| Chain sequence(s) | MSVRRPQFSTTERVIKAVPFPPTRRLTLKEVFENGKPKMDLLKNHLVKEGRVEEEVALKIINDGAAILKQEKTMIEVEAPITVCGDVHGQFFDLMKLFEVGGSPSNTRYLFLGDYVDRGYFSIECVLYLWSLKINHPKTLFLLRGNHECRHLTEYFTFKQECRIKYSEMVYDACMHTFDCLPLAALLNQQFLCVHGGMSPEITCLEDIRKLDRFSEPPAFGPVCDLLWSDPLEDYGSEKTLEHYTHNTVRGCSYFFSYPAVCEFLQNNSLLSIIRAHEAQDAGYRMYRKNQATGFPSLITIFSAPNYLDVYNNKAAVLKYENNVMNIRQFNCSPHPYWLPNFMDVFTWSLPFVGEKVTEMLVNILNICSDEEMNVTDEEGATTGRKEVIKNKIRAIGKMARVFTVLREESENVLTLKGLTPTGTLPLGVLSGGKQTIETAKQEAAEEREAIRGFTIAHRIRSFEEARGLDRINERMPPRKEASYHHDAGRMHSHSHPPHPQASRRTDHGKKAL 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] (00:00:04)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:04)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with A chain(s) selected (00:00:04)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:04)
[INFO] PDB-Info: The input structure is globular. Max score is recommended for pH analysis. (00:00:13)
[INFO] FoldX: Starting FoldX energy minimization (00:00:13)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:15:43)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/b7b5f922162959/tmp/folded.pdb (00:15:43)
[INFO] Main: Simulation completed successfully. (00:20:11)
|
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 | |
| 1 | M | A | 1.2176 | |
| 2 | S | A | 0.3357 | |
| 3 | V | A | 0.5143 | |
| 4 | R | A | -2.0700 | |
| 5 | R | A | -2.5620 | |
| 6 | P | A | -1.6795 | |
| 7 | Q | A | -1.6265 | |
| 8 | F | A | 0.0810 | |
| 9 | S | A | -0.3721 | |
| 10 | T | A | -0.4323 | |
| 11 | T | A | -0.8356 | |
| 12 | E | A | -1.4701 | |
| 13 | R | A | -0.0804 | |
| 14 | V | A | 1.7716 | |
| 15 | I | A | 1.8434 | |
| 16 | K | A | -0.2058 | |
| 17 | A | A | 0.7063 | |
| 18 | V | A | 1.5863 | |
| 19 | P | A | 0.8770 | |
| 20 | F | A | 1.2952 | |
| 21 | P | A | 0.2499 | |
| 22 | P | A | -0.7383 | |
| 23 | T | A | -0.9505 | |
| 24 | R | A | -2.4246 | |
| 25 | R | A | -2.0839 | |
| 26 | L | A | 0.0000 | |
| 27 | T | A | -1.6642 | |
| 28 | L | A | -1.6845 | |
| 29 | K | A | -2.0874 | |
| 30 | E | A | -1.4969 | |
| 31 | V | A | 0.0000 | |
| 32 | F | A | -2.0825 | |
| 33 | E | A | -3.2394 | |
| 34 | N | A | -2.6119 | |
| 35 | G | A | -2.0931 | |
| 36 | K | A | -2.0963 | |
| 37 | P | A | 0.0000 | |
| 38 | K | A | -1.8212 | |
| 39 | M | A | -1.3180 | |
| 40 | D | A | -2.2171 | |
| 41 | L | A | -1.1597 | |
| 42 | L | A | 0.0000 | |
| 43 | K | A | -1.7068 | |
| 44 | N | A | -1.9680 | |
| 45 | H | A | 0.0000 | |
| 46 | L | A | 0.0000 | |
| 47 | V | A | -0.6069 | |
| 48 | K | A | -0.9731 | |
| 49 | E | A | -0.6144 | |
| 50 | G | A | 0.0000 | |
| 51 | R | A | -1.2563 | |
| 52 | V | A | 0.0000 | |
| 53 | E | A | -2.4668 | |
