| Chain sequence(s) | GADGVGNSSGNWHCDSTWMGDRVITTSTRTWALPTYNNHLYKQISSQSGASNDNHYFGYSTPWGYFDFNRFHCHFSPRDWQRLINNNWGFRPKRLNFKLFNIQVKEVTQNDGTTTIANNLTSTVQVFTDSEYQLPYVLGSAHQGCLPPFPADVFMVPQYGYLTLNNGSQAVGRSSFYCLEYFPSQMLRTGNNFTFSYTFEDVPFHSSYAHSQSLDRLMNPLIDQYLYYLSRTNTPSGTTTQSRLQFSQAGASDIRDQSRNWLPGPCYRQQRVSKTSADNNNSEYSWTGATKYHLNGRDSLVNPGPAMASHKDDEEKFFPQSGVLIFGKQGSEKTNVDIEKVMITDEEEIRTTNPVATEQYGSVSTNLQRGNRQAATADVNTQGVLPGMVWQDRDVYLQGPIWAKIPHTDGHFHPSPLMGGFGLKHPPPQILIKNTPVPANPSTTFSAAKFASFITQYSTGQVSVEIEWELQKENSKRWNPEIQYTSNYNKSVNVDFTVDTNGVYSEPRPIGTRYLTRNL 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 (00:04:24)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/fc8038bb80a9c/tmp/folded.pdb (00:04:24)
[INFO] Main: Simulation completed successfully. (00:15:17)
|
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 | -1.1013 | |
| 16 | A | A | -1.3863 | |
| 17 | D | A | -2.1865 | |
| 18 | G | A | -1.0301 | |
| 19 | V | A | 0.6425 | |
| 20 | G | A | -0.7054 | |
| 21 | N | A | -1.7403 | |
| 22 | S | A | -1.4125 | |
| 23 | S | A | -1.4980 | |
| 24 | G | A | -1.2460 | |
| 25 | N | A | -1.1987 | |
| 26 | W | A | -0.2907 | |
| 27 | H | A | -1.1569 | |
| 28 | C | A | -0.8890 | |
| 29 | D | A | -1.8191 | |
| 30 | S | A | -0.9046 | |
| 31 | T | A | -0.2305 | |
| 32 | W | A | -0.2989 | |
| 33 | M | A | -0.0259 | |
| 34 | G | A | -1.1573 | |
| 35 | D | A | -2.2472 | |
| 36 | R | A | -1.3455 | |
| 37 | V | A | 0.0000 | |
| 38 | I | A | -0.4156 | |
| 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 | 0.4381 | |
| 45 | W | A | 0.0000 | |
| 46 | A | A | 0.7019 | |
| 47 | L | A | 0.0000 | |
| 48 | P | A | 0.0632 | |
| 49 | T | A | -0.3133 | |
| 50 | Y | A | -0.3603 | |
| 51 | N | A | -0.9704 | |
| 52 | N | A | -1.2287 | |
| 53 | H | A | -0.5447 | |
| 54 | L | A | -0.3649 | |
| 55 | Y | A | -0.5320 | |
| 56 | K | A | -1.5019 | |
| 57 | Q | A | -1.0226 | |
| 58 | I | A | -0.2370 | |
| 59 | S | A | -0.4218 | |
| 60 | S | A | 0.0000 | |
| 61 | Q | A | -1.5749 | |
| 62 | S | A | -1.2362 | |
| 63 | G | A | -1.3110 | |
| 64 | A | A | -1.5414 | |
| 65 | S | A | -1.8257 | |
| 66 | N | A | -2.6095 | |
| 67 | D | A | -2.3292 | |
| 68 | N | A | -2.3831 | |
| 69 | H | A | -2.0501 | |
| 70 | Y | A | -0.3296 | |
| 71 | F | A | 0.0000 | |
| 72 | G | A | 0.0000 | |
| 73 | Y | A | 0.1899 | |
| 74 | S | A | -0.3684 | |
| 75 | T | A | 0.0000 | |
| 76 | P | A | 0.0000 | |
| 77 | W | A | 0.0000 | |
| 78 | G | A | 0.0000 | |
| 79 | Y | A | 0.0000 | |
| 80 | F | A | 0.0000 | |
| 81 | D | A | 0.0000 | |
| 82 | F | A | 0.0000 | |
| 83 | N | A | 0.0000 | |
| 84 | R | A | -0.7211 | |
