| Chain sequence(s) |
A: HANHAHGASYYSAAGNNSFSNAAAASFSQAAQTAHFNNAATAYNNAANAATSCYANHAFHGCNNSFSTFYGSSYCKYHNFNSSYGSFANCCKFSNHNYWNCFFSHSNYNHGFHKNQIDPQQQSASYKQDPQQFSFSFIYSYASSYPFIDPTFFFYFADSYYGIYQQCSQQDDIQACFFPKFQQFQKQIQTASFQSYYDYYYIHHFGQQAYTTKYYVQYAKKFPKADFQTIKQYVQKTTTVIVYNANGSYYSATVYAYSYTDWICSNIDKISSKYSSCCKKSPYSTYYCIYNVSNDSVPKDVSPYSKSFADDPNVSSKYKKDKQGFYDTFAYSYARRNPDYANIYYMRYVSRYEKAYEESHKKPDPYSHYKGVFKEYDALVERYRPVVERLCELYRRLGPEGFTVYLARDFTRKVPRVPVDVLVRFSRRLGELGELCCGLPEEQRLPCFLDYAYLVLTELCVLHLRDPVDPRVEEVCTSSPWDMLEGFLALEPSDDYEPEPFDESKFTFGPEIHELSPEERFEVRLRFLVELLRTYPNVSDEKLDKILELFDKFIEECCSSKDKEKCFKELNPKFIKKVKELCS
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 globular. Max score is recommended for pH analysis. (00:00:03)
[INFO] FoldX: Starting FoldX energy minimization (00:00:03)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:11:56)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/8bf4c6bd8e660d3/tmp/folded.pdb (00:11:56)
[INFO] Main: Simulation completed successfully. (00:19:16)
|
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 | H | A | -1.4569 | |
| 2 | A | A | -1.3183 | |
| 3 | N | A | -2.0538 | |
| 4 | H | A | -2.0818 | |
| 5 | A | A | -1.0623 | |
| 6 | H | A | -1.1628 | |
| 7 | G | A | -0.4283 | |
| 8 | A | A | -0.0915 | |
| 9 | S | A | -0.2120 | |
| 10 | Y | A | 0.0000 | |
| 11 | Y | A | -0.2561 | |
| 12 | S | A | -0.1584 | |
| 13 | A | A | -0.1331 | |
| 14 | A | A | -0.4882 | |
| 15 | G | A | -1.1433 | |
| 16 | N | A | -2.1097 | |
| 17 | N | A | -2.1160 | |
| 18 | S | A | 0.0000 | |
| 19 | F | A | 0.0000 | |
| 20 | S | A | 0.0000 | |
| 21 | N | A | -0.6902 | |
| 22 | A | A | 0.0000 | |
| 23 | A | A | 0.0000 | |
| 24 | A | A | 0.0000 | |
| 25 | A | A | 0.0000 | |
| 26 | S | A | 0.0000 | |
| 27 | F | A | 0.0000 | |
| 28 | S | A | 0.0000 | |
| 29 | Q | A | 0.0000 | |
| 30 | A | A | 0.0000 | |
| 31 | A | A | 0.0000 | |
| 32 | Q | A | 0.0000 | |
| 33 | T | A | -0.4464 | |
| 34 | A | A | 0.0000 | |
| 35 | H | A | -1.2479 | |
| 36 | F | A | -0.6163 | |
| 37 | N | A | -1.4845 | |
| 38 | N | A | -1.2956 | |
| 39 | A | A | 0.0000 | |
| 40 | A | A | -0.9704 | |
| 41 | T | A | -0.6678 | |
| 42 | A | A | 0.0000 | |
| 43 | Y | A | -0.8709 | |
| 44 | N | A | -1.5396 | |
| 45 | N | A | -1.1811 | |
| 46 | A | A | 0.0000 | |
| 47 | A | A | -1.4867 | |
| 48 | N | A | -1.6827 | |
| 49 | A | A | -0.6596 | |
| 50 | A | A | 0.0000 | |
| 51 | T | A | -0.4799 | |
| 52 | S | A | -0.3124 | |
