| Chain sequence(s) |
A: QGLQGPRGLPGTPGTDGPKGASGPAGPPGAQGPPGLQGMPGERGAAGIAGPKGDRGDVGEKGPEGAPGKDGGRGLTGPIGPPGPAGANGEKGEVGPPGPAGSAGARGAPGERGETGPPGPAGFAGPPGADGQPGAKGEQGEAGQKGDAGAPGPQGPSGAPGPQGPTGVTGPKGARGAQGPPGATGFPGAAGRVGPPGSNGNPGPPGPPGPSGKDGPKGARGDSGPPGRAGEPGLQGPAGPPGEKGEPGDDGPSGAEGPPGPQGLAGQRGIVGLPGQRGERGFPGLPGPSGEPGKQGAPGASGDRGPPGPVGPPGLTGPAGEPGREGSPGADGPPGRDGAAGVKGDRGETGAVGAPGAPGPPGSPGPAGPTGKQGDRGEAGAQGPMGPSGPAGARGIQGPQGPRGDKGEAGEPGERGLKGHRGFTGLQGLPGPPGPSGDQGASGPAGPSGPRGPPGPVGPSGKDGANGIPGPIGPPGPRGRSGETGPAGPPGNPGPPGPPGPPGPGIDMSAFAGLGPREKGPDPLQYMRAGGGGSGGGGSEVVRKIVPTTTKRPHSGPRSNPGAGRLNNETRPSVQEDSQAFNPDNPYHQQEGESMTFDPRLDHEGICCIECRRSYTHCQKICEPLGGYYPWPYNYQGCRSACRVIMPCSWWVARILGMV
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] (00:00:02)
[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 partially or entirely disordered. Average score is
recommended for pH analysis. (00:00:08)
[INFO] FoldX: Starting FoldX energy minimization (00:00:08)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:06:01)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/c48c3f969b0c755/tmp/folded.pdb (00:06:01)
[INFO] Main: Simulation completed successfully. (00:12:52)
|
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 | Q | A | -1.2048 | |
| 2 | G | A | -0.6547 | |
| 3 | L | A | 0.3113 | |
| 4 | Q | A | -1.2364 | |
| 5 | G | A | -1.2945 | |
| 6 | P | A | -1.3653 | |
| 7 | R | A | -2.1225 | |
| 8 | G | A | -0.8672 | |
| 9 | L | A | 0.5793 | |
| 10 | P | A | -0.1372 | |
| 11 | G | A | -0.4200 | |
| 12 | T | A | -0.4034 | |
| 13 | P | A | -0.9318 | |
| 14 | G | A | -1.2280 | |
| 15 | T | A | -1.3997 | |
| 16 | D | A | -2.5272 | |
| 17 | G | A | -2.0378 | |
| 18 | P | A | -1.8695 | |
| 19 | K | A | -2.4584 | |
| 20 | G | A | -1.5099 | |
| 21 | A | A | -0.8852 | |
| 22 | S | A | -0.8191 | |
| 23 | G | A | -0.7902 | |
| 24 | P | A | -0.6475 | |
| 25 | A | A | -0.5349 | |
| 26 | G | A | -0.8183 | |
| 27 | P | A | -0.7328 | |
| 28 | P | A | -0.8600 | |
| 29 | G | A | -1.0185 | |
| 30 | A | A | -0.9313 | |
| 31 | Q | A | -1.5141 | |
| 32 | G | A | -1.0885 | |
| 33 | P | A | -0.6692 | |
| 34 | P | A | -0.5865 | |
| 35 | G | A | -0.3022 | |
| 36 | L | A | 0.6572 | |
| 37 | Q | A | -0.5963 | |
| 38 | G | A | -0.1218 | |
| 39 | M | A | 0.2583 | |
| 40 | P | A | -0.8714 | |
| 41 | G | A | -1.7854 | |
| 42 | E | A | -2.9766 | |
| 43 | R | A | -3.0672 | |
| 44 | G | A | -1.9668 | |
| 45 | A | A | -0.6840 | |
| 46 | A | A | -0.0011 | |
| 47 | G | A | 0.4287 | |
| 48 | I | A | 1.6938 | |
