| Chain sequence(s) |
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
input PDB |
| Selected Chain(s) | A |
| Distance of aggregation | 10 Å |
| FoldX usage | Yes |
| pH calculations | Yes |
| alphaCutter usage | No |
| Dynamic mode | No |
| Automated mutations | No |
| Downloads | Download all the data |
| Simulation log |
[INFO] Logger: Verbosity set to: 2 - [INFO] (00:00:00)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:00)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with A chain(s) selected (00:00:00)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:00)
[INFO] PDB-Info: The input structure is partially or entirely disordered. Average 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 (00:05:48)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/4b753bf03de5d4e/tmp/folded.pdb (00:05:48)
[INFO] Main: Simulation completed successfully. (00:08:05)
|
The table below lists A4D score for protein residues. Residues with A4D score > 0.0000 are marked by yellow rows.
| residue index | residue name | chain | Aggrescan4D score | mutation |
|---|---|---|---|---|
| 1 | M | A | 0.1036 | |
| 2 | N | A | -1.1069 | |
| 3 | Q | A | -1.1308 | |
| 4 | Y | A | -0.1575 | |
| 5 | G | A | -1.2623 | |
| 6 | R | A | -3.1683 | |
| 7 | E | A | -3.9885 | |
| 8 | Q | A | -3.5530 | |
| 9 | Q | A | -3.3523 | |
| 10 | D | A | -3.0027 | |
| 11 | T | A | -1.2349 | |
| 12 | G | A | 0.2425 | |
| 13 | L | A | 2.0504 | |
| 14 | V | A | 2.0764 | |
| 15 | G | A | 0.4453 | |
| 16 | S | A | -0.3192 | |
| 17 | G | A | -0.7709 | |
| 18 | T | A | -1.1393 | |
| 19 | G | A | -2.0681 | |
| 20 | H | A | -3.0656 | |
| 21 | R | A | -3.9365 | |
| 22 | D | A | -2.8700 | |
| 23 | E | A | -2.1474 | |
| 24 | Y | A | -0.4484 | |
| 25 | G | A | -1.8462 | |
| 26 | N | A | -2.9565 | |
| 27 | P | A | -3.5004 | |
| 28 | R | A | -4.0288 | |
| 29 | Q | A | -2.9877 | |
| 30 | E | A | -3.0151 | |
| 31 | G | A | -1.9176 | |
| 32 | I | A | -1.1387 | |
| 33 | M | A | -1.7206 | |
| 34 | D | A | -3.1390 | |
| 35 | K | A | -2.8312 | |
| 36 | V | A | -1.7739 | |
| 37 | K | A | -2.4852 | |
| 38 | N | A | -2.3092 | |
| 39 | A | A | -0.6828 | |
| 40 | V | A | 0.7646 | |
| 41 | G | A | 0.0219 | |
| 42 | M | A | 0.6221 | |
| 43 | G | A | 0.0830 | |
| 44 | P | A | -0.1462 | |
| 45 | S | A | -0.5855 | |
| 46 | S | A | -0.2857 | |
| 47 | G | A | -0.5022 | |
| 48 | T | A | -0.7108 | |
| 49 | G | A | -0.4892 | |
| 50 | Y | A | 0.0134 | |
| 51 | N | A | -1.9822 | |
| 52 | N | A | -1.9205 | |
