| Chain sequence(s) |
A: MAASRLDFGEVETFLDRHPELFEDYLMRKGKQEMVEKWLQRHSQGQGALGPRPSLAGTSSLAHSTCRGGSSVGGGTGPNGSAHSQPLPGGGDCGGVPLSPSWAGGSRGDGNLQRRASQKELRKSFARSKAIHVNRTYDEQVTSRAQEPLSSVRRRALLRKASSLPPTTAHILSALLESRVNLPRYPPTAIDYKCHLKKHNERQFFLELVKDISNDLDLTSLSYKILIFVCLMVDADRCSLFLVEGAAAGKKTLVSKFFDVHAGTPLLPCSSTENSNEVQVPWGKGIIGYVGEHGETVNIPDAYQDRRFNDEIDKLTGYKTKSLLCMPIRSSDGEIIGVAQAINKIPEGAPFTEDDEKVMQMYLPFCGIAISNAQLFAASRKEYERSRALLEVVNDLFEEQTDLEKIVKKIMHRAQTLLKCERCSVLLLEDIESPVVKFTKSFELMSPKCSADAENSFKESMEKSSYSDWLINNSIAELVASTGLPVNISDAYQDPRFDAEADQISGFHIRSVLCVPIWNSNHQIIGVAQVLNRLDGKPFDDADQRLFEAFVIFCGLGINNTIMYDQVKKSWAKQSVALDVLSYHATCSKAEVDKFKAANIPLVSELAIDDIHFDDFSLDVDAMITAALRMFMELGMVQKFKIDYETLCRWLLTVRKNYRMVLYHNWRHAFNVCQLMFAMLTTAGFQDILTEVEILAVIVGCLCHDLDHRGTNNAFQAKSGSALAQLYGTSATLEHHHFNHAVMILQSEGHNIFANLSSKEYSDLMQLLKQSILATDLTLYFERRTEFFELVSKGEYDWNIKNHRDIFRSMLMTACDLGAVTKPWEISRQVAELVTSEFFEQGDRERLELKLTPSAIFDRNRKDELPRLQLEWIDSICMPLYQALVKVNVKLKPMLDSVATNRSKWEELHQKRLLASTASSSPASVMVAKEDRN
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] (00:00:13)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:13)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with A chain(s) selected (00:00:13)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:13)
[INFO] PDB-Info: The input structure is partially or entirely disordered. Average score is
recommended for pH analysis. (00:00:20)
[INFO] FoldX: Starting FoldX energy minimization (00:00:20)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:27:01)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/c94aeaa0322a557/tmp/folded.pdb (00:27:01)
[INFO] Main: Simulation completed successfully. (00:43:43)
|
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 | 1.0664 | |
| 2 | A | A | 0.2440 | |
| 3 | A | A | -0.0353 | |
| 4 | S | A | -0.7312 | |
| 5 | R | A | -1.3985 | |
| 6 | L | A | -0.0359 | |
| 7 | D | A | -1.4848 | |
| 8 | F | A | 0.2525 | |
| 9 | G | A | -1.0176 | |
| 10 | E | A | -1.9940 | |
| 11 | V | A | -1.0856 | |
| 12 | E | A | -2.4676 | |
| 13 | T | A | -1.9350 | |
| 14 | F | A | -1.0616 | |
| 15 | L | A | 0.0000 | |
| 16 | D | A | -3.2263 | |
| 17 | R | A | -2.9550 | |
| 18 | H | A | -2.1548 | |
| 19 | P | A | -2.2004 | |
| 20 | E | A | -2.6056 | |
| 21 | L | A | -1.1898 | |
| 22 | F | A | -1.1743 | |
| 23 | E | A | -2.0760 | |
| 24 | D | A | -2.1927 | |
| 25 | Y | A | -1.0857 | |
| 26 | L | A | -1.0147 | |
| 27 | M | A | -1.0764 | |
| 28 | R | A | -2.6418 | |
| 29 | K | A | -2.7916 | |
| 30 | G | A | -2.3280 | |
| 31 | K | A | -3.1227 | |
| 32 | Q | A | -2.9246 | |
| 33 | E | A | -2.7173 | |
| 34 | M | A | -1.4831 | |
| 35 | V | A | -0.8930 | |
| 36 | E | A | -2.3866 | |
| 37 | K | A | -2.3301 | |
| 38 | W | A | -0.5502 | |
| 39 | L | A | -0.6095 | |
| 40 | Q | A | -2.4052 | |
| 41 | R | A | -2.8902 | |
| 42 | H | A | -2.4055 | |
| 43 | S | A | -2.1771 | |
| 44 | Q | A | -2.7084 | |
| 45 | G | A | -2.2424 | |
| 46 | Q | A | -1.8304 | |
| 47 | G | A | -1.1198 | |
| 48 | A | A | 0.0685 | |
| 49 | L | A | 0.5899 | |
| 50 | G | A | -0.3606 | |
| 51 | P | A | -1.1075 | |
| 52 | R | A | -1.7867 | |
| 53 | P | A | -0.9819 | |
| 54 | S | A | -0.1240 | |
| 55 | L | A | 1.0326 | |
| 56 | A | A | 0.4507 | |
| 57 | G | A | -0.1720 | |
| 58 | T | A | -0.0870 | |
| 59 | S | A | -0.0366 | |
| 60 | S | A | 0.2510 | |
| 61 | L | A | 1.1725 | |
| 62 | A | A | 0.1918 | |
| 63 | H | A | -0.6942 | |
| 64 | S | A | -0.5471 | |
| 65 | T | A | -0.4728 | |
| 66 | C | A | -0.5254 | |
| 67 | R | A | -1.8506 | |
| 68 | G | A | -1.5584 | |