| 85 | F | A | 0.0000 | |
| 86 | H | A | 0.0000 | |
| 87 | C | A | 0.0000 | |
| 88 | H | A | 0.0000 | |
| 89 | F | A | 0.0000 | |
| 90 | S | A | -1.1701 | |
| 91 | P | A | -1.5014 | |
| 92 | R | A | -2.5776 | |
| 93 | D | A | -2.0430 | |
| 94 | W | A | 0.0000 | |
| 95 | Q | A | -2.2436 | |
| 96 | R | A | -2.5117 | |
| 97 | L | A | 0.0000 | |
| 98 | I | A | 0.0000 | |
| 99 | N | A | -1.1518 | |
| 100 | N | A | -2.0117 | |
| 101 | N | A | 0.0000 | |
| 102 | W | A | -1.0467 | |
| 103 | G | A | 0.0000 | |
| 104 | F | A | 0.0000 | |
| 105 | R | A | -0.9672 | |
| 106 | P | A | 0.0000 | |
| 107 | K | A | -1.9916 | |
| 108 | R | A | -2.0472 | |
| 109 | L | A | 0.0000 | |
| 110 | N | A | -1.0693 | |
| 111 | F | A | 0.0000 | |
| 112 | K | A | -1.0905 | |
| 113 | L | A | 0.0000 | |
| 114 | F | A | 0.0000 | |
| 115 | N | A | -1.2993 | |
| 116 | I | A | 0.0000 | |
| 117 | Q | A | -1.2421 | |
| 118 | V | A | 0.0000 | |
| 119 | K | A | -0.6563 | |
| 120 | E | A | -0.1057 | |
| 121 | V | A | 0.0527 | |
| 122 | T | A | -0.7762 | |
| 123 | Q | A | -2.1980 | |
| 124 | N | A | -2.9053 | |
| 125 | D | A | -2.9299 | |
| 126 | G | A | -2.0734 | |
| 127 | T | A | -1.6941 | |
| 128 | T | A | -0.9224 | |
| 129 | T | A | -0.0564 | |
| 130 | I | A | 0.7312 | |
| 131 | A | A | -0.1272 | |
| 132 | N | A | -1.2452 | |
| 133 | N | A | -0.8781 | |
| 134 | L | A | -0.0552 | |
| 135 | T | A | -0.4002 | |
| 136 | S | A | 0.0000 | |
| 137 | T | A | 0.0000 | |
| 138 | V | A | 0.0000 | |
| 139 | Q | A | -0.4067 | |
| 140 | V | A | 0.0000 | |
| 141 | F | A | 0.0000 | |
| 142 | T | A | -0.4183 | |
| 143 | D | A | 0.0000 | |
| 144 | S | A | -1.3072 | |
| 145 | E | A | -2.2498 | |
| 146 | Y | A | -1.3439 | |
| 147 | Q | A | -1.3446 | |
| 148 | L | A | 0.0000 | |
| 149 | P | A | 0.4192 | |
| 150 | Y | A | 0.1043 | |
| 151 | V | A | 0.3750 | |
| 152 | L | A | 0.0000 | |
| 153 | G | A | -0.3086 | |
| 154 | S | A | -0.4638 | |
| 155 | A | A | -0.6532 | |
| 156 | H | A | -1.2374 | |
| 157 | Q | A | -1.5892 | |
| 158 | G | A | -0.6276 | |
| 159 | C | A | -0.4193 | |
| 160 | L | A | 0.0000 | |
| 161 | P | A | -0.0899 | |
| 162 | P | A | -0.2564 | |
| 163 | F | A | 0.3189 | |
| 164 | P | A | -0.0672 | |
| 165 | A | A | -0.2656 | |
| 166 | D | A | -0.6155 | |
| 167 | V | A | 1.2594 | |
| 168 | F | A | 1.0668 | |
| 169 | M | A | 1.3282 | |
| 170 | V | A | 0.0000 | |
| 171 | P | A | -0.2276 | |
| 172 | Q | A | -0.3257 | |
| 173 | Y | A | 0.0000 | |
| 174 | G | A | -0.0153 | |
| 175 | Y | A | 0.0000 | |
| 176 | L | A | 1.9010 | |
| 177 | T | A | 1.1105 | |
| 178 | L | A | 0.0579 | |
| 179 | N | A | -0.7974 | |