| 53 | Q | A | -1.6669 | |
| 54 | P | A | -1.4039 | |
| 55 | G | A | -1.3425 | |
| 56 | Y | A | -0.1777 | |
| 57 | D | A | -1.6151 | |
| 58 | N | A | -1.7538 | |
| 59 | Y | A | -0.2307 | |
| 60 | G | A | -1.3204 | |
| 61 | N | A | -2.3201 | |
| 62 | P | A | -2.4053 | |
| 63 | R | A | -3.3812 | |
| 64 | Q | A | -2.8363 | |
| 65 | E | A | -2.7741 | |
| 66 | G | A | -1.8031 | |
| 67 | L | A | -0.5946 | |
| 68 | V | A | -0.9833 | |
| 69 | D | A | -2.9790 | |
| 70 | K | A | -2.7846 | |
| 71 | A | A | -1.7696 | |
| 72 | K | A | -2.6840 | |
| 73 | D | A | -2.7964 | |
| 74 | A | A | -1.0058 | |
| 75 | V | A | 0.5088 | |
| 76 | G | A | -0.1930 | |
| 77 | M | A | 0.5107 | |
| 78 | G | A | 0.3857 | |
| 79 | P | A | 0.1917 | |
| 80 | S | A | 0.3438 | |
| 81 | L | A | 1.0555 | |
| 82 | G | A | 0.2041 | |
| 83 | T | A | -0.3594 | |
| 84 | G | A | -0.1298 | |
| 85 | Y | A | 0.1638 | |
| 86 | N | A | -1.6351 | |
| 87 | N | A | -2.2395 | |
| 88 | Q | A | -1.2488 | |
| 89 | P | A | -1.2725 | |
| 90 | G | A | -0.4933 | |
| 91 | Y | A | -0.0118 | |
| 92 | D | A | -1.3793 | |
| 93 | S | A | -0.4103 | |
| 94 | Y | A | 0.1543 | |
| 95 | G | A | -1.3182 | |
| 96 | N | A | -2.5527 | |
| 97 | R | A | -2.9158 | |
| 98 | E | A | -3.1342 | |
| 99 | G | A | -2.0341 | |
| 100 | I | A | -1.1699 | |
| 101 | V | A | -1.0225 | |
| 102 | D | A | -2.9895 | |
| 103 | R | A | -2.7486 | |
| 104 | A | A | -1.6939 | |
| 105 | K | A | -2.6064 | |
| 106 | D | A | -2.7145 | |
| 107 | A | A | -1.0345 | |
| 108 | V | A | 0.4902 | |
| 109 | G | A | -0.2531 | |
| 110 | M | A | 0.2774 | |
| 111 | G | A | -0.2652 | |
| 112 | P | A | -0.7617 | |
| 113 | N | A | -1.6936 | |
| 114 | S | A | -1.2086 | |
| 115 | G | A | -0.9077 | |
| 116 | T | A | -1.1264 | |
| 117 | G | A | -0.7836 | |
| 118 | Y | A | 0.0269 | |
| 119 | N | A | -1.8784 | |
| 120 | N | A | -2.0795 | |
| 121 | Q | A | -1.2315 | |
| 122 | P | A | -1.1881 | |
| 123 | G | A | -1.3069 | |
| 124 | Y | A | -0.2150 | |
| 125 | D | A | -1.7437 | |
| 126 | N | A | -2.1819 | |
| 127 | Y | A | -0.3875 | |
| 128 | G | A | -1.7624 | |
| 129 | D | A | -3.2087 | |
| 130 | R | A | -4.0001 | |
| 131 | R | A | -4.1366 | |
| 132 | H | A | -3.2714 | |
| 133 | E | A | -2.9737 | |
| 134 | G | A | -1.8516 | |
| 135 | L | A | -0.8416 | |
| 136 | A | A | -1.7804 | |
| 137 | D | A | -3.4493 | |
| 138 | R | A | -3.1111 | |
| 139 | A | A | -2.1003 | |
| 140 | K | A | -3.0651 | |
| 141 | D | A | -2.9145 | |
| 142 | A | A | -0.8880 | |