| 69 | G | A | -1.2335 | |
| 70 | S | A | -0.2420 | |
| 71 | S | A | 0.2202 | |
| 72 | V | A | 1.2919 | |
| 73 | G | A | -0.0424 | |
| 74 | G | A | -0.6017 | |
| 75 | G | A | -0.9362 | |
| 76 | T | A | -0.7356 | |
| 77 | G | A | -0.9791 | |
| 78 | P | A | -1.2501 | |
| 79 | N | A | -1.7635 | |
| 80 | G | A | -1.3335 | |
| 81 | S | A | -1.0371 | |
| 82 | A | A | -0.9576 | |
| 83 | H | A | -1.4917 | |
| 84 | S | A | -1.1741 | |
| 85 | Q | A | -1.3330 | |
| 86 | P | A | -0.2956 | |
| 87 | L | A | 0.9283 | |
| 88 | P | A | 0.0986 | |
| 89 | G | A | -0.8193 | |
| 90 | G | A | -1.3791 | |
| 91 | G | A | -1.5244 | |
| 92 | D | A | -2.0086 | |
| 93 | C | A | -0.4526 | |
| 94 | G | A | -0.4156 | |
| 95 | G | A | 0.2148 | |
| 96 | V | A | 1.7362 | |
| 97 | P | A | 1.1059 | |
| 98 | L | A | 1.6185 | |
| 99 | S | A | 0.3174 | |
| 100 | P | A | 0.1013 | |
| 101 | S | A | 0.2369 | |
| 102 | W | A | 0.8635 | |
| 103 | A | A | 0.2069 | |
| 104 | G | A | -0.4336 | |
| 105 | G | A | -1.0957 | |
| 106 | S | A | -1.5332 | |
| 107 | R | A | -2.7611 | |
| 108 | G | A | -2.7471 | |
| 109 | D | A | -2.8116 | |
| 110 | G | A | -2.0073 | |
| 111 | N | A | -1.8337 | |
| 112 | L | A | -0.7076 | |
| 113 | Q | A | -2.2266 | |
| 114 | R | A | -3.0550 | |
| 115 | R | A | -3.0019 | |
| 116 | A | A | -2.3301 | |
| 117 | S | A | -2.3785 | |
| 118 | Q | A | -3.1238 | |
| 119 | K | A | -3.5909 | |
| 120 | E | A | -3.1697 | |
| 121 | L | A | -1.9165 | |
| 122 | R | A | -3.2572 | |
| 123 | K | A | -3.4284 | |
| 124 | S | A | -1.9020 | |
| 125 | F | A | -0.5350 | |
| 126 | A | A | -1.5216 | |
| 127 | R | A | -2.1321 | |
| 128 | S | A | -1.3458 | |
| 129 | K | A | -1.3531 | |
| 130 | A | A | -0.2666 | |
| 131 | I | A | 0.9028 | |
| 132 | H | A | -0.1342 | |
| 133 | V | A | 0.5966 | |
| 134 | N | A | -1.1389 | |
| 135 | R | A | -2.1926 | |
| 136 | T | A | -0.8412 | |
| 137 | Y | A | -0.6418 | |
| 138 | D | A | -2.3566 | |
| 139 | E | A | -2.5754 | |
| 140 | Q | A | -1.5704 | |
| 141 | V | A | 0.5003 | |
| 142 | T | A | 0.0616 | |
| 143 | S | A | -0.9215 | |
| 144 | R | A | -2.4198 | |
| 145 | A | A | -1.9791 | |
| 146 | Q | A | -2.3686 | |
| 147 | E | A | -2.4127 | |
| 148 | P | A | -0.5946 | |
| 149 | L | A | 0.5885 | |
| 150 | S | A | -0.6248 | |
| 151 | S | A | -0.8552 | |
| 152 | V | A | 0.0930 | |
| 153 | R | A | -1.7714 | |
| 154 | R | A | -2.7309 | |
| 155 | R | A | -2.9312 | |
| 156 | A | A | -2.1198 | |
| 157 | L | A | -1.8494 | |
| 158 | L | A | -1.5843 | |
| 159 | R | A | -2.6926 | |
| 160 | K | A | -2.2555 | |
| 161 | A | A | -0.4459 | |
| 162 | S | A | -0.7997 | |
| 163 | S | A | -0.4717 | |
| 164 | L | A | 0.5521 | |
| 165 | P | A | 0.1835 | |
| 166 | P | A | 0.1884 | |
| 167 | T | A | 0.3601 | |
| 168 | T | A | 0.5536 | |
| 169 | A | A | 0.8230 | |
| 170 | H | A | 1.0171 | |
| 171 | I | A | 2.5804 | |
| 172 | L | A | 1.9931 | |
| 173 | S | A | 0.9265 | |
| 174 | A | A | 0.7724 | |
| 175 | L | A | 1.8026 | |
| 176 | L | A | 0.3414 | |
| 177 | E | A | -1.4337 | |
| 178 | S | A | -1.1633 | |
| 179 | R | A | -1.3826 | |
| 180 | V | A | 0.6740 | |
| 181 | N | A | -0.5570 | |
| 182 | L | A | 0.7686 | |
| 183 | P | A | -0.1738 | |
| 184 | R | A | -1.2225 | |
| 185 | Y | A | 0.3652 | |
| 186 | P | A | -0.1464 | |
| 187 | P | A | -0.4323 | |
| 188 | T | A | -0.1364 | |
| 189 | A | A | 0.1683 | |
| 190 | I | A | -0.0051 | |
| 191 | D | A | -1.2235 | |
| 192 | Y | A | -0.0222 | |
| 193 | K | A | 0.0000 | |
| 194 | C | A | -1.2652 | |
| 195 | H | A | -1.9774 | |