| 54 | E | A | -2.0288 | |
| 55 | E | A | -2.5200 | |
| 56 | V | A | 0.0000 | |
| 57 | A | A | 0.0000 | |
| 58 | L | A | -1.4700 | |
| 59 | K | A | -1.7481 | |
| 60 | I | A | 0.0000 | |
| 61 | I | A | 0.0000 | |
| 62 | N | A | -1.5921 | |
| 63 | D | A | -1.1409 | |
| 64 | G | A | 0.0000 | |
| 65 | A | A | -1.3362 | |
| 66 | A | A | -1.0674 | |
| 67 | I | A | -0.8585 | |
| 68 | L | A | 0.0000 | |
| 69 | K | A | -2.4146 | |
| 70 | Q | A | -2.4276 | |
| 71 | E | A | -2.3556 | |
| 72 | K | A | -3.2179 | |
| 73 | T | A | 0.0000 | |
| 74 | M | A | 0.0000 | |
| 75 | I | A | 0.0000 | |
| 76 | E | A | -2.7511 | |
| 77 | V | A | 0.0000 | |
| 78 | E | A | -2.8886 | |
| 79 | A | A | -2.1252 | |
| 80 | P | A | -1.7141 | |
| 81 | I | A | 0.0000 | |
| 82 | T | A | 0.0000 | |
| 83 | V | A | 0.0000 | |
| 84 | C | A | 0.0000 | |
| 85 | G | A | 0.0000 | |
| 86 | D | A | 0.0000 | |
| 87 | V | A | 0.0000 | |
| 88 | H | A | 0.0000 | |
| 89 | G | A | 0.0000 | |
| 90 | Q | A | -0.2854 | |
| 91 | F | A | 0.0000 | |
| 92 | F | A | 0.0341 | |
| 93 | D | A | 0.0000 | |
| 94 | L | A | 0.0000 | |
| 95 | M | A | -0.5977 | |
| 96 | K | A | -1.3851 | |
| 97 | L | A | 0.0000 | |
| 98 | F | A | 0.0000 | |
| 99 | E | A | -1.9760 | |
| 100 | V | A | -1.2368 | |
| 101 | G | A | 0.0000 | |
| 102 | G | A | -1.0633 | |
| 103 | S | A | -1.0427 | |
| 104 | P | A | -0.9395 | |
| 105 | S | A | -1.0102 | |
| 106 | N | A | -1.5225 | |
| 107 | T | A | -0.9677 | |
| 108 | R | A | -1.1790 | |
| 109 | Y | A | 0.0000 | |
| 110 | L | A | 0.0000 | |
| 111 | F | A | 0.0000 | |
| 112 | L | A | 0.0000 | |
| 113 | G | A | 0.0000 | |
| 114 | D | A | 0.0000 | |
| 115 | Y | A | 0.0000 | |
| 116 | V | A | 0.0000 | |
| 117 | D | A | 0.0000 | |
| 118 | R | A | -0.0636 | |
| 119 | G | A | -0.1198 | |
| 120 | Y | A | 0.3566 | |
| 121 | F | A | 0.0000 | |
| 122 | S | A | 0.0000 | |
| 123 | I | A | 0.0000 | |
| 124 | E | A | 0.0000 | |
| 125 | C | A | 0.0000 | |
| 126 | V | A | 0.0000 | |
| 127 | L | A | 0.0000 | |
| 128 | Y | A | 0.0000 | |
| 129 | L | A | 0.0000 | |
| 130 | W | A | 0.0000 | |
| 131 | S | A | 0.0000 | |
| 132 | L | A | 0.0000 | |
| 133 | K | A | 0.0000 | |
| 134 | I | A | 0.0000 | |
| 135 | N | A | -0.8921 | |
| 136 | H | A | -1.1091 | |
| 137 | P | A | -0.9670 | |
| 138 | K | A | -1.8423 | |
| 139 | T | A | -1.4577 | |
| 140 | L | A | 0.0000 | |
| 141 | F | A | 0.0000 | |
| 142 | L | A | 0.0000 | |
| 143 | L | A | 0.0000 | |
| 144 | R | A | 0.0000 | |
| 145 | G | A | 0.0000 | |
| 146 | N | A | 0.0000 | |
| 147 | H | A | 0.0000 | |
| 148 | E | A | 0.0000 | |
| 149 | C | A | 0.0000 | |
| 150 | R | A | -1.1682 | |
| 151 | H | A | -1.1320 | |
