| Chain sequence(s) |
A: MARFSIPMIGFLLLCIILLAPTEAAYLKYKDPKQPLNVRIQDLMKRMTLEEKIGQMVQIERSVATPDAMTKYFIGSVLSGGGSVPAPKASAEAWVNLVNGIQKGSLSTRLGIPMIYGIDAVHGNNNVYNATIFPHNVGLGATRDPKLVKKIGEATALEVRATGIPYVFAPCIAVCRDPRWGRCYESYSEDHKIVQAMTELIPGLQGDMPPSAQKGAPFVSTAKGKVAACAKHYVGDGGTTKGINENNTVIDLNGLLSIHMPAYFDSILKGVATVMVSYSSWNGKKMHANQELVTGFLKNKLRFRGFVISDWEGIDRLTSPPKANYSYSVQAGVSAGIDMIMVPYNFTEFIDDLTNQVKNNIIPMSRIDDAVRRILRVKFVMGLFEEPLADLSLVNELGKKAHRDLAREAVRKSLVLLKNGENADTPVLPLPKKTKRILVAGTHANNLGYQCGGWSLTWQGVSGNNYTAGTTILSAITAAVDPSTEIVFSENPDADFLKSNNFSYAIVVVGEQPYAETKGDSLNLTIAEPGPQTITNVCGAVKCVVVVVSGRPVVIEPYVSSMDALVAAWLPGTEGQGVSDVLFGDYGFSGKLPRTWFKTVDQLPMNVGDAHYDPLFPFDFGLATDPVEQL
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] (00:00:01)
[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 (00:09:54)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/6775bbda457ccdc/tmp/folded.pdb (00:09:54)
[INFO] Main: Simulation completed successfully. (00:14:58)
|
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 | 0.8623 | |
| 2 | A | A | 0.2130 | |
| 3 | R | A | -0.6520 | |
| 4 | F | A | 1.5496 | |
| 5 | S | A | 1.4027 | |
| 6 | I | A | 2.7900 | |
| 7 | P | A | 1.9339 | |
| 8 | M | A | 2.6851 | |
| 9 | I | A | 3.5158 | |
| 10 | G | A | 2.6973 | |
| 11 | F | A | 4.1043 | |
| 12 | L | A | 4.5861 | |
| 13 | L | A | 4.9327 | |
| 14 | L | A | 4.8050 | |
| 15 | C | A | 4.7321 | |
| 16 | I | A | 5.2784 | |
| 17 | I | A | 5.0139 | |
| 18 | L | A | 4.2260 | |
| 19 | L | A | 3.3646 | |
| 20 | A | A | 1.5289 | |
| 21 | P | A | -0.1553 | |
| 22 | T | A | -0.8057 | |
| 23 | E | A | -1.6615 | |
| 24 | A | A | -0.4404 | |
| 25 | A | A | 0.2173 | |
| 26 | Y | A | 0.8136 | |
| 27 | L | A | 0.0948 | |
| 28 | K | A | -1.2081 | |
| 29 | Y | A | 0.0000 | |
| 30 | K | A | -2.1321 | |
| 31 | D | A | -1.7023 | |
| 32 | P | A | -1.8323 | |
| 33 | K | A | -2.2751 | |
| 34 | Q | A | -1.6066 | |
| 35 | P | A | -0.8271 | |
| 36 | L | A | -0.4660 | |
| 37 | N | A | -1.3492 | |
| 38 | V | A | -0.5713 | |
| 39 | R | A | 0.0000 | |
| 40 | I | A | 0.0000 | |
| 41 | Q | A | -2.0436 | |
| 42 | D | A | -1.7518 | |
| 43 | L | A | 0.0000 | |
| 44 | M | A | 0.0000 | |
| 45 | K | A | -2.3332 | |
| 46 | R | A | -1.7457 | |
| 47 | M | A | 0.0000 | |
| 48 | T | A | -0.8671 | |
| 49 | L | A | -0.7605 | |
| 50 | E | A | -1.7694 | |
| 51 | E | A | 0.0000 | |
| 52 | K | A | -0.7362 | |