| 49 | A | A | 0.4473 | |
| 50 | G | A | -0.5739 | |
| 51 | P | A | -1.3766 | |
| 52 | K | A | -2.7409 | |
| 53 | G | A | -2.7341 | |
| 54 | D | A | -3.6275 | |
| 55 | R | A | -3.4316 | |
| 56 | G | A | -2.3799 | |
| 57 | D | A | -2.1247 | |
| 58 | V | A | -0.1923 | |
| 59 | G | A | -1.4495 | |
| 60 | E | A | -2.8228 | |
| 61 | K | A | -2.9830 | |
| 62 | G | A | -2.4192 | |
| 63 | P | A | -2.0826 | |
| 64 | E | A | -2.4739 | |
| 65 | G | A | -1.5739 | |
| 66 | A | A | -1.1170 | |
| 67 | P | A | -1.3578 | |
| 68 | G | A | -1.9653 | |
| 69 | K | A | -3.0423 | |
| 70 | D | A | -3.3212 | |
| 71 | G | A | -2.5711 | |
| 72 | G | A | -2.2026 | |
| 73 | R | A | -2.2239 | |
| 74 | G | A | -0.8792 | |
| 75 | L | A | 0.5560 | |
| 76 | T | A | 0.2835 | |
| 77 | G | A | 0.1572 | |
| 78 | P | A | 0.5677 | |
| 79 | I | A | 1.3843 | |
| 80 | G | A | 0.1240 | |
| 81 | P | A | -0.2840 | |
| 82 | P | A | -0.5252 | |
| 83 | G | A | -0.8856 | |
| 84 | P | A | -0.6660 | |
| 85 | A | A | -0.6306 | |
| 86 | G | A | -0.9478 | |
| 87 | A | A | -1.1844 | |
| 88 | N | A | -2.2719 | |
| 89 | G | A | -2.4511 | |
| 90 | E | A | -3.5289 | |
| 91 | K | A | -3.2970 | |
| 92 | G | A | -2.3121 | |
| 93 | E | A | -1.9719 | |
| 94 | V | A | 0.2514 | |
| 95 | G | A | -0.3489 | |
| 96 | P | A | -0.5618 | |
| 97 | P | A | -0.5276 | |
| 98 | G | A | -0.8607 | |
| 99 | P | A | -0.6757 | |
| 100 | A | A | -0.4775 | |
| 101 | G | A | -0.6908 | |
| 102 | S | A | -0.5297 | |
| 103 | A | A | -0.6411 | |
| 104 | G | A | -1.0257 | |
| 105 | A | A | -1.1699 | |
| 106 | R | A | -2.1717 | |
| 107 | G | A | -1.4879 | |
| 108 | A | A | -1.0670 | |
| 109 | P | A | -1.5890 | |
| 110 | G | A | -2.0321 | |
| 111 | E | A | -3.3333 | |
| 112 | R | A | -3.5752 | |
| 113 | G | A | -2.8353 | |
| 114 | E | A | -2.9015 | |
| 115 | T | A | -1.6854 | |
| 116 | G | A | -1.2763 | |
| 117 | P | A | -0.9853 | |
| 118 | P | A | -0.7805 | |
| 119 | G | A | -0.8912 | |
| 120 | P | A | -0.4318 | |
| 121 | A | A | 0.0298 | |
| 122 | G | A | 0.3284 | |
| 123 | F | A | 1.5786 | |
| 124 | A | A | 0.5698 | |
| 125 | G | A | -0.2603 | |
| 126 | P | A | -0.4689 | |
| 127 | P | A | -0.9375 | |
| 128 | G | A | -1.1911 | |
| 129 | A | A | -1.3658 | |
| 130 | D | A | -2.4587 | |
| 131 | G | A | -2.1271 | |
| 132 | Q | A | -2.0776 | |
| 133 | P | A | -1.6101 | |
| 134 | G | A | -1.3601 | |
| 135 | A | A | -1.2685 | |
| 136 | K | A | -2.6151 | |
| 137 | G | A | -2.5162 | |
| 138 | E | A | -3.1166 | |
| 139 | Q | A | -3.0456 | |
| 140 | G | A | -2.3454 | |