| 143 | V | A | 0.5004 | |
| 144 | G | A | -0.0786 | |
| 145 | M | A | 0.5476 | |
| 146 | G | A | -0.2579 | |
| 147 | P | A | -0.7762 | |
| 148 | N | A | -1.4478 | |
| 149 | S | A | -0.9894 | |
| 150 | G | A | -0.7389 | |
| 151 | Y | A | -0.2414 | |
| 152 | N | A | -1.9093 | |
| 153 | H | A | -2.4045 | |
| 154 | Q | A | -2.1121 | |
| 155 | P | A | -1.9139 | |
| 156 | G | A | -1.1954 | |
| 157 | Y | A | -0.1832 | |
| 158 | D | A | -1.8300 | |
| 159 | N | A | -1.4635 | |
| 160 | Y | A | -0.4082 | |
| 161 | G | A | -1.6141 | |
| 162 | N | A | -2.5791 | |
| 163 | R | A | -2.7649 | |
| 164 | E | A | -2.7217 | |
| 165 | G | A | -1.5986 | |
| 166 | V | A | -0.1462 | |
| 167 | V | A | -0.0929 | |
| 168 | D | A | -2.5589 | |
| 169 | K | A | -2.6213 | |
| 170 | A | A | -1.6900 | |
| 171 | K | A | -2.6588 | |
| 172 | D | A | -2.8060 | |
| 173 | A | A | -1.0136 | |
| 174 | V | A | 0.5153 | |
| 175 | G | A | -0.0871 | |
| 176 | M | A | 0.5996 | |
| 177 | G | A | -0.2486 | |
| 178 | P | A | -0.6906 | |
| 179 | N | A | -1.6926 | |
| 180 | S | A | -1.1321 | |
| 181 | G | A | -0.8480 | |
| 182 | T | A | -1.1154 | |
| 183 | G | A | -1.0590 | |
| 184 | Y | A | -0.2710 | |
| 185 | N | A | -2.0450 | |
| 186 | N | A | -2.8207 | |
| 187 | Q | A | -2.0150 | |
| 188 | P | A | -1.7958 | |
| 189 | G | A | -1.2766 | |
| 190 | Y | A | 0.0634 | |
| 191 | D | A | -1.1157 | |
| 192 | S | A | -0.8091 | |
| 193 | Y | A | 0.4285 | |
| 194 | G | A | -0.7882 | |
| 195 | T | A | -1.5402 | |
| 196 | R | A | -3.3352 | |
| 197 | R | A | -3.8085 | |
| 198 | Q | A | -2.9725 | |
| 199 | E | A | -2.8071 | |
| 200 | G | A | -1.5650 | |
| 201 | L | A | -0.0268 | |
| 202 | V | A | -0.0246 | |
| 203 | D | A | -2.3894 | |
| 204 | R | A | -2.0479 | |
| 205 | A | A | -1.4482 | |
| 206 | K | A | -2.3726 | |
| 207 | D | A | -2.5184 | |
| 208 | A | A | -0.7941 | |
| 209 | V | A | 0.4784 | |
| 210 | G | A | -0.1847 | |
| 211 | M | A | 0.3849 | |
| 212 | G | A | -0.1972 | |
| 213 | P | A | -0.7638 | |
| 214 | N | A | -1.6952 | |
| 215 | S | A | -1.1394 | |
| 216 | G | A | -0.8677 | |
| 217 | T | A | -1.1155 | |
| 218 | G | A | -1.1320 | |
| 219 | Y | A | -0.2948 | |
| 220 | N | A | -2.0763 | |
| 221 | N | A | -2.9130 | |
| 222 | Q | A | -1.8670 | |
| 223 | P | A | -1.7769 | |
| 224 | G | A | -1.6214 | |
| 225 | Y | A | -0.2303 | |
| 226 | D | A | -1.8912 | |
| 227 | N | A | -1.6328 | |
| 228 | Y | A | -0.1479 | |
| 229 | G | A | -1.2633 | |
| 230 | N | A | -2.3588 | |
| 231 | P | A | -2.4698 | |