| 53 | I | A | 0.0000 | |
| 54 | G | A | 0.0000 | |
| 55 | Q | A | 0.0000 | |
| 56 | M | A | 0.0000 | |
| 57 | V | A | 0.0000 | |
| 58 | Q | A | 0.0000 | |
| 59 | I | A | 0.0000 | |
| 60 | E | A | 0.0000 | |
| 61 | R | A | -0.3224 | |
| 62 | S | A | -0.0629 | |
| 63 | V | A | 0.0211 | |
| 64 | A | A | 0.0000 | |
| 65 | T | A | -0.9720 | |
| 66 | P | A | -1.6928 | |
| 67 | D | A | -2.2999 | |
| 68 | A | A | -1.2894 | |
| 69 | M | A | 0.0000 | |
| 70 | T | A | -1.7941 | |
| 71 | K | A | -2.2133 | |
| 72 | Y | A | -0.9433 | |
| 73 | F | A | -0.7186 | |
| 74 | I | A | 0.0000 | |
| 75 | G | A | 0.0000 | |
| 76 | S | A | 0.0000 | |
| 77 | V | A | 0.0000 | |
| 78 | L | A | 0.0000 | |
| 79 | S | A | 0.0000 | |
| 80 | G | A | -0.1450 | |
| 81 | G | A | -0.0754 | |
| 82 | G | A | -0.1034 | |
| 83 | S | A | 0.0000 | |
| 84 | V | A | -0.0718 | |
| 85 | P | A | -0.3931 | |
| 86 | A | A | -0.4518 | |
| 87 | P | A | -0.8034 | |
| 88 | K | A | -1.5258 | |
| 89 | A | A | 0.0000 | |
| 90 | S | A | -0.9146 | |
| 91 | A | A | 0.0000 | |
| 92 | E | A | -1.0459 | |
| 93 | A | A | -0.9555 | |
| 94 | W | A | 0.0000 | |
| 95 | V | A | 0.0000 | |
| 96 | N | A | -1.3684 | |
| 97 | L | A | -0.6501 | |
| 98 | V | A | 0.0000 | |
| 99 | N | A | -1.0833 | |
| 100 | G | A | -1.1601 | |
| 101 | I | A | 0.0000 | |
| 102 | Q | A | 0.0000 | |
| 103 | K | A | -1.7417 | |
| 104 | G | A | 0.0000 | |
| 105 | S | A | 0.0000 | |
| 106 | L | A | -0.5689 | |
| 107 | S | A | -1.2976 | |
| 108 | T | A | -1.2959 | |
| 109 | R | A | -1.8766 | |
| 110 | L | A | 0.0000 | |
| 111 | G | A | -0.8642 | |
| 112 | I | A | 0.0000 | |
| 113 | P | A | 0.0000 | |
| 114 | M | A | 0.0000 | |
| 115 | I | A | 0.0000 | |
| 116 | Y | A | 0.0000 | |
| 117 | G | A | 0.0000 | |
| 118 | I | A | 0.0000 | |
| 119 | D | A | -0.1914 | |
| 120 | A | A | 0.0000 | |
| 121 | V | A | 0.0000 | |
| 122 | H | A | 0.0000 | |
| 123 | G | A | 0.0000 | |
| 124 | N | A | 0.0000 | |
| 125 | N | A | 0.0000 | |
| 126 | N | A | 0.0000 | |
| 127 | V | A | 0.0000 | |
| 128 | Y | A | -0.1456 | |
| 129 | N | A | -0.5489 | |
| 130 | A | A | 0.0000 | |
| 131 | T | A | 0.0000 | |
| 132 | I | A | 0.0000 | |
| 133 | F | A | 0.0000 | |
| 134 | P | A | 0.0000 | |
| 135 | H | A | 0.0000 | |
| 136 | N | A | 0.0000 | |
| 137 | V | A | 0.0000 | |
| 138 | G | A | 0.0000 | |
| 139 | L | A | 0.0000 | |
| 140 | G | A | 0.0000 | |