| 141 | E | A | -2.5318 | |
| 142 | A | A | -1.8371 | |
| 143 | G | A | -1.8821 | |
| 144 | Q | A | -2.7427 | |
| 145 | K | A | -3.0223 | |
| 146 | G | A | -2.5281 | |
| 147 | D | A | -2.6426 | |
| 148 | A | A | -1.4064 | |
| 149 | G | A | -1.0247 | |
| 150 | A | A | -0.6648 | |
| 151 | P | A | -0.8005 | |
| 152 | G | A | -1.1046 | |
| 153 | P | A | -1.2621 | |
| 154 | Q | A | -1.7786 | |
| 155 | G | A | -1.3595 | |
| 156 | P | A | -1.0022 | |
| 157 | S | A | -0.8710 | |
| 158 | G | A | -0.7796 | |
| 159 | A | A | -0.5303 | |
| 160 | P | A | -0.8456 | |
| 161 | G | A | -1.1047 | |
| 162 | P | A | -1.2448 | |
| 163 | Q | A | -1.7358 | |
| 164 | G | A | -1.2908 | |
| 165 | P | A | -0.6904 | |
| 166 | T | A | -0.2667 | |
| 167 | G | A | 0.1588 | |
| 168 | V | A | 1.3149 | |
| 169 | T | A | 0.1319 | |
| 170 | G | A | -0.7499 | |
| 171 | P | A | -1.2201 | |
| 172 | K | A | -2.3984 | |
| 173 | G | A | -1.8773 | |
| 174 | A | A | -1.5896 | |
| 175 | R | A | -2.5156 | |
| 176 | G | A | -1.7013 | |
| 177 | A | A | -1.2826 | |
| 178 | Q | A | -1.8307 | |
| 179 | G | A | -1.3122 | |
| 180 | P | A | -0.9805 | |
| 181 | P | A | -0.8470 | |
| 182 | G | A | -0.7388 | |
| 183 | A | A | -0.3628 | |
| 184 | T | A | 0.0122 | |
| 185 | G | A | 0.2764 | |
| 186 | F | A | 1.4708 | |
| 187 | P | A | 0.3559 | |
| 188 | G | A | -0.2126 | |
| 189 | A | A | -0.5162 | |
| 190 | A | A | -0.4902 | |
| 191 | G | A | -1.0207 | |
| 192 | R | A | -1.3418 | |
| 193 | V | A | 0.4528 | |
| 194 | G | A | -0.4255 | |
| 195 | P | A | -0.5504 | |
| 196 | P | A | -0.7070 | |
| 197 | G | A | -1.2408 | |
| 198 | S | A | -1.4435 | |
| 199 | N | A | -2.1068 | |
| 200 | G | A | -1.9865 | |
| 201 | N | A | -2.1219 | |
| 202 | P | A | -1.4859 | |
| 203 | G | A | -1.2502 | |
| 204 | P | A | -0.9907 | |
| 205 | P | A | -0.8531 | |
| 206 | G | A | -1.0244 | |
| 207 | P | A | -0.8510 | |
| 208 | P | A | -0.8487 | |
| 209 | G | A | -0.9616 | |
| 210 | P | A | -1.0298 | |
| 211 | S | A | -1.4076 | |
| 212 | G | A | -2.0404 | |
| 213 | K | A | -3.0360 | |
| 214 | D | A | -3.3340 | |
| 215 | G | A | -2.4573 | |
| 216 | P | A | -2.0778 | |
| 217 | K | A | -2.7294 | |
| 218 | G | A | -1.9162 | |
| 219 | A | A | -1.8443 | |
| 220 | R | A | -2.8973 | |
| 221 | G | A | -2.3836 | |
| 222 | D | A | -2.7151 | |
| 223 | S | A | -1.7986 | |
| 224 | G | A | -1.3000 | |
| 225 | P | A | -1.1653 | |
| 226 | P | A | -1.2035 | |
| 227 | G | A | -1.6273 | |
| 228 | R | A | -2.4445 | |
| 229 | A | A | -1.7088 | |