| 53 | C | A | 0.0000 | |
| 54 | Y | A | 0.5647 | |
| 55 | A | A | 0.0730 | |
| 56 | N | A | -0.7986 | |
| 57 | H | A | -1.1704 | |
| 58 | A | A | -0.5184 | |
| 59 | F | A | 0.0392 | |
| 60 | H | A | -1.0655 | |
| 61 | G | A | -1.1419 | |
| 62 | C | A | 0.0000 | |
| 63 | N | A | -2.0721 | |
| 64 | N | A | -1.7642 | |
| 65 | S | A | -1.0571 | |
| 66 | F | A | -0.4770 | |
| 67 | S | A | 0.0000 | |
| 68 | T | A | -0.7894 | |
| 69 | F | A | -0.3946 | |
| 70 | Y | A | 0.0000 | |
| 71 | G | A | 0.0000 | |
| 72 | S | A | -0.3946 | |
| 73 | S | A | -0.3091 | |
| 74 | Y | A | 0.0000 | |
| 75 | C | A | -1.0601 | |
| 76 | K | A | -1.3775 | |
| 77 | Y | A | -0.1290 | |
| 78 | H | A | -0.9542 | |
| 79 | N | A | -1.8907 | |
| 80 | F | A | 0.0000 | |
| 81 | N | A | -2.0378 | |
| 82 | S | A | -1.3657 | |
| 83 | S | A | -1.1842 | |
| 84 | Y | A | 0.0000 | |
| 85 | G | A | -1.0237 | |
| 86 | S | A | -0.8089 | |
| 87 | F | A | -0.5535 | |
| 88 | A | A | -1.3675 | |
| 89 | N | A | -1.3206 | |
| 90 | C | A | 0.0000 | |
| 91 | C | A | -1.0949 | |
| 92 | K | A | -1.7414 | |
| 93 | F | A | -0.9007 | |
| 94 | S | A | -1.1727 | |
| 95 | N | A | -1.9056 | |
| 96 | H | A | -1.9904 | |
| 97 | N | A | -1.5084 | |
| 98 | Y | A | 0.0000 | |
| 99 | W | A | 0.0000 | |
| 100 | N | A | -1.6012 | |
| 101 | C | A | -0.8304 | |
| 102 | F | A | 0.0000 | |
| 103 | F | A | 0.0000 | |
| 104 | S | A | -0.9639 | |
| 105 | H | A | -0.8286 | |
| 106 | S | A | 0.0000 | |
| 107 | N | A | -1.9761 | |
| 108 | Y | A | -1.4149 | |
| 109 | N | A | -1.7720 | |
| 110 | H | A | -1.3697 | |
| 111 | G | A | -1.2971 | |
| 112 | F | A | -1.0784 | |
| 113 | H | A | -2.3034 | |
| 114 | K | A | -2.9904 | |
| 115 | N | A | -2.9323 | |
| 116 | Q | A | -2.4374 | |
| 117 | I | A | -1.6583 | |
| 118 | D | A | -2.0892 | |
| 119 | P | A | 0.0000 | |
| 120 | Q | A | -2.2228 | |
| 121 | Q | A | -2.1096 | |
| 122 | Q | A | -1.7005 | |
| 123 | S | A | 0.0000 | |
| 124 | A | A | -1.7673 | |
| 125 | S | A | -1.8607 | |
| 126 | Y | A | -2.0536 | |
| 127 | K | A | -2.7075 | |
| 128 | Q | A | -2.6492 | |
| 129 | D | A | -2.4930 | |
| 130 | P | A | -2.1822 | |
| 131 | Q | A | -2.5634 | |
| 132 | Q | A | -2.1962 | |
| 133 | F | A | 0.0000 | |
| 134 | S | A | -1.0592 | |
| 135 | F | A | 0.0000 | |
| 136 | S | A | -0.4456 | |
| 137 | F | A | 0.0000 | |
| 138 | I | A | 0.0000 | |
| 139 | Y | A | 0.1422 | |
| 140 | S | A | 0.0396 | |
| 141 | Y | A | 0.0000 | |
| 142 | A | A | 0.0000 | |