| 141 | A | A | 0.0000 | |
| 142 | T | A | -0.7786 | |
| 143 | R | A | -1.1863 | |
| 144 | D | A | -1.2001 | |
| 145 | P | A | -1.6034 | |
| 146 | K | A | -2.5562 | |
| 147 | L | A | 0.0000 | |
| 148 | V | A | 0.0000 | |
| 149 | K | A | -2.5105 | |
| 150 | K | A | -2.8543 | |
| 151 | I | A | 0.0000 | |
| 152 | G | A | 0.0000 | |
| 153 | E | A | -2.0225 | |
| 154 | A | A | 0.0000 | |
| 155 | T | A | 0.0000 | |
| 156 | A | A | 0.0000 | |
| 157 | L | A | -0.6723 | |
| 158 | E | A | 0.0000 | |
| 159 | V | A | 0.0000 | |
| 160 | R | A | -0.4028 | |
| 161 | A | A | 0.0000 | |
| 162 | T | A | 0.0000 | |
| 163 | G | A | 0.0000 | |
| 164 | I | A | 0.0000 | |
| 165 | P | A | 0.0000 | |
| 166 | Y | A | 0.0000 | |
| 167 | V | A | 0.0000 | |
| 168 | F | A | 0.0000 | |
| 169 | A | A | 0.0000 | |
| 170 | P | A | 0.0000 | |
| 171 | C | A | 0.0000 | |
| 172 | I | A | 0.0000 | |
| 173 | A | A | 0.0000 | |
| 174 | V | A | 0.0000 | |
| 175 | C | A | 0.0000 | |
| 176 | R | A | -0.4565 | |
| 177 | D | A | 0.0000 | |
| 178 | P | A | 0.0000 | |
| 179 | R | A | 0.0000 | |
| 180 | W | A | 0.0000 | |
| 181 | G | A | 0.0000 | |
| 182 | R | A | 0.0000 | |
| 183 | C | A | 0.0000 | |
| 184 | Y | A | 0.0000 | |
| 185 | E | A | 0.0000 | |
| 186 | S | A | 0.0000 | |
| 187 | Y | A | 0.0000 | |
| 188 | S | A | 0.0000 | |
| 189 | E | A | 0.0000 | |
| 190 | D | A | -0.8342 | |
| 191 | H | A | -1.1535 | |
| 192 | K | A | -1.9120 | |
| 193 | I | A | 0.0000 | |
| 194 | V | A | 0.0000 | |
| 195 | Q | A | -0.8683 | |
| 196 | A | A | -1.0242 | |
| 197 | M | A | 0.0000 | |
| 198 | T | A | 0.0000 | |
| 199 | E | A | -1.5560 | |
| 200 | L | A | 0.0000 | |
| 201 | I | A | 0.0000 | |
| 202 | P | A | 0.0000 | |
| 203 | G | A | 0.0000 | |
| 204 | L | A | 0.0000 | |
| 205 | Q | A | 0.0000 | |
| 206 | G | A | 0.0000 | |
| 207 | D | A | -1.8672 | |
| 208 | M | A | -1.2116 | |
| 209 | P | A | -0.8893 | |
| 210 | P | A | -1.0047 | |
| 211 | S | A | -0.8727 | |
| 212 | A | A | -1.1584 | |
| 213 | Q | A | -2.1837 | |
| 214 | K | A | -2.7156 | |
| 215 | G | A | 0.0000 | |
| 216 | A | A | -1.6602 | |
| 217 | P | A | 0.0000 | |
| 218 | F | A | -0.4799 | |
| 219 | V | A | 0.0000 | |
| 220 | S | A | -0.5977 | |
| 221 | T | A | -0.7686 | |
| 222 | A | A | -0.8595 | |
| 223 | K | A | -1.8264 | |
| 224 | G | A | 0.0000 | |
| 225 | K | A | -0.9036 | |
| 226 | V | A | 0.0000 | |