| 230 | G | A | -1.9115 | |
| 231 | E | A | -2.2894 | |
| 232 | P | A | -1.2677 | |
| 233 | G | A | -0.6689 | |
| 234 | L | A | 0.3416 | |
| 235 | Q | A | -0.8525 | |
| 236 | G | A | -0.8224 | |
| 237 | P | A | -0.6743 | |
| 238 | A | A | -0.6721 | |
| 239 | G | A | -0.7895 | |
| 240 | P | A | -0.9338 | |
| 241 | P | A | -1.4256 | |
| 242 | G | A | -2.0747 | |
| 243 | E | A | -3.2782 | |
| 244 | K | A | -3.4632 | |
| 245 | G | A | -2.7934 | |
| 246 | E | A | -3.1134 | |
| 247 | P | A | -2.4320 | |
| 248 | G | A | -2.4624 | |
| 249 | D | A | -3.2997 | |
| 250 | D | A | -3.1345 | |
| 251 | G | A | -2.0848 | |
| 252 | P | A | -1.3313 | |
| 253 | S | A | -1.2064 | |
| 254 | G | A | -1.1823 | |
| 255 | A | A | -1.2732 | |
| 256 | E | A | -2.2519 | |
| 257 | G | A | -1.6515 | |
| 258 | P | A | -1.1591 | |
| 259 | P | A | -1.1467 | |
| 260 | G | A | -1.1974 | |
| 261 | P | A | -1.0881 | |
| 262 | Q | A | -1.3372 | |
| 263 | G | A | -0.4805 | |
| 264 | L | A | 0.8078 | |
| 265 | A | A | -0.1175 | |
| 266 | G | A | -1.2007 | |
| 267 | Q | A | -2.0317 | |
| 268 | R | A | -2.1090 | |
| 269 | G | A | -0.3923 | |
| 270 | I | A | 2.1510 | |
| 271 | V | A | 2.5311 | |
| 272 | G | A | 1.4380 | |
| 273 | L | A | 1.5675 | |
| 274 | P | A | -0.1447 | |
| 275 | G | A | -1.3427 | |
| 276 | Q | A | -2.5178 | |
| 277 | R | A | -3.4205 | |
| 278 | G | A | -3.0820 | |
| 279 | E | A | -3.3992 | |
| 280 | R | A | -2.8494 | |
| 281 | G | A | -1.0534 | |
| 282 | F | A | 1.0348 | |
| 283 | P | A | 0.4633 | |
| 284 | G | A | 0.4513 | |
| 285 | L | A | 1.2185 | |
| 286 | P | A | 0.0393 | |
| 287 | G | A | -0.5036 | |
| 288 | P | A | -0.7922 | |
| 289 | S | A | -1.1352 | |
| 290 | G | A | -1.6989 | |
| 291 | E | A | -2.5702 | |
| 292 | P | A | -1.9891 | |
| 293 | G | A | -2.2731 | |
| 294 | K | A | -2.8935 | |
| 295 | Q | A | -2.3908 | |
| 296 | G | A | -1.6132 | |
| 297 | A | A | -0.8531 | |
| 298 | P | A | -0.6863 | |
| 299 | G | A | -0.7100 | |
| 300 | A | A | -0.6270 | |
| 301 | S | A | -1.1238 | |
| 302 | G | A | -1.9440 | |
| 303 | D | A | -3.0813 | |
| 304 | R | A | -3.1393 | |
| 305 | G | A | -2.0675 | |
| 306 | P | A | -1.3512 | |
| 307 | P | A | -0.7535 | |
| 308 | G | A | -0.4880 | |
| 309 | P | A | 0.1428 | |
| 310 | V | A | 1.2080 | |
| 311 | G | A | 0.0385 | |
| 312 | P | A | -0.1498 | |
| 313 | P | A | -0.1579 | |
| 314 | G | A | -0.0253 | |
| 315 | L | A | 1.0630 | |
| 316 | T | A | 0.2590 | |
| 317 | G | A | -0.3429 | |
| 318 | P | A | -0.5827 | |
| 319 | A | A | -0.8352 | |