| 143 | S | A | 0.0000 | |
| 144 | S | A | 0.0000 | |
| 145 | Y | A | -0.1719 | |
| 146 | P | A | 0.0000 | |
| 147 | F | A | 0.0000 | |
| 148 | I | A | 0.0000 | |
| 149 | D | A | 0.0000 | |
| 150 | P | A | 0.0000 | |
| 151 | T | A | 0.0000 | |
| 152 | F | A | 0.3814 | |
| 153 | F | A | 0.0000 | |
| 154 | F | A | 0.1219 | |
| 155 | Y | A | 0.0671 | |
| 156 | F | A | 0.0000 | |
| 157 | A | A | 0.0000 | |
| 158 | D | A | -0.9588 | |
| 159 | S | A | -0.6006 | |
| 160 | Y | A | 0.0000 | |
| 161 | Y | A | -0.6405 | |
| 162 | G | A | -1.0362 | |
| 163 | I | A | 0.0000 | |
| 164 | Y | A | 0.0000 | |
| 165 | Q | A | -2.1140 | |
| 166 | Q | A | -2.1512 | |
| 167 | C | A | 0.0000 | |
| 168 | S | A | -2.4496 | |
| 169 | Q | A | -2.7639 | |
| 170 | Q | A | -3.2817 | |
| 171 | D | A | -3.3035 | |
| 172 | D | A | -2.9991 | |
| 173 | I | A | -2.2740 | |
| 174 | Q | A | -1.7860 | |
| 175 | A | A | -0.9988 | |
| 176 | C | A | -1.1322 | |
| 177 | F | A | 0.0000 | |
| 178 | F | A | 0.2515 | |
| 179 | P | A | -0.7208 | |
| 180 | K | A | -1.3323 | |
| 181 | F | A | -0.8895 | |
| 182 | Q | A | -1.9190 | |
| 183 | Q | A | -2.4315 | |
| 184 | F | A | 0.0000 | |
| 185 | Q | A | -1.8609 | |
| 186 | K | A | -2.6453 | |
| 187 | Q | A | -1.6456 | |
| 188 | I | A | 0.0000 | |
| 189 | Q | A | -1.0840 | |
| 190 | T | A | -0.7839 | |
| 191 | A | A | 0.0000 | |
| 192 | S | A | 0.0000 | |
| 193 | F | A | 0.0000 | |
| 194 | Q | A | -0.4596 | |
| 195 | S | A | 0.0000 | |
| 196 | Y | A | 0.0000 | |
| 197 | Y | A | 0.0000 | |
| 198 | D | A | -0.3026 | |
| 199 | Y | A | -0.2179 | |
| 200 | Y | A | 0.0000 | |
| 201 | Y | A | 0.0000 | |
| 202 | I | A | 0.0000 | |
| 203 | H | A | -0.9518 | |
| 204 | H | A | -0.7027 | |
| 205 | F | A | -0.5072 | |
| 206 | G | A | -0.9282 | |
| 207 | Q | A | -1.3958 | |
| 208 | Q | A | -1.6433 | |
| 209 | A | A | -0.8043 | |
| 210 | Y | A | 0.0000 | |
| 211 | T | A | -0.9732 | |
| 212 | T | A | 0.0000 | |
| 213 | K | A | -0.3819 | |
| 214 | Y | A | -0.3210 | |
| 215 | Y | A | 0.0000 | |
| 216 | V | A | 0.0000 | |
| 217 | Q | A | -0.5679 | |
| 218 | Y | A | 0.0000 | |
| 219 | A | A | 0.0000 | |
| 220 | K | A | -1.2075 | |
| 221 | K | A | 0.0000 | |
| 222 | F | A | 0.0000 | |
| 223 | P | A | 0.0000 | |
| 224 | K | A | -2.1907 | |
| 225 | A | A | 0.0000 | |
| 226 | D | A | -2.2554 | |
| 227 | F | A | -1.3756 | |
| 228 | Q | A | -2.0468 | |
| 229 | T | A | 0.0000 | |
| 230 | I | A | 0.0000 | |