| 152 | L | A | 0.0000 | |
| 153 | T | A | 0.0000 | |
| 154 | E | A | -0.9832 | |
| 155 | Y | A | -0.6390 | |
| 156 | F | A | -0.3196 | |
| 157 | T | A | -0.4519 | |
| 158 | F | A | 0.0000 | |
| 159 | K | A | -1.7588 | |
| 160 | Q | A | -1.5580 | |
| 161 | E | A | 0.0000 | |
| 162 | C | A | 0.0000 | |
| 163 | R | A | -2.0220 | |
| 164 | I | A | -0.1053 | |
| 165 | K | A | 0.0000 | |
| 166 | Y | A | -0.9657 | |
| 167 | S | A | -1.5132 | |
| 168 | E | A | -2.3980 | |
| 169 | M | A | -0.8506 | |
| 170 | V | A | 0.0000 | |
| 171 | Y | A | 0.0000 | |
| 172 | D | A | -1.9756 | |
| 173 | A | A | 0.0000 | |
| 174 | C | A | 0.0000 | |
| 175 | M | A | 0.0000 | |
| 176 | H | A | -1.5821 | |
| 177 | T | A | 0.0000 | |
| 178 | F | A | 0.0000 | |
| 179 | D | A | -0.8073 | |
| 180 | C | A | 0.0000 | |
| 181 | L | A | 0.0000 | |
| 182 | P | A | 0.0000 | |
| 183 | L | A | 0.0000 | |
| 184 | A | A | 0.0000 | |
| 185 | A | A | 0.0000 | |
| 186 | L | A | -1.3047 | |
| 187 | L | A | 0.0000 | |
| 188 | N | A | -2.4016 | |
| 189 | Q | A | -2.1828 | |
| 190 | Q | A | -1.1878 | |
| 191 | F | A | 0.0000 | |
| 192 | L | A | 0.0000 | |
| 193 | C | A | 0.0000 | |
| 194 | V | A | 0.0000 | |
| 195 | H | A | 0.0000 | |
| 196 | G | A | 0.0000 | |
| 197 | G | A | 0.0000 | |
| 198 | M | A | 0.0000 | |
| 199 | S | A | 0.0000 | |
| 200 | P | A | -0.9753 | |
| 201 | E | A | -1.9897 | |
| 202 | I | A | 0.0000 | |
| 203 | T | A | -1.2092 | |
| 204 | C | A | -1.1302 | |
| 205 | L | A | -1.4667 | |
| 206 | E | A | -2.8420 | |
| 207 | D | A | -2.6258 | |
| 208 | I | A | 0.0000 | |
| 209 | R | A | -3.9029 | |
| 210 | K | A | -3.6870 | |
| 211 | L | A | -2.4275 | |
| 212 | D | A | -2.1546 | |
| 213 | R | A | 0.0000 | |
| 214 | F | A | -0.2568 | |
| 215 | S | A | -0.5536 | |
| 216 | E | A | -0.7079 | |
| 217 | P | A | -0.3206 | |
| 218 | P | A | 0.1712 | |
| 219 | A | A | 0.3935 | |
| 220 | F | A | 1.5236 | |
| 221 | G | A | 0.2728 | |
| 222 | P | A | -0.3570 | |
| 223 | V | A | 0.0000 | |
| 224 | C | A | 0.0000 | |
| 225 | D | A | 0.0000 | |
| 226 | L | A | 0.0000 | |
| 227 | L | A | 0.0000 | |
| 228 | W | A | 0.0000 | |
| 229 | S | A | 0.0000 | |
| 230 | D | A | 0.0000 | |
| 231 | P | A | 0.0000 | |
| 232 | L | A | -0.9845 | |
| 233 | E | A | -2.3272 | |
| 234 | D | A | -2.4537 | |
| 235 | Y | A | -1.5304 | |
| 236 | G | A | -1.5618 | |
| 237 | S | A | -1.5676 | |
| 238 | E | A | -1.8276 | |
| 239 | K | A | -2.0264 | |
| 240 | T | A | -0.8872 | |
| 241 | L | A | 0.1582 | |
| 242 | E | A | -1.4259 | |
| 243 | H | A | -0.8419 | |
| 244 | Y | A | -0.3511 | |
| 245 | T | A | -0.6126 | |
| 246 | H | A | -0.6912 | |
| 247 | N | A | 0.0000 | |