| 320 | G | A | -1.5262 | |
| 321 | E | A | -2.2794 | |
| 322 | P | A | -2.1015 | |
| 323 | G | A | -2.3369 | |
| 324 | R | A | -3.1234 | |
| 325 | E | A | -3.1418 | |
| 326 | G | A | -2.0742 | |
| 327 | S | A | -1.0351 | |
| 328 | P | A | -1.0830 | |
| 329 | G | A | -1.1864 | |
| 330 | A | A | -1.2781 | |
| 331 | D | A | -2.2277 | |
| 332 | G | A | -1.6410 | |
| 333 | P | A | -1.4072 | |
| 334 | P | A | -1.9219 | |
| 335 | G | A | -2.6668 | |
| 336 | R | A | -3.2375 | |
| 337 | D | A | -3.4179 | |
| 338 | G | A | -2.3781 | |
| 339 | A | A | -0.7833 | |
| 340 | A | A | -0.6782 | |
| 341 | G | A | -0.8769 | |
| 342 | V | A | 0.1041 | |
| 343 | K | A | -2.5505 | |
| 344 | G | A | -3.3207 | |
| 345 | D | A | -3.7624 | |
| 346 | R | A | -4.2803 | |
| 347 | G | A | -3.6469 | |
| 348 | E | A | -3.1462 | |
| 349 | T | A | -1.8817 | |
| 350 | G | A | -1.3453 | |
| 351 | A | A | 0.0487 | |
| 352 | V | A | 1.0901 | |
| 353 | G | A | -0.0873 | |
| 354 | A | A | -0.2913 | |
| 355 | P | A | -0.9508 | |
| 356 | G | A | -1.2970 | |
| 357 | A | A | -0.5534 | |
| 358 | P | A | -0.8756 | |
| 359 | G | A | -1.0447 | |
| 360 | P | A | -0.8372 | |
| 361 | P | A | -0.9054 | |
| 362 | G | A | -1.0374 | |
| 363 | S | A | -0.8744 | |
| 364 | P | A | -0.7601 | |
| 365 | G | A | -0.9897 | |
| 366 | P | A | -0.6911 | |
| 367 | A | A | -0.5116 | |
| 368 | G | A | -0.7737 | |
| 369 | P | A | -0.8484 | |
| 370 | T | A | -1.1117 | |
| 371 | G | A | -1.8431 | |
| 372 | K | A | -2.8556 | |
| 373 | Q | A | -3.0375 | |
| 374 | G | A | -2.9206 | |
| 375 | D | A | -3.6665 | |
| 376 | R | A | -3.6324 | |
| 377 | G | A | -2.8381 | |
| 378 | E | A | -2.7560 | |
| 379 | A | A | -1.5681 | |
| 380 | G | A | -1.3084 | |
| 381 | A | A | -1.1088 | |
| 382 | Q | A | -1.3631 | |
| 383 | G | A | -1.0273 | |
| 384 | P | A | -0.3536 | |
| 385 | M | A | 0.2199 | |
| 386 | G | A | -0.5889 | |
| 387 | P | A | -0.5955 | |
| 388 | S | A | -0.7804 | |
| 389 | G | A | -1.0938 | |
| 390 | P | A | -0.6997 | |
| 391 | A | A | -0.8975 | |
| 392 | G | A | -1.3545 | |
| 393 | A | A | -1.0183 | |
| 394 | R | A | -1.7588 | |
| 395 | G | A | -0.5884 | |
| 396 | I | A | 0.8590 | |
| 397 | Q | A | -0.7550 | |
| 398 | G | A | -0.9276 | |
| 399 | P | A | -1.3356 | |
| 400 | Q | A | -2.5930 | |
| 401 | G | A | -2.6214 | |
| 402 | P | A | -2.3670 | |
| 403 | R | A | -3.8744 | |
| 404 | G | A | -3.9282 | |
| 405 | D | A | -4.0015 | |
| 406 | K | A | -3.8739 | |
| 407 | G | A | -2.9664 | |
| 408 | E | A | -3.1449 | |
| 409 | A | A | -2.2117 | |