| 180 | N | A | -1.8722 | |
| 181 | G | A | -1.8778 | |
| 182 | S | A | -1.5625 | |
| 183 | Q | A | -1.4723 | |
| 184 | A | A | -0.9739 | |
| 185 | V | A | -0.8017 | |
| 186 | G | A | -1.0611 | |
| 187 | R | A | -1.6609 | |
| 188 | S | A | -0.3380 | |
| 189 | S | A | 0.6418 | |
| 190 | F | A | 1.6962 | |
| 191 | Y | A | 1.1864 | |
| 192 | C | A | 0.8580 | |
| 193 | L | A | 0.0000 | |
| 194 | E | A | -0.1978 | |
| 195 | Y | A | 1.0138 | |
| 196 | F | A | 0.3813 | |
| 197 | P | A | -0.2100 | |
| 198 | S | A | -0.4849 | |
| 199 | Q | A | -1.0774 | |
| 200 | M | A | -0.0637 | |
| 201 | L | A | 0.0000 | |
| 202 | R | A | -1.5952 | |
| 203 | T | A | -1.1985 | |
| 204 | G | A | -1.5432 | |
| 205 | N | A | -1.8021 | |
| 206 | N | A | -1.4228 | |
| 207 | F | A | 0.0000 | |
| 208 | T | A | -0.5197 | |
| 209 | F | A | -0.0922 | |
| 210 | S | A | -0.5847 | |
| 211 | Y | A | -0.5860 | |
| 212 | T | A | -1.3359 | |
| 213 | F | A | 0.0000 | |
| 214 | E | A | -2.0654 | |
| 215 | D | A | -2.1514 | |
| 216 | V | A | 0.0000 | |
| 217 | P | A | -0.4926 | |
| 218 | F | A | -0.1439 | |
| 219 | H | A | -0.1664 | |
| 220 | S | A | -0.1442 | |
| 221 | S | A | 0.0000 | |
| 222 | Y | A | -0.4089 | |
| 223 | A | A | -0.4859 | |
| 224 | H | A | -1.0408 | |
| 225 | S | A | -1.1119 | |
| 226 | Q | A | -1.4803 | |
| 227 | S | A | -1.5420 | |
| 228 | L | A | 0.0000 | |
| 229 | D | A | -2.8672 | |
| 230 | R | A | -2.6911 | |
| 231 | L | A | -0.9134 | |
| 232 | M | A | -0.5649 | |
| 233 | N | A | -0.4885 | |
| 234 | P | A | 0.1400 | |
| 235 | L | A | 1.6581 | |
| 236 | I | A | 1.6313 | |
| 237 | D | A | -0.5328 | |
| 238 | Q | A | 0.3545 | |
| 239 | Y | A | 1.4712 | |
| 240 | L | A | 1.6711 | |
| 241 | Y | A | 2.2967 | |
| 242 | Y | A | 1.3586 | |
| 243 | L | A | 1.4295 | |
| 244 | S | A | 0.0977 | |
| 245 | R | A | -1.7888 | |
| 246 | T | A | -1.5803 | |
| 247 | N | A | -2.8778 | |
| 248 | T | A | -2.0129 | |
| 249 | P | A | -1.2839 | |
| 250 | S | A | -1.0231 | |
| 251 | G | A | -0.7779 | |
| 252 | T | A | -0.4086 | |
| 253 | T | A | -0.6356 | |
| 254 | T | A | -1.5362 | |
| 255 | Q | A | -2.2346 | |
| 256 | S | A | -2.3357 | |
| 257 | R | A | -2.6373 | |
| 258 | L | A | -0.2256 | |
| 259 | Q | A | -0.1858 | |
| 260 | F | A | 1.9844 | |
| 261 | S | A | 0.9392 | |
| 262 | Q | A | 0.3524 | |
| 263 | A | A | 0.0000 | |
| 264 | G | A | -0.5919 | |
| 265 | A | A | -0.2715 | |
| 266 | S | A | -0.8025 | |
| 267 | D | A | -1.2494 | |
| 268 | I | A | -1.7272 | |
| 269 | R | A | -2.6819 | |
| 270 | D | A | -1.3943 | |
| 271 | Q | A | 0.0000 | |
| 272 | S | A | -0.6883 | |