| 248 | T | A | -0.4302 | |
| 249 | V | A | -0.4168 | |
| 250 | R | A | 0.0000 | |
| 251 | G | A | -0.7207 | |
| 252 | C | A | 0.0000 | |
| 253 | S | A | 0.0000 | |
| 254 | Y | A | 0.1919 | |
| 255 | F | A | -0.2339 | |
| 256 | F | A | 0.0000 | |
| 257 | S | A | 0.0000 | |
| 258 | Y | A | 0.0000 | |
| 259 | P | A | -0.5499 | |
| 260 | A | A | 0.0000 | |
| 261 | V | A | 0.0000 | |
| 262 | C | A | -1.6033 | |
| 263 | E | A | -2.5088 | |
| 264 | F | A | 0.0000 | |
| 265 | L | A | 0.0000 | |
| 266 | Q | A | -2.4549 | |
| 267 | N | A | -2.3785 | |
| 268 | N | A | -1.6817 | |
| 269 | S | A | -1.4271 | |
| 270 | L | A | 0.0000 | |
| 271 | L | A | -0.2072 | |
| 272 | S | A | 0.0000 | |
| 273 | I | A | 0.0000 | |
| 274 | I | A | 0.0000 | |
| 275 | R | A | 0.0000 | |
| 276 | A | A | 0.0000 | |
| 277 | H | A | 0.0000 | |
| 278 | E | A | -0.3417 | |
| 279 | A | A | -0.6338 | |
| 280 | Q | A | 0.0000 | |
| 281 | D | A | -2.1434 | |
| 282 | A | A | -1.3469 | |
| 283 | G | A | 0.0000 | |
| 284 | Y | A | -0.4954 | |
| 285 | R | A | -0.6693 | |
| 286 | M | A | -0.2785 | |
| 287 | Y | A | -0.8204 | |
| 288 | R | A | -2.2576 | |
| 289 | K | A | -2.6044 | |
| 290 | N | A | -1.9201 | |
| 291 | Q | A | -1.9423 | |
| 292 | A | A | -0.9743 | |
| 293 | T | A | -0.7239 | |
| 294 | G | A | -1.3024 | |
| 295 | F | A | -0.7377 | |
| 296 | P | A | 0.0000 | |
| 297 | S | A | 0.0000 | |
| 298 | L | A | 0.0000 | |
| 299 | I | A | 0.0000 | |
| 300 | T | A | 0.0000 | |
| 301 | I | A | 0.0000 | |
| 302 | F | A | 0.0000 | |
| 303 | S | A | 0.0000 | |
| 304 | A | A | 0.0000 | |
| 305 | P | A | 0.0000 | |
| 306 | N | A | -1.6922 | |
| 307 | Y | A | 0.0000 | |
| 308 | L | A | -0.4672 | |
| 309 | D | A | -1.5908 | |
| 310 | V | A | -1.0261 | |
| 311 | Y | A | 0.0000 | |
| 312 | N | A | -2.2809 | |
| 313 | N | A | 0.0000 | |
| 314 | K | A | -2.0896 | |
| 315 | A | A | 0.0000 | |
| 316 | A | A | 0.0000 | |
| 317 | V | A | 0.0000 | |
| 318 | L | A | 0.0000 | |
| 319 | K | A | -0.9312 | |
| 320 | Y | A | 0.0000 | |
| 321 | E | A | -2.4609 | |
| 322 | N | A | -2.0589 | |
| 323 | N | A | -1.6375 | |
| 324 | V | A | 0.0842 | |
| 325 | M | A | -0.3101 | |
| 326 | N | A | -0.9231 | |
| 327 | I | A | -0.8588 | |
| 328 | R | A | -1.8286 | |
| 329 | Q | A | -1.8529 | |
| 330 | F | A | 0.0000 | |
| 331 | N | A | -1.9860 | |
| 332 | C | A | -1.2893 | |
| 333 | S | A | -0.5614 | |
| 334 | P | A | -0.3172 | |
| 335 | H | A | -0.0936 | |
| 336 | P | A | 0.4940 | |
| 337 | Y | A | 1.2987 | |
| 338 | W | A | 0.7249 | |
| 339 | L | A | 0.0000 | |
| 340 | P | A | -0.3357 | |
| 341 | N | A | -0.9890 | |
| 342 | F | A | 0.0000 | |
| 343 | M | A | 0.2391 | |