| 196 | L | A | 0.0000 | |
| 197 | K | A | -3.0338 | |
| 198 | K | A | -3.2415 | |
| 199 | H | A | -3.2790 | |
| 200 | N | A | -3.6852 | |
| 201 | E | A | -4.0741 | |
| 202 | R | A | -3.2380 | |
| 203 | Q | A | -2.1345 | |
| 204 | F | A | 0.0000 | |
| 205 | F | A | 0.0000 | |
| 206 | L | A | -0.7344 | |
| 207 | E | A | -1.2344 | |
| 208 | L | A | 0.0000 | |
| 209 | V | A | -0.7440 | |
| 210 | K | A | -2.1837 | |
| 211 | D | A | -2.0698 | |
| 212 | I | A | 0.0000 | |
| 213 | S | A | -1.3579 | |
| 214 | N | A | -2.1889 | |
| 215 | D | A | -1.5686 | |
| 216 | L | A | -0.5806 | |
| 217 | D | A | -1.5209 | |
| 218 | L | A | -0.8025 | |
| 219 | T | A | -0.4394 | |
| 220 | S | A | -0.2908 | |
| 221 | L | A | 0.0000 | |
| 222 | S | A | 0.0000 | |
| 223 | Y | A | 0.1938 | |
| 224 | K | A | -0.2747 | |
| 225 | I | A | 0.0000 | |
| 226 | L | A | 0.0000 | |
| 227 | I | A | 0.0000 | |
| 228 | F | A | 0.0000 | |
| 229 | V | A | 0.0000 | |
| 230 | C | A | 0.0000 | |
| 231 | L | A | -0.2254 | |
| 232 | M | A | 0.0000 | |
| 233 | V | A | 0.0000 | |
| 234 | D | A | -0.8236 | |
| 235 | A | A | 0.0000 | |
| 236 | D | A | -1.4111 | |
| 237 | R | A | -1.1005 | |
| 238 | C | A | 0.0000 | |
| 239 | S | A | 0.0000 | |
| 240 | L | A | 0.0000 | |
| 241 | F | A | 0.0000 | |
| 242 | L | A | -0.2532 | |
| 243 | V | A | -0.5162 | |
| 244 | E | A | -2.1403 | |
| 245 | G | A | -1.8762 | |
| 246 | A | A | -1.0210 | |
| 247 | A | A | -0.8257 | |
| 248 | A | A | -0.5444 | |
| 249 | G | A | -1.5309 | |
| 250 | K | A | -2.3891 | |
| 251 | K | A | -2.0594 | |
| 252 | T | A | -1.6194 | |
| 253 | L | A | 0.0000 | |
| 254 | V | A | 0.0000 | |
| 255 | S | A | 0.0000 | |
| 256 | K | A | -1.6047 | |
| 257 | F | A | -0.2819 | |
| 258 | F | A | -0.0334 | |
| 259 | D | A | -0.2790 | |
| 260 | V | A | 0.0000 | |
| 261 | H | A | -1.0195 | |
| 262 | A | A | -0.6586 | |
| 263 | G | A | -0.4738 | |
| 264 | T | A | -0.0575 | |
| 265 | P | A | 0.4427 | |
| 266 | L | A | 1.5745 | |
| 267 | L | A | 2.0030 | |
| 268 | P | A | 0.9882 | |
| 269 | C | A | 0.6492 | |
| 270 | S | A | -0.1439 | |
| 271 | S | A | -0.9675 | |
| 272 | T | A | -1.4698 | |
| 273 | E | A | -2.6601 | |
| 274 | N | A | -2.7732 | |
| 275 | S | A | -2.4486 | |
| 276 | N | A | -2.7204 | |
| 277 | E | A | -2.4901 | |
| 278 | V | A | -1.1607 | |
| 279 | Q | A | -1.6726 | |
| 280 | V | A | -0.8290 | |
| 281 | P | A | -1.1007 | |
| 282 | W | A | -1.3694 | |
| 283 | G | A | -1.4608 | |
| 284 | K | A | -1.7423 | |
| 285 | G | A | -1.2761 | |
| 286 | I | A | 0.0000 | |
| 287 | I | A | -0.2805 | |
| 288 | G | A | 0.0000 | |
| 289 | Y | A | -1.2607 | |
| 290 | V | A | 0.0000 | |
| 291 | G | A | 0.0000 | |
| 292 | E | A | -2.1606 | |
| 293 | H | A | -2.0479 | |
| 294 | G | A | -1.8883 | |
| 295 | E | A | -2.0438 | |
| 296 | T | A | -1.1847 | |
| 297 | V | A | 0.0000 | |
| 298 | N | A | -1.0325 | |
| 299 | I | A | 0.0000 | |
| 300 | P | A | -1.1919 | |
| 301 | D | A | -1.4713 | |
| 302 | A | A | 0.0000 | |
| 303 | Y | A | -1.1381 | |
| 304 | Q | A | -1.7878 | |
| 305 | D | A | -1.7578 | |
| 306 | R | A | -2.3532 | |
| 307 | R | A | -1.7125 | |
| 308 | F | A | -1.5416 | |
| 309 | N | A | -1.8544 | |
| 310 | D | A | -1.7084 | |
| 311 | E | A | -2.0296 | |
| 312 | I | A | -0.4228 | |
| 313 | D | A | 0.0000 | |
| 314 | K | A | -1.8555 | |
| 315 | L | A | 0.4130 | |
| 316 | T | A | -0.1645 | |
| 317 | G | A | -0.8866 | |
| 318 | Y | A | -0.8638 | |
| 319 | K | A | -2.0113 | |
| 320 | T | A | 0.0000 | |
| 321 | K | A | -2.3032 | |
