | K | A | -1.4631 | |
| 366 | A | A | -0.9012 | |
| 367 | T | A | 0.0000 | |
| 368 | N | A | 0.0000 | |
| 369 | P | A | 0.0000 | |
| 370 | V | A | 0.0000 | |
| 371 | A | A | 0.0000 | |
| 372 | T | A | -1.2484 | |
| 373 | E | A | -1.7842 | |
| 374 | R | A | -2.1078 | |
| 375 | F | A | -0.7949 | |
| 376 | G | A | -0.8074 | |
| 377 | T | A | -0.3263 | |
| 378 | V | A | 0.9945 | |
| 379 | A | A | 1.0881 | |
| 380 | V | A | 1.7234 | |
| 381 | N | A | 0.6086 | |
| 382 | F | A | 1.0175 | |
| 383 | Q | A | -1.0923 | |
| 384 | S | A | -1.0440 | |
| 385 | S | A | -1.1694 | |
| 386 | S | A | -1.0421 | |
| 387 | T | A | -1.3380 | |
| 388 | D | A | -2.2406 | |
| 389 | P | A | -1.0665 | |
| 390 | A | A | -0.0217 | |
| 391 | T | A | 0.2790 | |
| 392 | G | A | -0.3146 | |
| 393 | D | A | -1.8277 | |
| 394 | V | A | -1.1072 | |
| 395 | H | A | -1.4279 | |
| 396 | A | A | -0.4766 | |
| 397 | M | A | -0.0653 | |
| 398 | G | A | -0.0927 | |
| 399 | A | A | 0.4030 | |
| 400 | L | A | 0.5919 | |
| 401 | P | A | 0.1963 | |
| 402 | G | A | 0.0871 | |
| 403 | M | A | 0.6225 | |
| 404 | V | A | 0.9570 | |
| 405 | W | A | 0.3828 | |
| 406 | Q | A | -0.3368 | |
| 407 | D | A | -0.4745 | |
| 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 | -0.4966 | |
| 419 | K | A | -1.3040 | |
| 420 | I | A | 0.0000 | |
| 421 | P | A | -1.4636 | |
| 422 | H | A | -1.9471 | |
| 423 | T | A | -1.7302 | |
| 424 | D | A | -2.3832 | |
| 425 | G | A | -1.4372 | |
| 426 | H | A | -0.5567 | |
| 427 | F | A | 1.2461 | |
| 428 | H | A | -0.0015 | |
| 429 | P | A | -0.1586 | |
| 430 | S | A | -0.0173 | |
| 431 | P | A | 0.2390 | |
| 432 | L | A | 0.9048 | |
| 433 | M | A | 0.3589 | |
| 434 | G | A | 0.0000 | |
| 435 | G | A | -0.0005 | |
| 436 | F | A | 0.0000 | |
| 437 | G | A | -0.7939 | |
| 438 | L | A | 0.0000 | |
| 439 | K | A | -2.4179 | |
| 440 | N | A | -2.3688 | |
| 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 | 0.1670 | |
| 451 | P | A | 0.0345 | |
| 452 | V | A | 0.3896 | |
| 453 | P | A | 0.1660 | |
| 454 | A | A | -0.2534 | |
| 455 | N | A | -1.3083 | |
| 456 | P | A | -0.8452 | |
| 457 | P | A | -0.8283 | |
| 458 | A | A | -0.7458 | |
| 459 | E | A | -1.0200 | |
| 460 | F | A | 0.8889 | |
| 461 | S | A | 0.0523 | |
| 462 | A | A | 0.0472 | |
| 463 | T | A | -0.4637 | |
| 464 | K | A | -1.3368 | |
| 465 | F | A | -0.0171 | |
| 466 | A | A | -0.0732 | |
| 467 | S | A | -0.2208 | |
| 468 | F | A | 0.3332 | |
| 469 | I | A | 0.5353 | |
| 470 | T | A | 0.1818 | |
| 471 | Q | A | 0.0000 | |
| 472 | Y | A | 0.3385 | |
| 473 | S | A | 0.0000 | |
| 474 | T | A | 0.0214 | |
| 475 | G | A | 0.0000 | |
| 476 | Q | A | -0.3214 | |
| 477 | V | A | 0.0000 | |
| 478 | S | A | -0.6288 | |
| 479 | V | A | 0.0000 | |
| 480 | E | A | -1.0950 | |
| 481 | I | A | 0.0000 | |
| 482 | E | A | -0.9135 | |
| 483 | W | A | 0.0000 | |
| 484 | E | A | -1.2833 | |
| 485 | L | A | 0.0000 | |
| 486 | Q | A | -1.8871 | |
| 487 | K | A | -2.3998 | |
| 488 | E | A | -2.4015 | |
| 489 | N | A | -2.5917 | |
| 490 | S | A | -2.1255 | |
| 491 | K | A | -2.3271 | |
| 492 | R | A | -1.5420 | |
| 493 | W | A | 0.1138 | |
| 494 | N | A | -0.1915 | |
| 495 | P | A | -0.1328 | |
| 496 | E | A | 0.1954 | |
| 497 | V | A | 1.2898 | |
| 498 | Q | A | 0.0024 | |
| 499 | Y | A | -0.1551 | |
| 500 | T | A | -0.1747 | |
| 501 | S | A | -0.4205 | |
| 502 | N | A | -0.8676 | |
| 503 | Y | A | 0.3129 | |
| 504 | A | A | -0.3913 | |
| 505 | K | A | -1.6167 | |
| 506 | S | A | -1.1143 | |
| 507 | A | A | -0.8197 | |
| 508 | N | A | -1.0672 | |
| 509 | V | A | 0.3524 | |
| 510 | D | A | -0.7845 | |
| 511 | F | A | -0.3247 | |
| 512 | T | A | 0.3621 | |
| 513 | V | A | 0.3137 | |
| 514 | D | A | -1.2342 | |
| 515 | N | A | -2.1511 | |
| 516 | N | A | -1.9152 | |
| 517 | G | A | -0.9964 | |
| 518 | L | A | -0.3150 | |
| 519 | Y | A | -0.1087 | |
| 520 | T | A | -0.4762 | |
| 521 | E | A | -1.2227 | |
| 522 | P | A | -1.2911 | |
| 523 | R | A | -1.7104 | |
| 524 | P | A | -0.7327 | |
| 525 | I | A | 0.0000 | |
| 526 | G | A | -0.3234 | |
| 527 | T | A | 0.0000 | |
| 528 | R | A | 0.0000 | |
| 529 | Y | A | 0.3205 | |
| 530 | L | A | 0.0000 | |
| 531 | T | A | -0.5344 | |
| 532 | R | A | -1.4799 | |
| 533 | P | A | -0.6938 | |
| 534 | L | A | 0.3226 |
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 | -0.1182 | 4.2688 | View | CSV | PDB |
| 4.5 | -0.1655 | 4.1679 | View | CSV | PDB |
| 5.0 | -0.2203 | 4.0961 | View | CSV | PDB |
| 5.5 | -0.2752 | 4.0779 | View | CSV | PDB |
| 6.0 | -0.3229 | 4.0594 | View | CSV | PDB |
| 6.5 | -0.3573 | 4.041 | View | CSV | PDB |
| 7.0 | -0.378 | 4.0226 | View | CSV | PDB |
| 7.5 | -0.3893 | 4.0047 | View | CSV | PDB |
| 8.0 | -0.394 | 3.9878 | View | CSV | PDB |
| 8.5 | -0.3911 | 3.9736 | View | CSV | PDB |
| 9.0 | -0.3786 | 3.9636 | 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