| 273 | R | A | -1.5544 | |
| 274 | N | A | -1.1585 | |
| 275 | W | A | 0.2002 | |
| 276 | L | A | 0.7084 | |
| 277 | P | A | 0.4419 | |
| 278 | G | A | 0.0000 | |
| 279 | P | A | 0.3586 | |
| 280 | C | A | 0.0000 | |
| 281 | Y | A | -0.6052 | |
| 282 | R | A | -1.4084 | |
| 283 | Q | A | 0.0000 | |
| 284 | Q | A | -1.6844 | |
| 285 | R | A | -1.8123 | |
| 286 | V | A | 0.0000 | |
| 287 | S | A | 0.0000 | |
| 288 | K | A | -1.8132 | |
| 289 | T | A | -1.1371 | |
| 290 | S | A | -1.2236 | |
| 291 | A | A | -1.3535 | |
| 292 | D | A | -2.2401 | |
| 293 | N | A | -2.3965 | |
| 294 | N | A | -2.7115 | |
| 295 | N | A | -2.6126 | |
| 296 | S | A | -2.1033 | |
| 297 | E | A | -2.2238 | |
| 298 | Y | A | -1.1051 | |
| 299 | S | A | -0.5321 | |
| 300 | W | A | 0.2225 | |
| 301 | T | A | -0.1896 | |
| 302 | G | A | -0.6278 | |
| 303 | A | A | -0.2497 | |
| 304 | T | A | -0.2259 | |
| 305 | K | A | 0.2176 | |
| 306 | Y | A | 0.9386 | |
| 307 | H | A | -0.4908 | |
| 308 | L | A | 0.1458 | |
| 309 | N | A | -1.4393 | |
| 310 | G | A | -1.5743 | |
| 311 | R | A | -1.9673 | |
| 312 | D | A | -1.2710 | |
| 313 | S | A | -0.2150 | |
| 314 | L | A | 0.4025 | |
| 315 | V | A | 0.0000 | |
| 316 | N | A | -0.8736 | |
| 317 | P | A | 0.0000 | |
| 318 | G | A | 0.0000 | |
| 319 | P | A | -0.0069 | |
| 320 | A | A | 0.0321 | |
| 321 | M | A | 0.0000 | |
| 322 | A | A | 0.0000 | |
| 323 | S | A | 0.0000 | |
| 324 | H | A | 0.0000 | |
| 325 | K | A | -3.3273 | |
| 326 | D | A | -3.8803 | |
| 327 | D | A | -3.7547 | |
| 328 | E | A | -3.2814 | |
| 329 | E | A | -3.7481 | |
| 330 | K | A | -2.5652 | |
| 331 | F | A | -2.1206 | |
| 332 | F | A | 0.0000 | |
| 333 | P | A | 0.0000 | |
| 334 | Q | A | -0.9741 | |
| 335 | S | A | 0.0000 | |
| 336 | G | A | 0.0000 | |
| 337 | V | A | 0.0000 | |
| 338 | L | A | 0.5472 | |
| 339 | I | A | 1.2433 | |
| 340 | F | A | 0.1472 | |
| 341 | G | A | -1.7187 | |
| 342 | K | A | -2.6031 | |
| 343 | Q | A | -2.2503 | |
| 344 | G | A | -2.0806 | |
| 345 | S | A | -2.8753 | |
| 346 | E | A | -3.5512 | |
| 347 | K | A | -2.9189 | |
| 348 | T | A | -2.1067 | |
| 349 | N | A | -2.1493 | |
| 350 | V | A | -2.1857 | |
| 351 | D | A | -2.3798 | |
| 352 | I | A | -1.1443 | |
| 353 | E | A | -2.4181 | |
| 354 | K | A | -2.7376 | |
| 355 | V | A | -1.1721 | |
| 356 | M | A | 0.0000 | |
| 357 | I | A | 0.3176 | |
| 358 | T | A | 0.0000 | |
| 359 | D | A | -1.1222 | |
| 360 | E | A | 0.0000 | |
| 361 | E | A | -2.1053 | |
| 362 | E | A | -1.2790 | |
| 363 | I | A | 0.0000 | |
| 364 | R | A | -1.6476 | |
| 365 | T | A | -1.2060 | |
| 366 | T | A | 0.0000 | |