| 322 | S | A | 0.0000 | |
| 323 | L | A | 0.0000 | |
| 324 | L | A | 0.0000 | |
| 325 | C | A | 0.0000 | |
| 326 | M | A | 0.0000 | |
| 327 | P | A | -1.0923 | |
| 328 | I | A | 0.0000 | |
| 329 | R | A | -1.5145 | |
| 330 | S | A | -1.3876 | |
| 331 | S | A | -1.2769 | |
| 332 | D | A | -2.5652 | |
| 333 | G | A | -2.2894 | |
| 334 | E | A | -2.6050 | |
| 335 | I | A | -1.3668 | |
| 336 | I | A | -0.4346 | |
| 337 | G | A | 0.0000 | |
| 338 | V | A | 0.0000 | |
| 339 | A | A | 0.0000 | |
| 340 | Q | A | -0.1508 | |
| 341 | A | A | 0.0000 | |
| 342 | I | A | 0.0000 | |
| 343 | N | A | -1.6724 | |
| 344 | K | A | -1.2443 | |
| 345 | I | A | -0.7443 | |
| 346 | P | A | -1.1158 | |
| 347 | E | A | -2.2380 | |
| 348 | G | A | -1.6857 | |
| 349 | A | A | -1.0691 | |
| 350 | P | A | -1.1830 | |
| 351 | F | A | 0.0000 | |
| 352 | T | A | -2.0173 | |
| 353 | E | A | -3.3304 | |
| 354 | D | A | -3.5099 | |
| 355 | D | A | 0.0000 | |
| 356 | E | A | -2.7796 | |
| 357 | K | A | -3.1919 | |
| 358 | V | A | -1.6085 | |
| 359 | M | A | 0.0000 | |
| 360 | Q | A | -1.7516 | |
| 361 | M | A | -0.3935 | |
| 362 | Y | A | 0.0000 | |
| 363 | L | A | 0.0000 | |
| 364 | P | A | 0.1688 | |
| 365 | F | A | 0.8632 | |
| 366 | C | A | 0.0000 | |
| 367 | G | A | 0.0000 | |
| 368 | I | A | 0.7519 | |
| 369 | A | A | 0.0000 | |
| 370 | I | A | 0.0000 | |
| 371 | S | A | 0.1036 | |
| 372 | N | A | -0.6957 | |
| 373 | A | A | 0.0000 | |
| 374 | Q | A | -0.4404 | |
| 375 | L | A | 0.6584 | |
| 376 | F | A | -0.1669 | |
| 377 | A | A | -0.7410 | |
| 378 | A | A | -0.8421 | |
| 379 | S | A | -1.1986 | |
| 380 | R | A | -2.0824 | |
| 381 | K | A | -3.3706 | |
| 382 | E | A | -3.4457 | |
| 383 | Y | A | -2.1723 | |
| 384 | E | A | -3.4988 | |
| 385 | R | A | -2.8179 | |
| 386 | S | A | -2.1076 | |
| 387 | R | A | -2.6556 | |
| 388 | A | A | -1.6322 | |
| 389 | L | A | -0.5813 | |
| 390 | L | A | -0.3457 | |
| 391 | E | A | -1.5433 | |
| 392 | V | A | 0.0000 | |
| 393 | V | A | -0.0268 | |
| 394 | N | A | -1.1727 | |
| 395 | D | A | -1.2503 | |
| 396 | L | A | 0.0000 | |
| 397 | F | A | 0.3407 | |
| 398 | E | A | -1.5276 | |
| 399 | E | A | -1.5952 | |
| 400 | Q | A | -1.4156 | |
| 401 | T | A | -1.8589 | |
| 402 | D | A | -2.2709 | |
| 403 | L | A | -1.9299 | |
| 404 | E | A | -2.8966 | |
| 405 | K | A | -3.1395 | |
| 406 | I | A | 0.0000 | |
| 407 | V | A | 0.0000 | |
| 408 | K | A | -2.8077 | |
| 409 | K | A | -2.1411 | |
| 410 | I | A | 0.0000 | |
| 411 | M | A | 0.0000 | |
| 412 | H | A | -1.9538 | |
| 413 | R | A | -1.9302 | |
| 414 | A | A | 0.0000 | |
| 415 | Q | A | -1.2966 | |
| 416 | T | A | -1.1928 | |
| 417 | L | A | -0.8521 | |
| 418 | L | A | 0.0000 | |
| 419 | K | A | -2.1464 | |
| 420 | C | A | 0.0000 | |
| 421 | E | A | -1.0948 | |
| 422 | R | A | -0.8236 | |
| 423 | C | A | 0.0000 | |
| 424 | S | A | -0.8549 | |
| 425 | V | A | 0.0000 | |
| 426 | L | A | 0.0000 | |
| 427 | L | A | 0.0000 | |
| 428 | L | A | -1.5277 | |
| 429 | E | A | -2.8232 | |
| 430 | D | A | -2.5346 | |
| 431 | I | A | -1.2250 | |
| 432 | E | A | -2.0060 | |
| 433 | S | A | -1.1477 | |
| 434 | P | A | -0.0803 | |
| 435 | V | A | 0.7543 | |
| 436 | V | A | -0.3634 | |
| 437 | K | A | -1.6468 | |
| 438 | F | A | -1.5793 | |
| 439 | T | A | -1.6658 | |
| 440 | K | A | -1.8178 | |
| 441 | S | A | -1.2958 | |
| 442 | F | A | 0.0000 | |
| 443 | E | A | -1.9504 | |
| 444 | L | A | -1.0676 | |
| 445 | M | A | -0.4935 | |
| 446 | S | A | 0.0000 | |
| 447 | P | A | -0.9751 | |
| 448 | K | A | -1.9248 | |