| 410 | G | A | -2.4212 | |
| 411 | E | A | -3.0608 | |
| 412 | P | A | -2.8112 | |
| 413 | G | A | -3.1756 | |
| 414 | E | A | -3.2130 | |
| 415 | R | A | -2.9838 | |
| 416 | G | A | -1.6459 | |
| 417 | L | A | -0.5034 | |
| 418 | K | A | -1.7292 | |
| 419 | G | A | -1.9256 | |
| 420 | H | A | -2.1427 | |
| 421 | R | A | -2.2203 | |
| 422 | G | A | -0.8228 | |
| 423 | F | A | 1.2266 | |
| 424 | T | A | 0.6598 | |
| 425 | G | A | 0.1460 | |
| 426 | L | A | 1.0362 | |
| 427 | Q | A | -0.6525 | |
| 428 | G | A | -0.3861 | |
| 429 | L | A | 0.8621 | |
| 430 | P | A | -0.3551 | |
| 431 | G | A | -0.7542 | |
| 432 | P | A | -0.6207 | |
| 433 | P | A | -1.1538 | |
| 434 | G | A | -1.2214 | |
| 435 | P | A | -1.1007 | |
| 436 | S | A | -1.3515 | |
| 437 | G | A | -1.8660 | |
| 438 | D | A | -2.6885 | |
| 439 | Q | A | -2.3835 | |
| 440 | G | A | -1.6681 | |
| 441 | A | A | -1.0491 | |
| 442 | S | A | -1.0339 | |
| 443 | G | A | -1.2081 | |
| 444 | P | A | -0.9285 | |
| 445 | A | A | -1.2648 | |
| 446 | G | A | -1.4050 | |
| 447 | P | A | -1.1819 | |
| 448 | S | A | -1.6633 | |
| 449 | G | A | -1.5599 | |
| 450 | P | A | -1.6613 | |
| 451 | R | A | -2.0644 | |
| 452 | G | A | -1.0165 | |
| 453 | P | A | -0.6511 | |
| 454 | P | A | -0.0443 | |
| 455 | G | A | 0.3285 | |
| 456 | P | A | 0.4487 | |
| 457 | V | A | 1.3885 | |
| 458 | G | A | 0.3591 | |
| 459 | P | A | -0.4189 | |
| 460 | S | A | -1.2655 | |
| 461 | G | A | -2.4351 | |
| 462 | K | A | -3.0948 | |
| 463 | D | A | -3.1505 | |
| 464 | G | A | -2.1537 | |
| 465 | A | A | -1.2742 | |
| 466 | N | A | -1.3844 | |
| 467 | G | A | 0.0920 | |
| 468 | I | A | 1.6207 | |
| 469 | P | A | 1.0190 | |
| 470 | G | A | 0.8762 | |
| 471 | P | A | 0.9112 | |
| 472 | I | A | 1.2382 | |
| 473 | G | A | 0.0587 | |
| 474 | P | A | -0.4626 | |
| 475 | P | A | -1.2061 | |
| 476 | G | A | -1.5918 | |
| 477 | P | A | -1.9044 | |
| 478 | R | A | -2.7571 | |
| 479 | G | A | -2.2889 | |
| 480 | R | A | -2.8945 | |
| 481 | S | A | -2.0667 | |
| 482 | G | A | -1.8241 | |
| 483 | E | A | -2.4124 | |
| 484 | T | A | -1.4752 | |
| 485 | G | A | -1.1698 | |
| 486 | P | A | -0.8971 | |
| 487 | A | A | -1.1492 | |
| 488 | G | A | -1.3952 | |
| 489 | P | A | -1.0365 | |
| 490 | P | A | -1.1255 | |
| 491 | G | A | -1.4790 | |
| 492 | N | A | -1.8400 | |
| 493 | P | A | -1.4710 | |
| 494 | G | A | -1.3545 | |
| 495 | P | A | -1.0236 | |
| 496 | P | A | -0.8098 | |
| 497 | G | A | -1.1126 | |
| 498 | P | A | -1.0552 | |
| 499 | P | A | -1.0780 | |