| 367 | N | A | 0.0000 | |
| 368 | P | A | 0.0000 | |
| 369 | V | A | 0.0000 | |
| 370 | A | A | 0.0000 | |
| 371 | T | A | -1.4984 | |
| 372 | E | A | -1.8745 | |
| 373 | Q | A | -1.7535 | |
| 374 | Y | A | -0.8204 | |
| 375 | G | A | -0.6875 | |
| 376 | S | A | -0.2974 | |
| 377 | V | A | 1.0941 | |
| 378 | S | A | 0.3247 | |
| 379 | T | A | -0.0168 | |
| 380 | N | A | -0.4332 | |
| 381 | L | A | -0.0551 | |
| 382 | Q | A | -2.4186 | |
| 383 | R | A | -3.2399 | |
| 384 | G | A | -2.6506 | |
| 385 | N | A | -2.8685 | |
| 386 | R | A | -2.8617 | |
| 387 | Q | A | -2.5338 | |
| 388 | A | A | -1.2872 | |
| 389 | A | A | -0.3321 | |
| 390 | T | A | -0.0856 | |
| 391 | A | A | -0.6421 | |
| 392 | D | A | -1.8586 | |
| 393 | V | A | -1.1113 | |
| 394 | N | A | -1.7667 | |
| 395 | T | A | -0.9937 | |
| 396 | Q | A | -0.3357 | |
| 397 | G | A | 0.1077 | |
| 398 | V | A | 1.3185 | |
| 399 | L | A | 1.0243 | |
| 400 | P | A | 0.4771 | |
| 401 | G | A | 0.3098 | |
| 402 | M | A | 0.0000 | |
| 403 | V | A | 1.0899 | |
| 404 | W | A | 0.2743 | |
| 405 | Q | A | -0.4106 | |
| 406 | D | A | -0.4949 | |
| 407 | R | A | 0.0000 | |
| 408 | D | A | 0.0000 | |
| 409 | V | A | 0.0000 | |
| 410 | Y | A | 0.0000 | |
| 411 | L | A | 0.0000 | |
| 412 | Q | A | 0.0000 | |
| 413 | G | A | 0.0000 | |
| 414 | P | A | -0.3390 | |
| 415 | I | A | 0.0000 | |
| 416 | W | A | 0.0000 | |
| 417 | A | A | -0.4157 | |
| 418 | K | A | -1.1537 | |
| 419 | I | A | 0.0000 | |
| 420 | P | A | -1.5140 | |
| 421 | H | A | -2.0116 | |
| 422 | T | A | -1.8030 | |
| 423 | D | A | -2.4534 | |
| 424 | G | A | -1.5369 | |
| 425 | H | A | -0.8937 | |
| 426 | F | A | 1.1716 | |
| 427 | H | A | -0.0508 | |
| 428 | P | A | -0.2188 | |
| 429 | S | A | 0.0744 | |
| 430 | P | A | 0.2938 | |
| 431 | L | A | 0.9398 | |
| 432 | M | A | 0.3996 | |
| 433 | G | A | 0.0000 | |
| 434 | G | A | -0.0339 | |
| 435 | F | A | 0.0000 | |
| 436 | G | A | -0.7458 | |
| 437 | L | A | 0.0000 | |
| 438 | K | A | -2.5055 | |
| 439 | H | A | -2.1814 | |
| 440 | P | A | 0.0000 | |
| 441 | P | A | 0.0000 | |
| 442 | P | A | 0.0000 | |
| 443 | Q | A | 0.0000 | |
| 444 | I | A | 0.0000 | |
| 445 | L | A | 0.0000 | |
| 446 | I | A | 0.0000 | |
| 447 | K | A | 0.0000 | |
| 448 | N | A | 0.0000 | |
| 449 | T | A | 0.1978 | |
| 450 | P | A | 0.2283 | |
| 451 | V | A | 0.6067 | |
| 452 | P | A | 0.3524 | |
| 453 | A | A | -0.1115 | |
| 454 | N | A | -1.2942 | |
| 455 | P | A | -0.5331 | |
| 456 | S | A | -0.2905 | |
| 457 | T | A | 0.0109 | |
| 458 | T | A | 0.6737 | |
| 459 | F | A | 1.7309 | |
| 460 | S | A | 0.5908 | |