| 449 | C | A | -1.3140 | |
| 450 | S | A | -1.6754 | |
| 451 | A | A | -1.8910 | |
| 452 | D | A | -2.7216 | |
| 453 | A | A | -1.9789 | |
| 454 | E | A | -2.8638 | |
| 455 | N | A | -2.4500 | |
| 456 | S | A | -1.2788 | |
| 457 | F | A | -0.0368 | |
| 458 | K | A | -2.1315 | |
| 459 | E | A | -2.2725 | |
| 460 | S | A | -1.3542 | |
| 461 | M | A | -1.0080 | |
| 462 | E | A | -2.4986 | |
| 463 | K | A | -2.3436 | |
| 464 | S | A | -1.5863 | |
| 465 | S | A | -0.9330 | |
| 466 | Y | A | -0.1779 | |
| 467 | S | A | -0.9178 | |
| 468 | D | A | -1.0732 | |
| 469 | W | A | 0.6049 | |
| 470 | L | A | 0.3786 | |
| 471 | I | A | -0.2459 | |
| 472 | N | A | 0.0000 | |
| 473 | N | A | -0.9527 | |
| 474 | S | A | -1.0219 | |
| 475 | I | A | 0.0000 | |
| 476 | A | A | 0.0000 | |
| 477 | E | A | -0.9322 | |
| 478 | L | A | -0.2028 | |
| 479 | V | A | 0.0000 | |
| 480 | A | A | 0.0000 | |
| 481 | S | A | 0.1239 | |
| 482 | T | A | 0.2742 | |
| 483 | G | A | 0.5214 | |
| 484 | L | A | 1.4320 | |
| 485 | P | A | 0.2256 | |
| 486 | V | A | 0.0000 | |
| 487 | N | A | -1.1386 | |
| 488 | I | A | 0.0000 | |
| 489 | S | A | -1.5707 | |
| 490 | D | A | -1.7440 | |
| 491 | A | A | 0.0000 | |
| 492 | Y | A | -0.9348 | |
| 493 | Q | A | -1.5909 | |
| 494 | D | A | -1.4863 | |
| 495 | P | A | -1.3372 | |
| 496 | R | A | -1.7601 | |
| 497 | F | A | 0.0000 | |
| 498 | D | A | -2.3453 | |
| 499 | A | A | -1.8072 | |
| 500 | E | A | -2.0372 | |
| 501 | A | A | -0.8682 | |
| 502 | D | A | 0.0000 | |
| 503 | Q | A | -1.2496 | |
| 504 | I | A | 0.9721 | |
| 505 | S | A | 0.3764 | |
| 506 | G | A | -0.3638 | |
| 507 | F | A | -0.4565 | |
| 508 | H | A | -1.0903 | |
| 509 | I | A | 0.0000 | |
| 510 | R | A | -1.7122 | |
| 511 | S | A | 0.0000 | |
| 512 | V | A | 0.0000 | |
| 513 | L | A | 0.0000 | |
| 514 | C | A | 0.0000 | |
| 515 | V | A | 0.0000 | |
| 516 | P | A | 0.0000 | |
| 517 | I | A | 0.0000 | |
| 518 | W | A | -0.0509 | |
| 519 | N | A | -0.7246 | |
| 520 | S | A | -1.0722 | |
| 521 | N | A | -1.9229 | |
| 522 | H | A | -1.8538 | |
| 523 | Q | A | -1.3939 | |
| 524 | I | A | -0.5949 | |
| 525 | I | A | 0.0000 | |
| 526 | G | A | 0.0000 | |
| 527 | V | A | 0.0000 | |
| 528 | A | A | 0.0000 | |
| 529 | Q | A | 0.0000 | |
| 530 | V | A | 0.0000 | |
| 531 | L | A | 0.0000 | |
| 532 | N | A | 0.0000 | |
| 533 | R | A | -2.0131 | |
| 534 | L | A | -1.9102 | |
| 535 | D | A | -2.7400 | |
| 536 | G | A | -2.2657 | |
| 537 | K | A | -2.9386 | |
| 538 | P | A | -2.3085 | |
| 539 | F | A | 0.0000 | |
| 540 | D | A | -3.0271 | |
| 541 | D | A | -3.1827 | |
| 542 | A | A | -2.2051 | |
| 543 | D | A | -2.2660 | |
| 544 | Q | A | -2.5089 | |
| 545 | R | A | -2.9309 | |
| 546 | L | A | 0.0000 | |
| 547 | F | A | 0.0000 | |
| 548 | E | A | -1.1332 | |
| 549 | A | A | -0.3287 | |
| 550 | F | A | 0.0000 | |
| 551 | V | A | 0.0000 | |
| 552 | I | A | 1.5046 | |
| 553 | F | A | 1.5377 | |
| 554 | C | A | 0.0000 | |
| 555 | G | A | 0.0000 | |
| 556 | L | A | 0.8643 | |
| 557 | G | A | 0.0000 | |
| 558 | I | A | 0.0000 | |
| 559 | N | A | -0.1502 | |
| 560 | N | A | -0.8640 | |
| 561 | T | A | 0.0000 | |
| 562 | I | A | -0.4069 | |
| 563 | M | A | -0.4240 | |
| 564 | Y | A | -0.9897 | |
| 565 | D | A | -1.9978 | |
| 566 | Q | A | -1.8689 | |
| 567 | V | A | -0.8874 | |
| 568 | K | A | -2.4604 | |
| 569 | K | A | -3.0063 | |
| 570 | S | A | -1.6928 | |
| 571 | W | A | -0.6878 | |
| 572 | A | A | -1.0181 | |
| 573 | K | A | -1.7906 | |
| 574 | Q | A | -0.9906 | |