| 231 | K | A | -1.9588 | |
| 232 | Q | A | -1.9322 | |
| 233 | Y | A | 0.0000 | |
| 234 | V | A | 0.0000 | |
| 235 | Q | A | -1.9398 | |
| 236 | K | A | -1.4050 | |
| 237 | T | A | 0.0000 | |
| 238 | T | A | -0.6181 | |
| 239 | T | A | -0.2642 | |
| 240 | V | A | 0.0000 | |
| 241 | I | A | 0.3284 | |
| 242 | V | A | 0.3059 | |
| 243 | Y | A | 0.5797 | |
| 244 | N | A | 0.0000 | |
| 245 | A | A | 0.0000 | |
| 246 | N | A | -0.5063 | |
| 247 | G | A | 0.0000 | |
| 248 | S | A | 0.0000 | |
| 249 | Y | A | 0.0000 | |
| 250 | Y | A | 0.0000 | |
| 251 | S | A | 0.0000 | |
| 252 | A | A | 0.0000 | |
| 253 | T | A | 0.0000 | |
| 254 | V | A | 0.7049 | |
| 255 | Y | A | 0.4667 | |
| 256 | A | A | 0.0000 | |
| 257 | Y | A | -0.1026 | |
| 258 | S | A | -0.4579 | |
| 259 | Y | A | 0.0000 | |
| 260 | T | A | 0.0000 | |
| 261 | D | A | -1.6915 | |
| 262 | W | A | -0.9138 | |
| 263 | I | A | 0.0000 | |
| 264 | C | A | -0.8584 | |
| 265 | S | A | -0.9734 | |
| 266 | N | A | -1.3428 | |
| 267 | I | A | -1.2861 | |
| 268 | D | A | -2.6405 | |
| 269 | K | A | -3.1530 | |
| 270 | I | A | 0.0000 | |
| 271 | S | A | 0.0000 | |
| 272 | S | A | -1.2866 | |
| 273 | K | A | -1.2885 | |
| 274 | Y | A | 0.0000 | |
| 275 | S | A | -1.0830 | |
| 276 | S | A | -1.1374 | |
| 277 | C | A | 0.0000 | |
| 278 | C | A | -1.5330 | |
| 279 | K | A | -2.4899 | |
| 280 | K | A | -2.4701 | |
| 281 | S | A | -1.2340 | |
| 282 | P | A | -0.9168 | |
| 283 | Y | A | -0.1458 | |
| 284 | S | A | -0.6154 | |
| 285 | T | A | 0.0000 | |
| 286 | Y | A | 0.0000 | |
| 287 | Y | A | 0.0000 | |
| 288 | C | A | -0.2577 | |
| 289 | I | A | 0.0000 | |
| 290 | Y | A | -0.0282 | |
| 291 | N | A | -1.0745 | |
| 292 | V | A | -0.8262 | |
| 293 | S | A | -1.1829 | |
| 294 | N | A | -1.7173 | |
| 295 | D | A | -1.3051 | |
| 296 | S | A | -0.8894 | |
| 297 | V | A | -0.9111 | |
| 298 | P | A | -1.5834 | |
| 299 | K | A | -2.3939 | |
| 300 | D | A | -2.3991 | |
| 301 | V | A | -1.1073 | |
| 302 | S | A | -0.9233 | |
| 303 | P | A | -0.8507 | |
| 304 | Y | A | -0.8194 | |
| 305 | S | A | -1.7679 | |
| 306 | K | A | -2.8901 | |
| 307 | S | A | -1.9014 | |
| 308 | F | A | 0.0000 | |
| 309 | A | A | 0.0000 | |
| 310 | D | A | -3.4822 | |
| 311 | D | A | -2.8580 | |
| 312 | P | A | -2.2519 | |
| 313 | N | A | -2.1279 | |
| 314 | V | A | 0.0000 | |
| 315 | S | A | -1.8852 | |
| 316 | S | A | -2.4347 | |
| 317 | K | A | -3.0093 | |
| 318 | Y | A | 0.0000 | |