| 500 | G | A | -1.1411 | |
| 501 | P | A | -0.9164 | |
| 502 | P | A | -0.9006 | |
| 503 | G | A | -0.7564 | |
| 504 | P | A | -0.5234 | |
| 505 | G | A | -0.1519 | |
| 506 | I | A | 1.0655 | |
| 507 | D | A | -0.2811 | |
| 508 | M | A | 1.1659 | |
| 509 | S | A | 0.5676 | |
| 510 | A | A | 0.9697 | |
| 511 | F | A | 2.1509 | |
| 512 | A | A | 1.1982 | |
| 513 | G | A | 0.7732 | |
| 514 | L | A | 1.2213 | |
| 515 | G | A | -0.3319 | |
| 516 | P | A | -1.4511 | |
| 517 | R | A | -3.2045 | |
| 518 | E | A | -3.7764 | |
| 519 | K | A | -3.2475 | |
| 520 | G | A | -2.2620 | |
| 521 | P | A | -1.8083 | |
| 522 | D | A | -1.8197 | |
| 523 | P | A | -0.8680 | |
| 524 | L | A | 0.6868 | |
| 525 | Q | A | 0.3982 | |
| 526 | Y | A | 1.1993 | |
| 527 | M | A | 0.5772 | |
| 528 | R | A | -1.1404 | |
| 529 | A | A | -1.0974 | |
| 530 | G | A | -1.1675 | |
| 531 | G | A | -1.0520 | |
| 532 | G | A | -1.1334 | |
| 533 | G | A | -1.0978 | |
| 534 | S | A | -0.9587 | |
| 535 | G | A | -1.0938 | |
| 536 | G | A | -1.1543 | |
| 537 | G | A | -1.1541 | |
| 538 | G | A | -1.2392 | |
| 539 | S | A | -1.1665 | |
| 540 | E | A | -0.8307 | |
| 541 | V | A | 1.1254 | |
| 542 | V | A | 0.9473 | |
| 543 | R | A | -1.3092 | |
| 544 | K | A | -1.0159 | |
| 545 | I | A | 1.6036 | |
| 546 | V | A | 2.2542 | |
| 547 | P | A | 0.9448 | |
| 548 | T | A | 0.0950 | |
| 549 | T | A | -0.5472 | |
| 550 | T | A | -1.3133 | |
| 551 | K | A | -2.7045 | |
| 552 | R | A | -3.0559 | |
| 553 | P | A | -2.1694 | |
| 554 | H | A | -1.7582 | |
| 555 | S | A | -1.0490 | |
| 556 | G | A | -1.3047 | |
| 557 | P | A | -1.4711 | |
| 558 | R | A | -2.4788 | |
| 559 | S | A | -1.9844 | |
| 560 | N | A | -2.0164 | |
| 561 | P | A | -1.4079 | |
| 562 | G | A | -0.9489 | |
| 563 | A | A | -0.8471 | |
| 564 | G | A | -1.0659 | |
| 565 | R | A | -1.5796 | |
| 566 | L | A | -0.3763 | |
| 567 | N | A | -1.9518 | |
| 568 | N | A | -2.4754 | |
| 569 | E | A | -3.1603 | |
| 570 | T | A | -2.2431 | |
| 571 | R | A | -2.2675 | |
| 572 | P | A | -0.9495 | |
| 573 | S | A | -0.4308 | |
| 574 | V | A | 0.1449 | |
| 575 | Q | A | -1.8191 | |
| 576 | E | A | -3.0875 | |
| 577 | D | A | -3.1888 | |
| 578 | S | A | -2.0584 | |
| 579 | Q | A | -1.6742 | |
| 580 | A | A | -0.1768 | |
| 581 | F | A | 0.7786 | |
| 582 | N | A | -1.3709 | |
| 583 | P | A | -1.5807 | |
| 584 | D | A | -2.5657 | |
| 585 | N | A | -2.3868 | |
| 586 | P | A | -1.1499 | |
| 587 | Y | A | -0.3403 | |
| 588 | H | A | -1.8108 | |
| 589 | Q | A | -2.4070 | |