| 575 | S | A | 0.2056 | |
| 576 | V | A | 1.3750 | |
| 577 | A | A | 1.1559 | |
| 578 | L | A | 1.6180 | |
| 579 | D | A | 0.4750 | |
| 580 | V | A | 2.1929 | |
| 581 | L | A | 2.3944 | |
| 582 | S | A | 1.2165 | |
| 583 | Y | A | 1.4604 | |
| 584 | H | A | 0.1847 | |
| 585 | A | A | -0.0662 | |
| 586 | T | A | -0.3030 | |
| 587 | C | A | -1.0032 | |
| 588 | S | A | -1.3765 | |
| 589 | K | A | -2.6392 | |
| 590 | A | A | -2.2078 | |
| 591 | E | A | -2.5612 | |
| 592 | V | A | 0.0000 | |
| 593 | D | A | -3.3560 | |
| 594 | K | A | -3.1137 | |
| 595 | F | A | 0.0000 | |
| 596 | K | A | -2.3759 | |
| 597 | A | A | -1.6079 | |
| 598 | A | A | -1.4150 | |
| 599 | N | A | -1.2968 | |
| 600 | I | A | -0.4103 | |
| 601 | P | A | -0.2040 | |
| 602 | L | A | 0.2768 | |
| 603 | V | A | 0.0000 | |
| 604 | S | A | -0.8906 | |
| 605 | E | A | -1.3938 | |
| 606 | L | A | -0.7090 | |
| 607 | A | A | -0.9659 | |
| 608 | I | A | 0.0000 | |
| 609 | D | A | -1.1986 | |
| 610 | D | A | -1.4190 | |
| 611 | I | A | -0.7408 | |
| 612 | H | A | -0.9223 | |
| 613 | F | A | 0.0000 | |
| 614 | D | A | -0.9353 | |
| 615 | D | A | 0.0000 | |
| 616 | F | A | -0.1438 | |
| 617 | S | A | -0.4311 | |
| 618 | L | A | -0.8269 | |
| 619 | D | A | -1.7735 | |
| 620 | V | A | -0.9257 | |
| 621 | D | A | -1.3799 | |
| 622 | A | A | -0.8871 | |
| 623 | M | A | 0.0000 | |
| 624 | I | A | 0.0000 | |
| 625 | T | A | -0.3669 | |
| 626 | A | A | 0.0000 | |
| 627 | A | A | 0.0000 | |
| 628 | L | A | 0.0000 | |
| 629 | R | A | -0.1785 | |
| 630 | M | A | 0.0000 | |
| 631 | F | A | 0.0000 | |
| 632 | M | A | -0.5655 | |
| 633 | E | A | -0.9051 | |
| 634 | L | A | 0.0000 | |
| 635 | G | A | -1.3917 | |
| 636 | M | A | 0.0000 | |
| 637 | V | A | -1.5748 | |
| 638 | Q | A | -2.4228 | |
| 639 | K | A | -2.2946 | |
| 640 | F | A | 0.0000 | |
| 641 | K | A | -3.1251 | |
| 642 | I | A | 0.0000 | |
| 643 | D | A | -2.6178 | |
| 644 | Y | A | -1.4203 | |
| 645 | E | A | -1.7200 | |
| 646 | T | A | -1.3830 | |
| 647 | L | A | 0.0000 | |
| 648 | C | A | 0.0000 | |
| 649 | R | A | -1.3183 | |
| 650 | W | A | 0.0000 | |
| 651 | L | A | 0.0000 | |
| 652 | L | A | 0.0000 | |
| 653 | T | A | 0.0000 | |
| 654 | V | A | 0.0000 | |
| 655 | R | A | -1.5786 | |
| 656 | K | A | -1.9269 | |
| 657 | N | A | -1.4171 | |
| 658 | Y | A | 0.0000 | |
| 659 | R | A | -1.7585 | |
| 660 | M | A | 0.0761 | |
| 661 | V | A | 0.2541 | |
| 662 | L | A | 0.7604 | |
| 663 | Y | A | 0.5240 | |
| 664 | H | A | -0.1826 | |
| 665 | N | A | -0.7356 | |
| 666 | W | A | 0.0000 | |
| 667 | R | A | -0.4761 | |
| 668 | H | A | 0.0000 | |
| 669 | A | A | 0.0000 | |
| 670 | F | A | 0.0000 | |
| 671 | N | A | 0.0000 | |
| 672 | V | A | 0.0000 | |
| 673 | C | A | 0.0000 | |
| 674 | Q | A | 0.0000 | |
| 675 | L | A | 0.0000 | |
| 676 | M | A | 0.0000 | |
| 677 | F | A | 0.0000 | |
| 678 | A | A | 0.0000 | |
| 679 | M | A | 0.0000 | |
| 680 | L | A | 0.0000 | |
| 681 | T | A | -0.8627 | |
| 682 | T | A | -0.7712 | |
| 683 | A | A | 0.0000 | |
| 684 | G | A | -1.0544 | |
| 685 | F | A | 0.0000 | |
| 686 | Q | A | -1.4158 | |
| 687 | D | A | -1.9395 | |
| 688 | I | A | -0.5914 | |
| 689 | L | A | 0.0000 | |
| 690 | T | A | -0.7552 | |
| 691 | E | A | -1.4178 | |
| 692 | V | A | -0.5842 | |
| 693 | E | A | 0.0000 | |
| 694 | I | A | 0.0000 | |
| 695 | L | A | 0.0000 | |
| 696 | A | A | 0.0000 | |
| 697 | V | A | 0.0000 | |
| 698 | I | A | 0.0000 | |
| 699 | V | A | 0.0000 | |
| 700 | G | A | 0.0000 | |
| 701 | C | A | 0.0000 | |