| 319 | K | A | -3.6515 | |
| 320 | K | A | -3.7857 | |
| 321 | D | A | -3.3986 | |
| 322 | K | A | -3.2907 | |
| 323 | Q | A | -2.2098 | |
| 324 | G | A | -1.5353 | |
| 325 | F | A | 0.0000 | |
| 326 | Y | A | 0.0000 | |
| 327 | D | A | 0.0000 | |
| 328 | T | A | -0.3106 | |
| 329 | F | A | 0.0000 | |
| 330 | A | A | 0.0000 | |
| 331 | Y | A | 0.0000 | |
| 332 | S | A | 0.0000 | |
| 333 | Y | A | 0.0000 | |
| 334 | A | A | 0.0000 | |
| 335 | R | A | -0.9784 | |
| 336 | R | A | -1.0553 | |
| 337 | N | A | -0.9699 | |
| 338 | P | A | -1.3775 | |
| 339 | D | A | -2.2697 | |
| 340 | Y | A | -1.0488 | |
| 341 | A | A | 0.0000 | |
| 342 | N | A | -0.5679 | |
| 343 | I | A | 0.0000 | |
| 344 | Y | A | 0.0000 | |
| 345 | Y | A | 0.0000 | |
| 346 | M | A | 0.0000 | |
| 347 | R | A | -0.8291 | |
| 348 | Y | A | 0.0000 | |
| 349 | V | A | 0.0000 | |
| 350 | S | A | -1.3907 | |
| 351 | R | A | -2.0105 | |
| 352 | Y | A | 0.0000 | |
| 353 | E | A | -2.1039 | |
| 354 | K | A | -2.7663 | |
| 355 | A | A | -1.8993 | |
| 356 | Y | A | 0.0000 | |
| 357 | E | A | -2.5978 | |
| 358 | E | A | -2.7999 | |
| 359 | S | A | 0.0000 | |
| 360 | H | A | -2.5119 | |
| 361 | K | A | -3.0446 | |
| 362 | K | A | -2.8644 | |
| 363 | P | A | -2.0818 | |
| 364 | D | A | -2.5931 | |
| 365 | P | A | -2.3223 | |
| 366 | Y | A | -1.9469 | |
| 367 | S | A | -1.7647 | |
| 368 | H | A | -1.8916 | |
| 369 | Y | A | 0.0000 | |
| 370 | K | A | -2.7492 | |
| 371 | G | A | -2.0748 | |
| 372 | V | A | -2.0195 | |
| 373 | F | A | 0.0000 | |
| 374 | K | A | -3.2302 | |
| 375 | E | A | -3.0515 | |
| 376 | Y | A | 0.0000 | |
| 377 | D | A | -2.8089 | |
| 378 | A | A | -2.1122 | |
| 379 | L | A | -1.5000 | |
| 380 | V | A | 0.0000 | |
| 381 | E | A | -2.3471 | |
| 382 | R | A | -2.3893 | |
| 383 | Y | A | 0.0000 | |
| 384 | R | A | -2.4852 | |
| 385 | P | A | -1.5894 | |
| 386 | V | A | -0.9870 | |
| 387 | V | A | 0.0000 | |
| 388 | E | A | -2.6531 | |
| 389 | R | A | -2.8209 | |
| 390 | L | A | -1.8315 | |
| 391 | C | A | 0.0000 | |
| 392 | E | A | -3.5369 | |
| 393 | L | A | -2.2919 | |
| 394 | Y | A | -2.5693 | |
| 395 | R | A | -3.5614 | |
| 396 | R | A | -2.9119 | |
| 397 | L | A | -1.5061 | |
| 398 | G | A | -1.9231 | |
| 399 | P | A | -1.9487 | |
| 400 | E | A | -2.1229 | |
| 401 | G | A | -1.2151 | |
| 402 | F | A | 0.0000 | |
| 403 | T | A | 0.0000 | |
| 404 | V | A | 0.0000 | |
| 405 | Y | A | -0.2953 | |
| 406 | L | A | 0.0000 | |