| 232 | R | A | -3.5685 | |
| 233 | R | A | -3.3832 | |
| 234 | E | A | -2.7756 | |
| 235 | G | A | -1.3964 | |
| 236 | V | A | 0.3683 | |
| 237 | V | A | 0.2550 | |
| 238 | D | A | -2.3964 | |
| 239 | R | A | -2.8063 | |
| 240 | A | A | -1.4291 | |
| 241 | K | A | -2.6596 | |
| 242 | D | A | -2.8255 | |
| 243 | A | A | -0.7748 | |
| 244 | V | A | 0.6488 | |
| 245 | G | A | -0.0576 | |
| 246 | M | A | 0.5878 | |
| 247 | G | A | -0.3368 | |
| 248 | P | A | -0.6106 | |
| 249 | N | A | -1.4157 | |
| 250 | S | A | -1.1878 | |
| 251 | G | A | -1.0324 | |
| 252 | Y | A | -0.8057 | |
| 253 | N | A | -1.8068 | |
| 254 | N | A | -2.7361 | |
| 255 | Q | A | -2.2872 | |
| 256 | P | A | -2.1255 | |
| 257 | G | A | -1.6221 | |
| 258 | Y | A | -1.2046 | |
| 259 | D | A | -2.4518 | |
| 260 | N | A | -1.6350 | |
| 261 | Y | A | -0.4665 | |
| 262 | G | A | -1.5433 | |
| 263 | N | A | -2.4781 | |
| 264 | R | A | -2.9122 | |
| 265 | E | A | -2.9643 | |
| 266 | G | A | -2.2062 | |
| 267 | I | A | -1.4389 | |
| 268 | V | A | -1.0108 | |
| 269 | D | A | -3.0114 | |
| 270 | K | A | -2.7395 | |
| 271 | A | A | -1.7518 | |
| 272 | K | A | -2.5278 | |
| 273 | D | A | -2.4403 | |
| 274 | A | A | -0.7848 | |
| 275 | V | A | 0.5947 | |
| 276 | G | A | 0.1603 | |
| 277 | V | A | 1.1982 | |
| 278 | G | A | 0.2458 | |
| 279 | P | A | -0.3745 | |
| 280 | H | A | -1.2611 | |
| 281 | S | A | -1.0106 | |
| 282 | G | A | -0.8669 | |
| 283 | T | A | -1.0730 | |
| 284 | G | A | -1.1903 | |
| 285 | Y | A | -1.2284 | |
| 286 | H | A | -1.8299 | |
| 287 | N | A | -2.1901 | |
| 288 | Q | A | -1.2283 | |
| 289 | P | A | -1.2727 | |
| 290 | S | A | -0.9417 | |
| 291 | Y | A | 0.3589 | |
| 292 | D | A | -0.9615 | |
| 293 | N | A | -1.0079 | |
| 294 | Y | A | 0.1162 | |
| 295 | G | A | -1.1247 | |
| 296 | N | A | -2.0970 | |
| 297 | P | A | -2.3261 | |
| 298 | R | A | -3.4532 | |
| 299 | Q | A | -3.0291 | |
| 300 | E | A | -3.1310 | |
| 301 | G | A | -2.1057 | |
| 302 | I | A | -1.4701 | |
| 303 | V | A | -1.4791 | |
| 304 | D | A | -3.3726 | |
| 305 | R | A | -3.3297 | |
| 306 | A | A | -2.0407 | |
| 307 | K | A | -2.8246 | |
| 308 | D | A | -2.8878 | |
| 309 | A | A | -1.2178 | |
| 310 | V | A | 0.2127 | |
| 311 | G | A | -0.3218 | |
| 312 | M | A | 0.3317 | |
| 313 | G | A | -0.1656 | |
| 314 | P | A | -0.6994 | |
| 315 | N | A | -1.3422 | |
| 316 | S | A | -1.0986 | |
| 317 | G | A | -1.2806 | |
| 318 | T | A | -1.3065 | |
| 319 | G | A | -1.1093 | |
| 320 | Y | A | -1.4553 | |