| 590 | Q | A | -3.1141 | |
| 591 | E | A | -3.4900 | |
| 592 | G | A | -2.5877 | |
| 593 | E | A | -2.4289 | |
| 594 | S | A | -0.7076 | |
| 595 | M | A | 0.7246 | |
| 596 | T | A | 0.6581 | |
| 597 | F | A | 1.0628 | |
| 598 | D | A | -1.1614 | |
| 599 | P | A | -1.3767 | |
| 600 | R | A | -2.0588 | |
| 601 | L | A | -0.9676 | |
| 602 | D | A | -2.4475 | |
| 603 | H | A | -2.5777 | |
| 604 | E | A | -2.4301 | |
| 605 | G | A | -1.0580 | |
| 606 | I | A | 0.6636 | |
| 607 | C | A | 0.9762 | |
| 608 | C | A | 0.7862 | |
| 609 | I | A | 0.1547 | |
| 610 | E | A | -2.3936 | |
| 611 | C | A | -2.1164 | |
| 612 | R | A | -2.9284 | |
| 613 | R | A | -2.8513 | |
| 614 | S | A | -1.4174 | |
| 615 | Y | A | -0.3377 | |
| 616 | T | A | -0.6728 | |
| 617 | H | A | -1.2370 | |
| 618 | C | A | -0.8462 | |
| 619 | Q | A | -1.6609 | |
| 620 | K | A | -1.9250 | |
| 621 | I | A | 0.3431 | |
| 622 | C | A | -0.0802 | |
| 623 | E | A | -1.6473 | |
| 624 | P | A | -0.4158 | |
| 625 | L | A | 1.1357 | |
| 626 | G | A | 0.1274 | |
| 627 | G | A | 0.5357 | |
| 628 | Y | A | 1.8933 | |
| 629 | Y | A | 1.9354 | |
| 630 | P | A | 1.3118 | |
| 631 | W | A | 1.6219 | |
| 632 | P | A | 0.9029 | |
| 633 | Y | A | 1.0979 | |
| 634 | N | A | -0.2440 | |
| 635 | Y | A | 0.4637 | |
| 636 | Q | A | -1.0303 | |
| 637 | G | A | -0.9537 | |
| 638 | C | A | -0.3714 | |
| 639 | R | A | -1.6503 | |
| 640 | S | A | -1.5256 | |
| 641 | A | A | -1.4002 | |
| 642 | C | A | -0.8361 | |
| 643 | R | A | -1.0028 | |
| 644 | V | A | 1.0205 | |
| 645 | I | A | 2.1526 | |
| 646 | M | A | 1.4572 | |
| 647 | P | A | 0.6926 | |
| 648 | C | A | 1.0159 | |
| 649 | S | A | 0.5103 | |
| 650 | W | A | 1.5674 | |
| 651 | W | A | 1.7734 | |
| 652 | V | A | 2.2662 | |
| 653 | A | A | 1.8769 | |
| 654 | R | A | 0.9740 | |
| 655 | I | A | 2.7180 | |
| 656 | L | A | 2.6353 | |
| 657 | G | A | 1.4420 | |
| 658 | M | A | 2.2196 | |
| 659 | V | A | 2.3611 |
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 | 0.2732 | 5.9736 | View | CSV | PDB |
| 4.5 | 0.2138 | 5.9736 | View | CSV | PDB |
| 5.0 | 0.1424 | 5.9736 | View | CSV | PDB |
| 5.5 | 0.0709 | 5.9736 | View | CSV | PDB |
| 6.0 | 0.0107 | 5.9736 | View | CSV | PDB |
| 6.5 | -0.0302 | 5.9736 | View | CSV | PDB |
| 7.0 | -0.0515 | 5.9736 | View | CSV | PDB |
| 7.5 | -0.0594 | 5.9735 | View | CSV | PDB |
| 8.0 | -0.0593 | 5.9734 | View | CSV | PDB |
| 8.5 | -0.0522 | 5.9728 | View | CSV | PDB |
| 9.0 | -0.0368 | 5.9709 | 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