| 407 | A | A | 0.0000 | |
| 408 | R | A | 0.0000 | |
| 409 | D | A | -1.4533 | |
| 410 | F | A | 0.0000 | |
| 411 | T | A | 0.0000 | |
| 412 | R | A | -1.5606 | |
| 413 | K | A | -1.4121 | |
| 414 | V | A | 0.0000 | |
| 415 | P | A | 0.0000 | |
| 416 | R | A | -0.6189 | |
| 417 | V | A | 0.0000 | |
| 418 | P | A | -0.6060 | |
| 419 | V | A | 0.0000 | |
| 420 | D | A | -1.6666 | |
| 421 | V | A | 0.0000 | |
| 422 | L | A | 0.0000 | |
| 423 | V | A | 0.0000 | |
| 424 | R | A | -1.9622 | |
| 425 | F | A | 0.0000 | |
| 426 | S | A | 0.0000 | |
| 427 | R | A | -1.6602 | |
| 428 | R | A | -1.0949 | |
| 429 | L | A | 0.0000 | |
| 430 | G | A | 0.0000 | |
| 431 | E | A | -1.2275 | |
| 432 | L | A | 0.0000 | |
| 433 | G | A | 0.0000 | |
| 434 | E | A | -1.7427 | |
| 435 | L | A | -0.0146 | |
| 436 | C | A | 0.0000 | |
| 437 | C | A | 0.0000 | |
| 438 | G | A | -1.0241 | |
| 439 | L | A | -0.8856 | |
| 440 | P | A | -1.7992 | |
| 441 | E | A | -3.2674 | |
| 442 | E | A | -3.3769 | |
| 443 | Q | A | -2.4028 | |
| 444 | R | A | -1.7628 | |
| 445 | L | A | 0.0000 | |
| 446 | P | A | -1.1678 | |
| 447 | C | A | -0.3066 | |
| 448 | F | A | 0.0000 | |
| 449 | L | A | 0.0000 | |
| 450 | D | A | -0.2289 | |
| 451 | Y | A | 0.1421 | |
| 452 | A | A | -0.0632 | |
| 453 | Y | A | 0.0000 | |
| 454 | L | A | -0.0111 | |
| 455 | V | A | 0.0000 | |
| 456 | L | A | 0.0000 | |
| 457 | T | A | 0.0000 | |
| 458 | E | A | -0.3924 | |
| 459 | L | A | 0.0000 | |
| 460 | C | A | 0.0000 | |
| 461 | V | A | 0.0000 | |
| 462 | L | A | -1.0663 | |
| 463 | H | A | 0.0000 | |
| 464 | L | A | -1.3808 | |
| 465 | R | A | -2.6409 | |
| 466 | D | A | -2.5888 | |
| 467 | P | A | -1.4266 | |
| 468 | V | A | -0.3797 | |
| 469 | D | A | 0.0000 | |
| 470 | P | A | -1.0697 | |
| 471 | R | A | -1.2367 | |
| 472 | V | A | 0.0000 | |
| 473 | E | A | -1.9693 | |
| 474 | E | A | -2.4047 | |
| 475 | V | A | -1.3583 | |
| 476 | C | A | 0.0000 | |
| 477 | T | A | -1.0729 | |
| 478 | S | A | -1.0584 | |
| 479 | S | A | -0.7332 | |
| 480 | P | A | -0.3775 | |
| 481 | W | A | 0.0000 | |
| 482 | D | A | -1.1306 | |
| 483 | M | A | 0.0000 | |
| 484 | L | A | 0.0000 | |
| 485 | E | A | -0.2787 | |
| 486 | G | A | -0.4000 | |
| 487 | F | A | 0.0000 | |
| 488 | L | A | 0.6040 | |
| 489 | A | A | 0.0486 | |
| 490 | L | A | -0.5859 | |
| 491 | E | A | -2.1889 | |
| 492 | P | A | -2.3269 | |
| 493 | S | A | -2.4146 | |
| 494 | D | A | -3.4457 | |
| 495 | D | A | -3.0861 | |