| 227 | A | A | 0.0000 | |
| 228 | A | A | 0.0000 | |
| 229 | C | A | 0.0000 | |
| 230 | A | A | 0.0000 | |
| 231 | K | A | 0.0000 | |
| 232 | H | A | 0.0000 | |
| 233 | Y | A | 0.0000 | |
| 234 | V | A | 0.0000 | |
| 235 | G | A | 0.0000 | |
| 236 | D | A | 0.0000 | |
| 237 | G | A | 0.0000 | |
| 238 | G | A | 0.0457 | |
| 239 | T | A | 0.0000 | |
| 240 | T | A | -0.2616 | |
| 241 | K | A | -0.8821 | |
| 242 | G | A | 0.0000 | |
| 243 | I | A | 0.0227 | |
| 244 | N | A | 0.0000 | |
| 245 | E | A | -0.7637 | |
| 246 | N | A | -0.8082 | |
| 247 | N | A | -0.7557 | |
| 248 | T | A | 0.0000 | |
| 249 | V | A | 1.2882 | |
| 250 | I | A | 0.3358 | |
| 251 | D | A | -1.1156 | |
| 252 | L | A | -0.0665 | |
| 253 | N | A | -1.1018 | |
| 254 | G | A | -0.4072 | |
| 255 | L | A | 0.0000 | |
| 256 | L | A | 0.1697 | |
| 257 | S | A | -0.0353 | |
| 258 | I | A | -0.1819 | |
| 259 | H | A | 0.0000 | |
| 260 | M | A | 0.0000 | |
| 261 | P | A | 0.1728 | |
| 262 | A | A | 0.0000 | |
| 263 | Y | A | 0.0000 | |
| 264 | F | A | 1.1292 | |
| 265 | D | A | 0.3564 | |
| 266 | S | A | 0.0000 | |
| 267 | I | A | 0.0000 | |
| 268 | L | A | -0.3625 | |
| 269 | K | A | -0.6149 | |
| 270 | G | A | 0.0000 | |
| 271 | V | A | 0.0000 | |
| 272 | A | A | 0.0000 | |
| 273 | T | A | 0.0000 | |
| 274 | V | A | 0.0000 | |
| 275 | M | A | 0.0000 | |
| 276 | V | A | 0.0000 | |
| 277 | S | A | 0.0000 | |
| 278 | Y | A | 0.0000 | |
| 279 | S | A | 0.0000 | |
| 280 | S | A | 0.0000 | |
| 281 | W | A | -0.6732 | |
| 282 | N | A | -0.7880 | |
| 283 | G | A | -1.4604 | |
| 284 | K | A | -2.2753 | |
| 285 | K | A | -1.7093 | |
| 286 | M | A | 0.0000 | |
| 287 | H | A | 0.0000 | |
| 288 | A | A | -0.9397 | |
| 289 | N | A | 0.0000 | |
| 290 | Q | A | -1.9497 | |
| 291 | E | A | -2.4625 | |
| 292 | L | A | 0.0000 | |
| 293 | V | A | 0.0000 | |
| 294 | T | A | -1.7319 | |
| 295 | G | A | -2.1444 | |
| 296 | F | A | -1.8158 | |
| 297 | L | A | 0.0000 | |
| 298 | K | A | 0.0000 | |
| 299 | N | A | -3.1082 | |
| 300 | K | A | -2.8564 | |
| 301 | L | A | 0.0000 | |
| 302 | R | A | -3.3171 | |
| 303 | F | A | 0.0000 | |
| 304 | R | A | -2.7733 | |
| 305 | G | A | 0.0000 | |
| 306 | F | A | 0.0000 | |
| 307 | V | A | 0.0000 | |
| 308 | I | A | 0.0000 | |
| 309 | S | A | 0.0000 | |
| 310 | D | A | 0.0000 | |
| 311 | W | A | -0.1832 | |
| 312 | E | A | -0.8770 | |