| 702 | L | A | 0.0000 | |
| 703 | C | A | 0.0000 | |
| 704 | H | A | 0.0000 | |
| 705 | D | A | 0.0000 | |
| 706 | L | A | 0.0000 | |
| 707 | D | A | 0.0000 | |
| 708 | H | A | 0.0000 | |
| 709 | R | A | -1.0222 | |
| 710 | G | A | -0.5272 | |
| 711 | T | A | 0.0000 | |
| 712 | N | A | -0.5130 | |
| 713 | N | A | -0.7054 | |
| 714 | A | A | -0.6443 | |
| 715 | F | A | 0.0000 | |
| 716 | Q | A | 0.0000 | |
| 717 | A | A | -1.3104 | |
| 718 | K | A | -1.7779 | |
| 719 | S | A | -1.3374 | |
| 720 | G | A | -1.3255 | |
| 721 | S | A | -0.6549 | |
| 722 | A | A | -0.0733 | |
| 723 | L | A | 0.0000 | |
| 724 | A | A | -0.5131 | |
| 725 | Q | A | -0.5388 | |
| 726 | L | A | 1.0094 | |
| 727 | Y | A | 0.4495 | |
| 728 | G | A | -0.2056 | |
| 729 | T | A | -0.5094 | |
| 730 | S | A | -0.3338 | |
| 731 | A | A | -0.2291 | |
| 732 | T | A | 0.0000 | |
| 733 | L | A | 0.0000 | |
| 734 | E | A | -0.4827 | |
| 735 | H | A | -0.3736 | |
| 736 | H | A | -0.1379 | |
| 737 | H | A | 0.0000 | |
| 738 | F | A | -0.2724 | |
| 739 | N | A | -0.5179 | |
| 740 | H | A | -0.2958 | |
| 741 | A | A | 0.0000 | |
| 742 | V | A | 0.0494 | |
| 743 | M | A | -0.0471 | |
| 744 | I | A | 0.0000 | |
| 745 | L | A | 0.0000 | |
| 746 | Q | A | -1.4880 | |
| 747 | S | A | -1.6144 | |
| 748 | E | A | -2.2565 | |
| 749 | G | A | -1.6432 | |
| 750 | H | A | 0.0000 | |
| 751 | N | A | -1.2863 | |
| 752 | I | A | 0.0000 | |
| 753 | F | A | 0.0000 | |
| 754 | A | A | -1.2022 | |
| 755 | N | A | -1.9669 | |
| 756 | L | A | -1.2609 | |
| 757 | S | A | -1.3138 | |
| 758 | S | A | -1.5023 | |
| 759 | K | A | -2.3773 | |
| 760 | E | A | -2.0684 | |
| 761 | Y | A | -1.2293 | |
| 762 | S | A | -1.4892 | |
| 763 | D | A | -1.7723 | |
| 764 | L | A | 0.0000 | |
| 765 | M | A | -0.8634 | |
| 766 | Q | A | -1.4660 | |
| 767 | L | A | -0.6958 | |
| 768 | L | A | 0.0000 | |
| 769 | K | A | -0.9324 | |
| 770 | Q | A | -0.7133 | |
| 771 | S | A | 0.0000 | |
| 772 | I | A | 0.0000 | |
| 773 | L | A | -0.0545 | |
| 774 | A | A | 0.0000 | |
| 775 | T | A | 0.0317 | |
| 776 | D | A | 0.1284 | |
| 777 | L | A | 0.4210 | |
| 778 | T | A | 0.1180 | |
| 779 | L | A | -0.0185 | |
| 780 | Y | A | 0.0000 | |
| 781 | F | A | 0.1637 | |
| 782 | E | A | -1.5244 | |
| 783 | R | A | -1.1990 | |
| 784 | R | A | -1.0722 | |
| 785 | T | A | -1.3709 | |
| 786 | E | A | -1.9948 | |
| 787 | F | A | 0.0000 | |
| 788 | F | A | -1.6390 | |
| 789 | E | A | -2.8706 | |
| 790 | L | A | -2.3176 | |
| 791 | V | A | 0.0000 | |
| 792 | S | A | -2.3187 | |
| 793 | K | A | -2.9779 | |
| 794 | G | A | -2.6224 | |
| 795 | E | A | -2.9599 | |
| 796 | Y | A | -1.5256 | |
| 797 | D | A | -1.3684 | |
| 798 | W | A | -0.6402 | |
| 799 | N | A | -1.3168 | |
| 800 | I | A | -0.6519 | |
| 801 | K | A | -2.0151 | |
| 802 | N | A | -1.6419 | |
| 803 | H | A | -1.3711 | |
| 804 | R | A | -1.0740 | |
| 805 | D | A | -0.9431 | |
| 806 | I | A | 0.0000 | |
| 807 | F | A | 0.0000 | |
| 808 | R | A | 0.0000 | |
| 809 | S | A | 0.0000 | |
| 810 | M | A | 0.0000 | |
| 811 | L | A | 0.0000 | |
| 812 | M | A | 0.0000 | |
| 813 | T | A | 0.0000 | |
| 814 | A | A | 0.0000 | |
| 815 | C | A | 0.0000 | |
| 816 | D | A | -0.1840 | |
| 817 | L | A | 0.1053 | |
| 818 | G | A | 0.0000 | |
| 819 | A | A | -0.2570 | |
| 820 | V | A | 0.0000 | |
| 821 | T | A | 0.0000 | |
| 822 | K | A | 0.0000 | |
| 823 | P | A | -0.8902 | |
| 824 | W | A | -1.3898 | |
| 825 | E | A | -2.3653 | |
| 826 | I | A | 0.0000 | |
| 827 | S | A | 0.0000 | |
| 828 | R | A | -2.1160 | |