| 321 | N | A | -2.3827 | |
| 322 | N | A | -2.5624 | |
| 323 | Q | A | -1.9007 | |
| 324 | S | A | -2.0591 | |
| 325 | D | A | -2.9277 | |
| 326 | Y | A | -1.7164 | |
| 327 | D | A | -2.1094 | |
| 328 | S | A | -1.5063 | |
| 329 | Y | A | -0.7721 | |
| 330 | G | A | -1.4716 | |
| 331 | N | A | -2.3393 | |
| 332 | P | A | -2.3380 | |
| 333 | R | A | -3.3653 | |
| 334 | H | A | -2.7739 | |
| 335 | E | A | -2.8216 | |
| 336 | G | A | -1.8816 | |
| 337 | M | A | -1.0916 | |
| 338 | L | A | -0.6131 | |
| 339 | D | A | -2.6149 | |
| 340 | K | A | -2.0156 | |
| 341 | A | A | -1.7340 | |
| 342 | K | A | -2.7420 | |
| 343 | D | A | -3.0387 | |
| 344 | D | A | -1.7867 | |
| 345 | F | A | -0.2950 | |
| 346 | D | A | -1.6076 | |
| 347 | M | A | -0.5355 | |
| 348 | G | A | -0.5422 | |
| 349 | P | A | -0.6372 | |
| 350 | N | A | -1.2258 | |
| 351 | S | A | -1.0226 | |
| 352 | G | A | -1.1470 | |
| 353 | T | A | -1.2064 | |
| 354 | G | A | -1.0031 | |
| 355 | Y | A | -0.8335 | |
| 356 | N | A | -1.8551 | |
| 357 | N | A | -1.9155 | |
| 358 | R | A | -1.4727 | |
| 359 | P | A | -1.0635 | |
| 360 | G | A | -0.9859 | |
| 361 | Y | A | -0.2254 | |
| 362 | D | A | -2.1598 | |
| 363 | T | A | -0.7369 | |
| 364 | Y | A | 0.1345 | |
| 365 | G | A | -1.5891 | |
| 366 | D | A | -3.5611 | |
| 367 | R | A | -4.1816 | |
| 368 | K | A | -4.3982 | |
| 369 | H | A | -3.6002 | |
| 370 | E | A | -3.1736 | |
| 371 | G | A | -1.8926 | |
| 372 | I | A | -0.8674 | |
| 373 | G | A | -1.8274 | |
| 374 | D | A | -3.0683 | |
| 375 | K | A | -2.1499 | |
| 376 | V | A | -1.4109 | |
| 377 | R | A | -2.6148 | |
| 378 | D | A | -2.7067 | |
| 379 | A | A | -1.2582 | |
| 380 | I | A | 0.3303 | |
| 381 | G | A | -0.7082 | |
| 382 | T | A | -0.9589 | |
| 383 | G | A | -0.7197 | |
| 384 | P | A | -0.7796 | |
| 385 | N | A | -1.3143 | |
| 386 | S | A | -0.7310 | |
| 387 | G | A | -0.9114 | |
| 388 | Y | A | -0.3345 | |
| 389 | D | A | -1.9594 | |
| 390 | S | A | -1.6736 | |
| 391 | R | A | -2.3813 | |
| 392 | T | A | -1.4920 | |
| 393 | P | A | -0.9188 | |
| 394 | T | A | -0.8903 | |
| 395 | G | A | -1.0682 | |
| 396 | T | A | -1.0516 | |
| 397 | D | A | -1.3373 | |
| 398 | A | A | 0.1029 | |
| 399 | Y | A | 1.3933 | |
| 400 | V | A | 1.4768 | |
| 401 | H | A | -0.3664 | |
| 402 | G | A | -1.2240 | |
| 403 | N | A | -2.0932 | |
| 404 | H | A | -2.0681 | |
| 405 | P | A | -1.2887 | |
| 406 | P | A | -0.9185 | |
| 407 | G | A | -0.5078 | |
| 408 | M | A | -0.4599 | |
| 409 | Q | A | -2.0883 | |