| 313 | G | A | 0.0000 | |
| 314 | I | A | 0.0000 | |
| 315 | D | A | -1.2506 | |
| 316 | R | A | -1.2417 | |
| 317 | L | A | -0.9054 | |
| 318 | T | A | -0.9122 | |
| 319 | S | A | -0.8793 | |
| 320 | P | A | -0.9823 | |
| 321 | P | A | -1.4138 | |
| 322 | K | A | -1.7845 | |
| 323 | A | A | -1.2359 | |
| 324 | N | A | -1.5677 | |
| 325 | Y | A | 0.0000 | |
| 326 | S | A | -0.9477 | |
| 327 | Y | A | -0.1516 | |
| 328 | S | A | 0.0000 | |
| 329 | V | A | 0.0000 | |
| 330 | Q | A | 0.1312 | |
| 331 | A | A | 0.0000 | |
| 332 | G | A | 0.0000 | |
| 333 | V | A | 0.0000 | |
| 334 | S | A | -0.2259 | |
| 335 | A | A | 0.0000 | |
| 336 | G | A | 0.0000 | |
| 337 | I | A | 0.0000 | |
| 338 | D | A | 0.0000 | |
| 339 | M | A | 0.0000 | |
| 340 | I | A | 0.0000 | |
| 341 | M | A | 0.0000 | |
| 342 | V | A | 0.0000 | |
| 343 | P | A | 0.0000 | |
| 344 | Y | A | 0.3695 | |
| 345 | N | A | -0.8622 | |
| 346 | F | A | 0.0000 | |
| 347 | T | A | -0.8926 | |
| 348 | E | A | -1.3700 | |
| 349 | F | A | 0.0000 | |
| 350 | I | A | -1.4791 | |
| 351 | D | A | -2.5608 | |
| 352 | D | A | -1.8942 | |
| 353 | L | A | 0.0000 | |
| 354 | T | A | -2.1882 | |
| 355 | N | A | -2.5762 | |
| 356 | Q | A | 0.0000 | |
| 357 | V | A | -1.3474 | |
| 358 | K | A | -2.6609 | |
| 359 | N | A | -2.3746 | |
| 360 | N | A | -1.5331 | |
| 361 | I | A | 0.5107 | |
| 362 | I | A | 0.0000 | |
| 363 | P | A | -0.4079 | |
| 364 | M | A | -0.1075 | |
| 365 | S | A | -0.3958 | |
| 366 | R | A | -0.6122 | |
| 367 | I | A | 0.0000 | |
| 368 | D | A | -1.0005 | |
| 369 | D | A | -1.2688 | |
| 370 | A | A | 0.0000 | |
| 371 | V | A | 0.0000 | |
| 372 | R | A | -2.1094 | |
| 373 | R | A | 0.0000 | |
| 374 | I | A | 0.0000 | |
| 375 | L | A | 0.0000 | |
| 376 | R | A | -0.8889 | |
| 377 | V | A | 0.0000 | |
| 378 | K | A | 0.0000 | |
| 379 | F | A | 0.0000 | |
| 380 | V | A | 0.4115 | |
| 381 | M | A | 0.0000 | |
| 382 | G | A | -0.6882 | |
| 383 | L | A | 0.0000 | |
| 384 | F | A | -0.9518 | |
| 385 | E | A | -1.8619 | |
| 386 | E | A | -2.0960 | |
| 387 | P | A | -1.0768 | |
| 388 | L | A | -0.5660 | |
| 389 | A | A | -0.4214 | |
| 390 | D | A | -0.6369 | |
| 391 | L | A | 0.5537 | |
| 392 | S | A | -0.2034 | |
| 393 | L | A | -0.3732 | |
| 394 | V | A | -0.4240 | |
| 395 | N | A | -1.2870 | |
| 396 | E | A | -1.1651 | |
| 397 | L | A | -0.8030 | |
| 398 | G | A | -1.2010 | |