| 344 | D | A | 0.1424 | |
| 345 | V | A | 2.4534 | |
| 346 | F | A | 3.1460 | |
| 347 | T | A | 1.8685 | |
| 348 | W | A | 2.1997 | |
| 349 | S | A | 2.5111 | |
| 350 | L | A | 2.7330 | |
| 351 | P | A | 1.6856 | |
| 352 | F | A | 2.1670 | |
| 353 | V | A | 1.8252 | |
| 354 | G | A | 1.0903 | |
| 355 | E | A | 0.4405 | |
| 356 | K | A | -0.5789 | |
| 357 | V | A | 0.6673 | |
| 358 | T | A | 0.0000 | |
| 359 | E | A | -1.5477 | |
| 360 | M | A | 0.0851 | |
| 361 | L | A | 0.5153 | |
| 362 | V | A | -0.0479 | |
| 363 | N | A | 0.1213 | |
| 364 | I | A | 1.7785 | |
| 365 | L | A | 0.2886 | |
| 366 | N | A | -0.2714 | |
| 367 | I | A | 0.9670 | |
| 368 | C | A | 0.0425 | |
| 369 | S | A | -1.3649 | |
| 370 | D | A | -2.2490 | |
| 371 | E | A | -2.2944 | |
| 372 | E | A | -1.5563 | |
| 373 | M | A | -1.3183 | |
| 374 | N | A | -1.5877 | |
| 375 | V | A | -0.1293 | |
| 376 | T | A | -1.0618 | |
| 377 | D | A | -2.9896 | |
| 378 | E | A | -3.4471 | |
| 379 | E | A | -3.4444 | |
| 380 | G | A | -2.3365 | |
| 381 | A | A | -1.9279 | |
| 382 | T | A | -2.3433 | |
| 383 | T | A | -2.0773 | |
| 384 | G | A | -2.0838 | |
| 385 | R | A | -2.7165 | |
| 386 | K | A | -2.7898 | |
| 387 | E | A | -3.0329 | |
| 388 | V | A | -1.3502 | |
| 389 | I | A | -2.1378 | |
| 390 | K | A | -3.4864 | |
| 391 | N | A | -3.0706 | |
| 392 | K | A | -2.6990 | |
| 393 | I | A | -2.1039 | |
| 394 | R | A | -3.0596 | |
| 395 | A | A | -2.2075 | |
| 396 | I | A | 0.0000 | |
| 397 | G | A | -1.9814 | |
| 398 | K | A | -2.2879 | |
| 399 | M | A | -0.5984 | |
| 400 | A | A | -0.8962 | |
| 401 | R | A | -1.0955 | |
| 402 | V | A | 1.3045 | |
| 403 | F | A | 1.1499 | |
| 404 | T | A | 0.3398 | |
| 405 | V | A | 1.0456 | |
| 406 | L | A | 1.0291 | |
| 407 | R | A | 0.0532 | |
| 408 | E | A | -1.7731 | |
| 409 | E | A | -1.8178 | |
| 410 | S | A | -0.8242 | |
| 411 | E | A | -1.7664 | |
| 412 | N | A | -1.9652 | |
| 413 | V | A | -0.9485 | |
| 414 | L | A | -0.5998 | |
| 415 | T | A | -0.4445 | |
| 416 | L | A | 0.0000 | |
| 417 | K | A | -0.6600 | |
| 418 | G | A | -0.5781 | |
| 419 | L | A | -0.4417 | |
| 420 | T | A | -0.1732 | |
| 421 | P | A | -0.2086 | |
| 422 | T | A | -0.3059 | |
| 423 | G | A | -0.3964 | |
| 424 | T | A | 0.0526 | |
| 425 | L | A | 0.6909 | |
| 426 | P | A | 0.8043 | |
| 427 | L | A | 1.6125 | |
| 428 | G | A | 0.7138 | |
| 429 | V | A | 0.0000 | |
| 430 | L | A | 0.9501 | |
| 431 | S | A | 0.1925 | |
| 432 | G | A | -0.7604 | |
| 433 | G | A | -1.3570 | |
| 434 | K | A | -2.5678 | |
| 435 | Q | A | -2.2449 | |
| 436 | T | A | -1.6634 | |
| 437 | I | A | 0.0000 | |
| 438 | E | A | -2.3738 | |
| 439 | T | A | -2.1767 | |