| 410 | D | A | -2.5964 | |
| 411 | R | A | -1.9503 | |
| 412 | I | A | 0.7443 | |
| 413 | T | A | 0.2395 | |
| 414 | G | A | 0.3155 | |
| 415 | V | A | 0.6426 | |
| 416 | N | A | -1.5090 | |
| 417 | E | A | -2.0626 | |
| 418 | P | A | -1.0493 | |
| 419 | S | A | 0.3611 | |
| 420 | I | A | 2.3008 | |
| 421 | L | A | 2.1288 | |
| 422 | G | A | 0.1531 | |
| 423 | G | A | -1.6607 | |
| 424 | R | A | -3.2688 | |
| 425 | E | A | -3.2133 | |
| 426 | N | A | -2.3927 | |
| 427 | V | A | -0.8926 | |
| 428 | D | A | -2.3984 | |
| 429 | R | A | -2.8668 | |
| 430 | H | A | -1.9557 | |
| 431 | G | A | -0.5617 | |
| 432 | F | A | 0.8230 | |
| 433 | G | A | -0.7130 | |
| 434 | H | A | -1.7661 | |
| 435 | D | A | -3.0652 | |
| 436 | G | A | -2.8422 | |
| 437 | R | A | -3.3159 | |
| 438 | Q | A | -2.9559 | |
| 439 | H | A | -2.6386 | |
| 440 | H | A | -1.5938 | |
| 441 | G | A | -0.1686 | |
| 442 | L | A | 1.4459 | |
| 443 | L | A | 0.9334 | |
| 444 | D | A | -0.8751 | |
| 445 | N | A | -0.7063 | |
| 446 | V | A | 1.0230 | |
| 447 | T | A | 1.0675 | |
| 448 | L | A | 1.1541 | |
| 449 | Q | A | -0.6651 | |
| 450 | S | A | -1.0022 | |
| 451 | G | A | -0.9501 | |
| 452 | H | A | -0.3240 | |
| 453 | I | A | 0.8603 | |
| 454 | P | A | -0.3176 | |
| 455 | E | A | -1.2947 | |
| 456 | T | A | -0.0036 | |
| 457 | M | A | 1.3461 | |
| 458 | V | A | 1.7325 | |
| 459 | G | A | 0.0596 | |
| 460 | G | A | -1.3557 | |
| 461 | R | A | -2.5499 | |
| 462 | R | A | -2.3971 | |
| 463 | V | A | -0.5802 | |
| 464 | E | A | -1.6506 | |
| 465 | P | A | -1.0205 | |
| 466 | G | A | -0.6355 | |
| 467 | Y | A | 0.4144 | |
| 468 | D | A | -0.9422 | |
| 469 | M | A | 0.0261 | |
| 470 | T | A | -0.7332 | |
| 471 | K | A | -1.8143 | |
| 472 | S | A | -1.1166 | |
| 473 | A | A | -1.0114 | |
| 474 | G | A | -1.2186 | |
| 475 | H | A | -1.3543 | |
| 476 | H | A | -0.9633 | |
| 477 | L | A | 0.4076 | |
| 478 | T | A | -0.0637 | |
| 479 | D | A | -0.9958 | |
| 480 | L | A | 0.3782 | |
| 481 | G | A | -0.9683 | |
| 482 | H | A | -1.6352 | |
| 483 | H | A | -2.3193 | |
| 484 | G | A | -2.3709 | |
| 485 | N | A | -2.7127 | |
| 486 | D | A | -2.6714 | |
| 487 | S | A | -1.2771 | |
| 488 | G | A | -0.3599 | |
| 489 | V | A | 1.1829 | |
| 490 | T | A | 0.7546 | |
| 491 | G | A | 0.4772 | |
| 492 | L | A | 0.8773 | |
| 493 | G | A | -0.4711 | |
| 494 | H | A | -1.7393 | |
| 495 | H | A | -2.4776 | |
| 496 | D | A | -2.7726 | |
| 497 | T | A | -1.9791 | |
| 498 | D | A | -2.1446 | |