| 399 | K | A | -2.2263 | |
| 400 | K | A | -2.4954 | |
| 401 | A | A | -1.5811 | |
| 402 | H | A | 0.0000 | |
| 403 | R | A | -1.8974 | |
| 404 | D | A | -2.1739 | |
| 405 | L | A | -1.3431 | |
| 406 | A | A | 0.0000 | |
| 407 | R | A | -1.5084 | |
| 408 | E | A | -1.3122 | |
| 409 | A | A | 0.0000 | |
| 410 | V | A | 0.0000 | |
| 411 | R | A | -0.7827 | |
| 412 | K | A | -1.0313 | |
| 413 | S | A | 0.0000 | |
| 414 | L | A | 0.0000 | |
| 415 | V | A | 0.0000 | |
| 416 | L | A | 0.0000 | |
| 417 | L | A | 0.0000 | |
| 418 | K | A | -0.8086 | |
| 419 | N | A | -1.1830 | |
| 420 | G | A | -2.0850 | |
| 421 | E | A | -2.9259 | |
| 422 | N | A | -2.7932 | |
| 423 | A | A | -1.8978 | |
| 424 | D | A | -2.4872 | |
| 425 | T | A | -1.7055 | |
| 426 | P | A | -1.3696 | |
| 427 | V | A | -0.7684 | |
| 428 | L | A | 0.0000 | |
| 429 | P | A | -0.1900 | |
| 430 | L | A | 0.0000 | |
| 431 | P | A | -0.9393 | |
| 432 | K | A | -1.8893 | |
| 433 | K | A | -2.9429 | |
| 434 | T | A | -2.4140 | |
| 435 | K | A | -3.0116 | |
| 436 | R | A | -2.3600 | |
| 437 | I | A | 0.0000 | |
| 438 | L | A | 0.0000 | |
| 439 | V | A | 0.0000 | |
| 440 | A | A | 0.0000 | |
| 441 | G | A | 0.0000 | |
| 442 | T | A | -1.2605 | |
| 443 | H | A | 0.0000 | |
| 444 | A | A | 0.0000 | |
| 445 | N | A | -0.8897 | |
| 446 | N | A | -0.6923 | |
| 447 | L | A | 0.0000 | |
| 448 | G | A | 0.0000 | |
| 449 | Y | A | -0.3273 | |
| 450 | Q | A | 0.0000 | |
| 451 | C | A | 0.0000 | |
| 452 | G | A | 0.0000 | |
| 453 | G | A | 0.0000 | |
| 454 | W | A | 0.0000 | |
| 455 | S | A | 0.0000 | |
| 456 | L | A | 0.0000 | |
| 457 | T | A | 0.1899 | |
| 458 | W | A | 0.1747 | |
| 459 | Q | A | -0.5038 | |
| 460 | G | A | -0.0357 | |
| 461 | V | A | -0.0839 | |
| 462 | S | A | -0.4521 | |
| 463 | G | A | -0.6747 | |
| 464 | N | A | -1.1040 | |
| 465 | N | A | -1.0839 | |
| 466 | Y | A | 0.0125 | |
| 467 | T | A | -0.3147 | |
| 468 | A | A | -0.3515 | |
| 469 | G | A | -0.6461 | |
| 470 | T | A | -0.4338 | |
| 471 | T | A | 0.0000 | |
| 472 | I | A | 0.0000 | |
| 473 | L | A | 0.0355 | |
| 474 | S | A | -0.2274 | |
| 475 | A | A | 0.0000 | |
| 476 | I | A | 0.0000 | |
| 477 | T | A | -0.2966 | |
| 478 | A | A | -0.1330 | |
| 479 | A | A | -0.5491 | |
| 480 | V | A | 0.0000 | |
| 481 | D | A | -1.9650 | |
| 482 | P | A | -1.2324 | |
| 483 | S | A | -1.7521 | |
| 484 | T | A | 0.0000 | |