| 440 | A | A | -1.9263 | |
| 441 | K | A | -2.2491 | |
| 442 | Q | A | -3.2696 | |
| 443 | E | A | -3.8678 | |
| 444 | A | A | -2.8077 | |
| 445 | A | A | -2.4316 | |
| 446 | E | A | -4.0821 | |
| 447 | E | A | -3.9222 | |
| 448 | R | A | -2.8176 | |
| 449 | E | A | -2.7315 | |
| 450 | A | A | -2.1683 | |
| 451 | I | A | -1.6298 | |
| 452 | R | A | -2.4564 | |
| 453 | G | A | -1.8792 | |
| 454 | F | A | -0.3995 | |
| 455 | T | A | 0.3809 | |
| 456 | I | A | 1.7053 | |
| 457 | A | A | 0.4955 | |
| 458 | H | A | -0.7141 | |
| 459 | R | A | -1.9292 | |
| 460 | I | A | -1.6996 | |
| 461 | R | A | -2.6207 | |
| 462 | S | A | -2.0897 | |
| 463 | F | A | 0.0000 | |
| 464 | E | A | -2.4757 | |
| 465 | E | A | 0.0000 | |
| 466 | A | A | 0.0000 | |
| 467 | R | A | -1.6323 | |
| 468 | G | A | -1.3353 | |
| 469 | L | A | -1.0205 | |
| 470 | D | A | 0.0000 | |
| 471 | R | A | -1.1455 | |
| 472 | I | A | -0.2604 | |
| 473 | N | A | -0.6880 | |
| 474 | E | A | -1.1417 | |
| 475 | R | A | -1.4203 | |
| 476 | M | A | -0.8226 | |
| 477 | P | A | 0.0000 | |
| 478 | P | A | -2.0122 | |
| 479 | R | A | -3.2712 | |
| 480 | K | A | -3.5525 | |
| 481 | E | A | -3.0379 | |
| 482 | A | A | -1.4597 | |
| 483 | S | A | -0.8725 | |
| 484 | Y | A | -0.1457 | |
| 485 | H | A | -1.4496 | |
| 486 | H | A | -2.0373 | |
| 487 | D | A | -2.7025 | |
| 488 | A | A | -1.7917 | |
| 489 | G | A | -1.7940 | |
| 490 | R | A | -2.1906 | |
| 491 | M | A | -0.8284 | |
| 492 | H | A | -1.4836 | |
| 493 | S | A | -1.3364 | |
| 494 | H | A | -1.6176 | |
| 495 | S | A | -1.4472 | |
| 496 | H | A | -1.6923 | |
| 497 | P | A | -1.2655 | |
| 498 | P | A | -1.3183 | |
| 499 | H | A | -1.7101 | |
| 500 | P | A | -1.4084 | |
| 501 | Q | A | -1.8272 | |
| 502 | A | A | -1.5363 | |
| 503 | S | A | -1.8769 | |
| 504 | R | A | -3.1785 | |
| 505 | R | A | -3.2209 | |
| 506 | T | A | -2.5876 | |
| 507 | D | A | -3.0180 | |
| 508 | H | A | -2.6699 | |
| 509 | G | A | -2.5783 | |
| 510 | K | A | -2.8076 | |
| 511 | K | A | -2.3359 | |
| 512 | A | A | -0.4993 | |
| 513 | L | A | 0.9695 |
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 | -0.6892 | 6.4651 | View | CSV | PDB |
| 4.5 | -0.7595 | 6.352 | View | CSV | PDB |
| 5.0 | -0.8495 | 6.2358 | View | CSV | PDB |
| 5.5 | -0.9394 | 6.1187 | View | CSV | PDB |
| 6.0 | -1.0089 | 6.0015 | View | CSV | PDB |
| 6.5 | -1.0448 | 5.8852 | View | CSV | PDB |
| 7.0 | -1.0463 | 5.7717 | View | CSV | PDB |
| 7.5 | -1.0244 | 5.6663 | View | CSV | PDB |
| 8.0 | -0.9908 | 5.58 | View | CSV | PDB |
| 8.5 | -0.9507 | 5.5244 | View | CSV | PDB |
| 9.0 | -0.9052 | 5.4979 | 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