| 499 | Y | A | -1.4113 | |
| 500 | D | A | -2.8444 | |
| 501 | E | A | -3.9932 | |
| 502 | R | A | -4.0276 | |
| 503 | R | A | -3.9136 | |
| 504 | G | A | -3.1176 | |
| 505 | K | A | -2.3210 | |
| 506 | G | A | -1.3118 | |
| 507 | F | A | -0.0668 | |
| 508 | E | A | -1.8099 | |
| 509 | D | A | -2.1391 | |
| 510 | P | A | -1.0223 | |
| 511 | I | A | 0.0895 | |
| 512 | D | A | -2.0305 | |
| 513 | N | A | -2.6148 | |
| 514 | K | A | -2.8575 | |
| 515 | T | A | -1.1255 | |
| 516 | G | A | -0.2198 | |
| 517 | L | A | 1.0047 | |
| 518 | G | A | -0.1772 | |
| 519 | S | A | -0.9304 | |
| 520 | D | A | -1.7916 | |
| 521 | Y | A | -0.5241 | |
| 522 | D | A | -1.8706 | |
| 523 | T | A | -1.0652 | |
| 524 | T | A | -1.3385 | |
| 525 | E | A | -2.2548 | |
| 526 | T | A | -1.3722 | |
| 527 | G | A | -1.2499 | |
| 528 | S | A | -0.5951 | |
| 529 | G | A | -0.1523 | |
| 530 | Y | A | 0.8257 | |
| 531 | G | A | -0.1358 | |
| 532 | A | A | -0.4079 | |
| 533 | T | A | -1.0267 | |
| 534 | D | A | -2.0009 | |
| 535 | T | A | -1.2287 | |
| 536 | G | A | -0.8559 | |
| 537 | A | A | -0.2208 | |
| 538 | A | A | -0.5705 | |
| 539 | P | A | -1.2378 | |
| 540 | H | A | -2.4046 | |
| 541 | K | A | -2.9537 | |
| 542 | K | A | -2.5745 | |
| 543 | G | A | -0.3389 | |
| 544 | I | A | 2.1838 | |
| 545 | I | A | 2.5084 | |
| 546 | T | A | 1.0137 | |
| 547 | K | A | -0.7013 | |
| 548 | I | A | -0.2514 | |
| 549 | K | A | -2.3770 | |
| 550 | E | A | -2.8750 | |
| 551 | K | A | -2.4481 | |
| 552 | L | A | -0.4370 | |
| 553 | H | A | -1.4302 | |
| 554 | H | A | -1.3338 |
Calculations for various pH values
This page contains details and comparisons for all models calculated at different pH points.
Please find suggestions on interpreting the results below. More details can be found in the Tutorial.
The input structure is partially or entirely disordered. Average score is recommended for pH analysis.
pH |
Average A4D Score |
Max A4D Score |
|||
| 4.0 | -0.702 | 3.8058 | View | CSV | PDB |
| 4.5 | -0.8253 | 3.6402 | View | CSV | PDB |
| 5.0 | -0.9674 | 3.6487 | View | CSV | PDB |
| 5.5 | -1.106 | 3.6712 | View | CSV | PDB |
| 6.0 | -1.2208 | 3.7189 | View | CSV | PDB |
| 6.5 | -1.304 | 3.7939 | View | CSV | PDB |
| 7.0 | -1.3642 | 3.8861 | View | CSV | PDB |
| 7.5 | -1.4141 | 3.9857 | View | CSV | PDB |
| 8.0 | -1.4563 | 4.0877 | View | CSV | PDB |
| 8.5 | -1.4846 | 4.1902 | View | CSV | PDB |
| 9.0 | -1.4895 | 4.2914 | 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