| 485 | E | A | -2.5371 | |
| 486 | I | A | -0.5566 | |
| 487 | V | A | 0.0904 | |
| 488 | F | A | 0.2124 | |
| 489 | S | A | -0.9831 | |
| 490 | E | A | -2.3482 | |
| 491 | N | A | -2.3796 | |
| 492 | P | A | 0.0000 | |
| 493 | D | A | -2.8968 | |
| 494 | A | A | -2.1121 | |
| 495 | D | A | -2.7501 | |
| 496 | F | A | -1.7906 | |
| 497 | L | A | 0.0000 | |
| 498 | K | A | -2.8532 | |
| 499 | S | A | -1.8415 | |
| 500 | N | A | -1.6743 | |
| 501 | N | A | -2.1331 | |
| 502 | F | A | 0.0000 | |
| 503 | S | A | -1.1206 | |
| 504 | Y | A | 0.0000 | |
| 505 | A | A | 0.0000 | |
| 506 | I | A | 0.0000 | |
| 507 | V | A | 0.0000 | |
| 508 | V | A | 0.0000 | |
| 509 | V | A | 0.0000 | |
| 510 | G | A | 0.0000 | |
| 511 | E | A | 0.0000 | |
| 512 | Q | A | -1.0390 | |
| 513 | P | A | -0.6992 | |
| 514 | Y | A | 0.0000 | |
| 515 | A | A | 0.0000 | |
| 516 | E | A | -0.8136 | |
| 517 | T | A | -1.0828 | |
| 518 | K | A | -1.9986 | |
| 519 | G | A | 0.0000 | |
| 520 | D | A | -0.8852 | |
| 521 | S | A | -0.2950 | |
| 522 | L | A | 0.4036 | |
| 523 | N | A | -0.8067 | |
| 524 | L | A | 0.0000 | |
| 525 | T | A | -0.3987 | |
| 526 | I | A | 0.0000 | |
| 527 | A | A | -1.2196 | |
| 528 | E | A | -2.1369 | |
| 529 | P | A | -1.8553 | |
| 530 | G | A | 0.0000 | |
| 531 | P | A | -0.9196 | |
| 532 | Q | A | -1.6127 | |
| 533 | T | A | 0.0000 | |
| 534 | I | A | 0.0000 | |
| 535 | T | A | -0.7431 | |
| 536 | N | A | -1.3402 | |
| 537 | V | A | 0.0000 | |
| 538 | C | A | -0.5671 | |
| 539 | G | A | -0.6657 | |
| 540 | A | A | -1.2490 | |
| 541 | V | A | -0.9896 | |
| 542 | K | A | -1.2187 | |
| 543 | C | A | 0.0000 | |
| 544 | V | A | 0.0000 | |
| 545 | V | A | 0.0000 | |
| 546 | V | A | 0.0000 | |
| 547 | V | A | 0.0000 | |
| 548 | V | A | 0.0000 | |
| 549 | S | A | 0.0000 | |
| 550 | G | A | 0.0000 | |
| 551 | R | A | 0.0000 | |
| 552 | P | A | 0.0000 | |
| 553 | V | A | 0.0000 | |
| 554 | V | A | -0.3427 | |
| 555 | I | A | 0.0000 | |
| 556 | E | A | -0.8834 | |
| 557 | P | A | -0.5657 | |
| 558 | Y | A | -0.1369 | |
| 559 | V | A | -0.1943 | |
| 560 | S | A | -0.5973 | |
| 561 | S | A | -0.6646 | |
| 562 | M | A | 0.0000 | |
| 563 | D | A | -1.4036 | |
| 564 | A | A | 0.0000 | |
| 565 | L | A | 0.0000 | |
| 566 | V | A | 0.0000 | |
| 567 | A | A | 0.0000 | |
| 568 | A | A | 0.0000 | |
| 569 | W | A | 0.0000 | |