| 829 | Q | A | -1.8923 | |
| 830 | V | A | 0.0000 | |
| 831 | A | A | 0.0000 | |
| 832 | E | A | -1.1177 | |
| 833 | L | A | 0.2395 | |
| 834 | V | A | 0.5287 | |
| 835 | T | A | 0.0000 | |
| 836 | S | A | -0.2682 | |
| 837 | E | A | 0.0000 | |
| 838 | F | A | -0.0041 | |
| 839 | F | A | 0.0000 | |
| 840 | E | A | -1.5305 | |
| 841 | Q | A | 0.0000 | |
| 842 | G | A | 0.0000 | |
| 843 | D | A | -1.7453 | |
| 844 | R | A | -1.7811 | |
| 845 | E | A | 0.0000 | |
| 846 | R | A | -2.4302 | |
| 847 | L | A | -0.8666 | |
| 848 | E | A | -2.0821 | |
| 849 | L | A | -1.7523 | |
| 850 | K | A | -2.1418 | |
| 851 | L | A | -1.1668 | |
| 852 | T | A | -0.5831 | |
| 853 | P | A | -0.7917 | |
| 854 | S | A | -0.1906 | |
| 855 | A | A | -0.5947 | |
| 856 | I | A | -0.1240 | |
| 857 | F | A | -0.6736 | |
| 858 | D | A | -1.9231 | |
| 859 | R | A | -2.8803 | |
| 860 | N | A | -2.9650 | |
| 861 | R | A | -3.1509 | |
| 862 | K | A | -3.3399 | |
| 863 | D | A | -3.4468 | |
| 864 | E | A | -2.4185 | |
| 865 | L | A | 0.0000 | |
| 866 | P | A | 0.0000 | |
| 867 | R | A | -1.6520 | |
| 868 | L | A | -1.1443 | |
| 869 | Q | A | -1.2126 | |
| 870 | L | A | 0.0000 | |
| 871 | E | A | -2.2489 | |
| 872 | W | A | -1.0334 | |
| 873 | I | A | 0.0000 | |
| 874 | D | A | -1.6346 | |
| 875 | S | A | -1.0192 | |
| 876 | I | A | -0.1362 | |
| 877 | C | A | 0.0000 | |
| 878 | M | A | -0.5815 | |
| 879 | P | A | -0.5230 | |
| 880 | L | A | 0.0000 | |
| 881 | Y | A | 0.0000 | |
| 882 | Q | A | -1.3850 | |
| 883 | A | A | 0.0000 | |
| 884 | L | A | 0.0000 | |
| 885 | V | A | -0.9120 | |
| 886 | K | A | -1.6591 | |
| 887 | V | A | -0.4727 | |
| 888 | N | A | -0.4441 | |
| 889 | V | A | 0.1569 | |
| 890 | K | A | -1.3638 | |
| 891 | L | A | 0.0000 | |
| 892 | K | A | -1.5377 | |
| 893 | P | A | -1.0120 | |
| 894 | M | A | 0.0000 | |
| 895 | L | A | -0.7428 | |
| 896 | D | A | -1.4611 | |
| 897 | S | A | -0.7954 | |
| 898 | V | A | 0.0000 | |
| 899 | A | A | -0.7734 | |
| 900 | T | A | -0.7566 | |
| 901 | N | A | 0.0000 | |
| 902 | R | A | -1.6401 | |
| 903 | S | A | -1.3784 | |
| 904 | K | A | -1.8373 | |
| 905 | W | A | 0.0000 | |
| 906 | E | A | -2.4213 | |
| 907 | E | A | -3.1246 | |
| 908 | L | A | -2.0537 | |
| 909 | H | A | -2.0669 | |
| 910 | Q | A | -1.9989 | |
| 911 | K | A | -2.2190 | |
| 912 | R | A | -1.7782 | |
| 913 | L | A | 0.3006 | |
| 914 | L | A | 0.7940 | |
| 915 | A | A | -0.0041 | |
| 916 | S | A | -0.0619 | |
| 917 | T | A | 0.2887 | |
| 918 | A | A | 0.1457 | |
| 919 | S | A | -0.2632 | |
| 920 | S | A | -0.5295 | |
| 921 | S | A | -0.5389 | |
| 922 | P | A | -0.2145 | |
| 923 | A | A | 0.3606 | |
| 924 | S | A | 1.0914 | |
| 925 | V | A | 2.6953 | |
| 926 | M | A | 2.5165 | |
| 927 | V | A | 2.1181 | |
| 928 | A | A | -0.1015 | |
| 929 | K | A | -2.6860 | |
| 930 | E | A | -3.9349 | |
| 931 | D | A | -4.3791 | |
| 932 | R | A | -4.0560 | |
| 933 | N | A | -2.9101 |
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 | -0.7517 | 4.1637 | View | CSV | PDB |
| 4.5 | -0.8309 | 4.1637 | View | CSV | PDB |
| 5.0 | -0.9288 | 4.1637 | View | CSV | PDB |
| 5.5 | -1.0268 | 4.1637 | View | CSV | PDB |
| 6.0 | -1.1049 | 4.1637 | View | CSV | PDB |
| 6.5 | -1.1478 | 4.1637 | View | CSV | PDB |
| 7.0 | -1.1543 | 4.1637 | View | CSV | PDB |
| 7.5 | -1.136 | 4.1637 | View | CSV | PDB |
| 8.0 | -1.1042 | 4.1637 | View | CSV | PDB |
| 8.5 | -1.0626 | 4.1637 | View | CSV | PDB |
| 9.0 | -1.0107 | 4.1637 | 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