| 461 | A | A | 0.1912 | |
| 462 | A | A | -0.1956 | |
| 463 | K | A | -1.0137 | |
| 464 | F | A | 0.5954 | |
| 465 | A | A | 0.1418 | |
| 466 | S | A | -0.0232 | |
| 467 | F | A | 0.5379 | |
| 468 | I | A | 0.7460 | |
| 469 | T | A | 0.2091 | |
| 470 | Q | A | 0.0000 | |
| 471 | Y | A | 0.3325 | |
| 472 | S | A | 0.0000 | |
| 473 | T | A | 0.0470 | |
| 474 | G | A | 0.0000 | |
| 475 | Q | A | -0.3411 | |
| 476 | V | A | 0.0000 | |
| 477 | S | A | -0.6558 | |
| 478 | V | A | 0.0000 | |
| 479 | E | A | -1.2666 | |
| 480 | I | A | 0.0000 | |
| 481 | E | A | -1.2436 | |
| 482 | W | A | 0.0000 | |
| 483 | E | A | -1.4386 | |
| 484 | L | A | 0.0000 | |
| 485 | Q | A | -2.0774 | |
| 486 | K | A | -2.7984 | |
| 487 | E | A | -2.4922 | |
| 488 | N | A | -2.6942 | |
| 489 | S | A | -2.2712 | |
| 490 | K | A | -2.4063 | |
| 491 | R | A | -1.8024 | |
| 492 | W | A | -0.1031 | |
| 493 | N | A | -0.8079 | |
| 494 | P | A | -0.3260 | |
| 495 | E | A | 0.1910 | |
| 496 | I | A | 1.4500 | |
| 497 | Q | A | -0.2508 | |
| 498 | Y | A | 0.0000 | |
| 499 | T | A | -0.3604 | |
| 500 | S | A | -0.9429 | |
| 501 | N | A | -1.3398 | |
| 502 | Y | A | -0.3780 | |
| 503 | N | A | -1.9333 | |
| 504 | K | A | -1.8849 | |
| 505 | S | A | -0.5755 | |
| 506 | V | A | 0.9298 | |
| 507 | N | A | -0.0740 | |
| 508 | V | A | 0.7038 | |
| 509 | D | A | -0.4153 | |
| 510 | F | A | 0.0000 | |
| 511 | T | A | 0.4008 | |
| 512 | V | A | 0.5146 | |
| 513 | D | A | -0.4083 | |
| 514 | T | A | -0.9325 | |
| 515 | N | A | -1.2793 | |
| 516 | G | A | -0.7197 | |
| 517 | V | A | 0.0379 | |
| 518 | Y | A | 0.0209 | |
| 519 | S | A | -0.4601 | |
| 520 | E | A | -1.0172 | |
| 521 | P | A | -1.0420 | |
| 522 | R | A | -1.0772 | |
| 523 | P | A | -0.4459 | |
| 524 | I | A | 0.0000 | |
| 525 | G | A | -0.2617 | |
| 526 | T | A | 0.0000 | |
| 527 | R | A | 0.0000 | |
| 528 | Y | A | 0.3744 | |
| 529 | L | A | 0.0000 | |
| 530 | T | A | -0.7559 | |
| 531 | R | A | -1.9203 | |
| 532 | N | A | -1.4681 | |
| 533 | L | A | -0.1182 |
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 | -0.3402 | 4.358 | View | CSV | PDB |
| 4.5 | -0.3878 | 4.1794 | View | CSV | PDB |
| 5.0 | -0.4429 | 4.016 | View | CSV | PDB |
| 5.5 | -0.4968 | 4.016 | View | CSV | PDB |
| 6.0 | -0.541 | 4.016 | View | CSV | PDB |
| 6.5 | -0.571 | 4.016 | View | CSV | PDB |
| 7.0 | -0.589 | 4.016 | View | CSV | PDB |
| 7.5 | -0.6 | 4.016 | View | CSV | PDB |
| 8.0 | -0.6063 | 4.016 | View | CSV | PDB |
| 8.5 | -0.6064 | 4.016 | View | CSV | PDB |
| 9.0 | -0.598 | 4.016 | 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