| 570 | L | A | 0.0000 | |
| 571 | P | A | 0.0000 | |
| 572 | G | A | 0.0000 | |
| 573 | T | A | 0.0000 | |
| 574 | E | A | 0.0000 | |
| 575 | G | A | 0.0000 | |
| 576 | Q | A | -0.8317 | |
| 577 | G | A | 0.0000 | |
| 578 | V | A | 0.0000 | |
| 579 | S | A | 0.0000 | |
| 580 | D | A | 0.0000 | |
| 581 | V | A | 0.0000 | |
| 582 | L | A | 0.0000 | |
| 583 | F | A | 0.0000 | |
| 584 | G | A | 0.0000 | |
| 585 | D | A | -0.5177 | |
| 586 | Y | A | -0.0770 | |
| 587 | G | A | -0.4487 | |
| 588 | F | A | 0.0000 | |
| 589 | S | A | -0.6414 | |
| 590 | G | A | 0.0000 | |
| 591 | K | A | -1.1223 | |
| 592 | L | A | 0.0000 | |
| 593 | P | A | 0.0000 | |
| 594 | R | A | 0.0000 | |
| 595 | T | A | 0.0000 | |
| 596 | W | A | 0.0000 | |
| 597 | F | A | 0.0000 | |
| 598 | K | A | -1.7737 | |
| 599 | T | A | -1.4857 | |
| 600 | V | A | -0.9465 | |
| 601 | D | A | -1.9645 | |
| 602 | Q | A | -1.6833 | |
| 603 | L | A | 0.0000 | |
| 604 | P | A | -0.9661 | |
| 605 | M | A | 0.0000 | |
| 606 | N | A | 0.0000 | |
| 607 | V | A | -0.1006 | |
| 608 | G | A | -0.4072 | |
| 609 | D | A | -0.9166 | |
| 610 | A | A | -0.7922 | |
| 611 | H | A | -1.4720 | |
| 612 | Y | A | -1.1296 | |
| 613 | D | A | -2.0833 | |
| 614 | P | A | -1.0784 | |
| 615 | L | A | -0.6836 | |
| 616 | F | A | 0.0000 | |
| 617 | P | A | -0.3839 | |
| 618 | F | A | -0.3762 | |
| 619 | D | A | -1.3923 | |
| 620 | F | A | -0.3302 | |
| 621 | G | A | -0.2350 | |
| 622 | L | A | 0.3435 | |
| 623 | A | A | -0.2715 | |
| 624 | T | A | -0.5844 | |
| 625 | D | A | -1.6437 | |
| 626 | P | A | -0.7446 | |
| 627 | V | A | 0.1891 | |
| 628 | E | A | -1.3976 | |
| 629 | Q | A | -0.9686 | |
| 630 | L | A | 0.7125 |
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 globular. Max score is recommended for pH analysis.
pH |
Average A4D Score |
Max A4D Score |
|||
| 4.0 | -0.2075 | 7.5467 | View | CSV | PDB |
| 4.5 | -0.2491 | 7.5467 | View | CSV | PDB |
| 5.0 | -0.2979 | 7.5467 | View | CSV | PDB |
| 5.5 | -0.3447 | 7.5467 | View | CSV | PDB |
| 6.0 | -0.379 | 7.5467 | View | CSV | PDB |
| 6.5 | -0.393 | 7.5467 | View | CSV | PDB |
| 7.0 | -0.387 | 7.5467 | View | CSV | PDB |
| 7.5 | -0.3675 | 7.5467 | View | CSV | PDB |
| 8.0 | -0.3399 | 7.5467 | View | CSV | PDB |
| 8.5 | -0.3057 | 7.5467 | View | CSV | PDB |
| 9.0 | -0.2639 | 7.5467 | 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