| 496 | Y | A | -2.5168 | |
| 497 | E | A | -2.8536 | |
| 498 | P | A | -1.8814 | |
| 499 | E | A | -1.8464 | |
| 500 | P | A | -1.2434 | |
| 501 | F | A | -1.1687 | |
| 502 | D | A | -2.0917 | |
| 503 | E | A | -2.2555 | |
| 504 | S | A | -1.7107 | |
| 505 | K | A | -2.1584 | |
| 506 | F | A | 0.0000 | |
| 507 | T | A | -1.0793 | |
| 508 | F | A | -0.6718 | |
| 509 | G | A | -1.6278 | |
| 510 | P | A | -2.6026 | |
| 511 | E | A | -2.8549 | |
| 512 | I | A | 0.0000 | |
| 513 | H | A | -2.5751 | |
| 514 | E | A | -2.7298 | |
| 515 | L | A | -1.8697 | |
| 516 | S | A | -1.5324 | |
| 517 | P | A | -1.7717 | |
| 518 | E | A | -2.6468 | |
| 519 | E | A | -2.0332 | |
| 520 | R | A | -2.0735 | |
| 521 | F | A | -1.8573 | |
| 522 | E | A | -2.0894 | |
| 523 | V | A | -0.9850 | |
| 524 | R | A | -1.2802 | |
| 525 | L | A | 0.0000 | |
| 526 | R | A | -1.5735 | |
| 527 | F | A | 0.0000 | |
| 528 | L | A | 0.0000 | |
| 529 | V | A | 0.0000 | |
| 530 | E | A | -1.0125 | |
| 531 | L | A | 0.0000 | |
| 532 | L | A | 0.0000 | |
| 533 | R | A | -1.0525 | |
| 534 | T | A | 0.0000 | |
| 535 | Y | A | -0.7770 | |
| 536 | P | A | -1.3505 | |
| 537 | N | A | -1.7053 | |
| 538 | V | A | 0.0000 | |
| 539 | S | A | -1.8952 | |
| 540 | D | A | -2.9407 | |
| 541 | E | A | -3.4157 | |
| 542 | K | A | -2.8181 | |
| 543 | L | A | 0.0000 | |
| 544 | D | A | -3.3865 | |
| 545 | K | A | -3.2093 | |
| 546 | I | A | 0.0000 | |
| 547 | L | A | 0.0000 | |
| 548 | E | A | -2.9575 | |
| 549 | L | A | -2.0476 | |
| 550 | F | A | 0.0000 | |
| 551 | D | A | -2.7320 | |
| 552 | K | A | -3.4039 | |
| 553 | F | A | 0.0000 | |
| 554 | I | A | 0.0000 | |
| 555 | E | A | -3.5239 | |
| 556 | E | A | -3.3599 | |
| 557 | C | A | 0.0000 | |
| 558 | C | A | -2.8032 | |
| 559 | S | A | -2.0018 | |
| 560 | S | A | -2.5739 | |
| 561 | K | A | -2.6472 | |
| 562 | D | A | -2.7844 | |
| 563 | K | A | -3.8747 | |
| 564 | E | A | -4.2599 | |
| 565 | K | A | -4.1332 | |
| 566 | C | A | -3.2434 | |
| 567 | F | A | 0.0000 | |
| 568 | K | A | -3.7127 | |
| 569 | E | A | -3.3150 | |
| 570 | L | A | -2.1239 | |
| 571 | N | A | 0.0000 | |
| 572 | P | A | -2.2896 | |
| 573 | K | A | -2.9894 | |
| 574 | F | A | 0.0000 | |
| 575 | I | A | 0.0000 | |
| 576 | K | A | -3.5265 | |
| 577 | K | A | -3.1704 | |
| 578 | V | A | 0.0000 | |
| 579 | K | A | -2.5026 | |
| 580 | E | A | -2.9800 | |
| 581 | L | A | -2.0073 | |
| 582 | C | A | -1.1632 | |
| 583 | S | A | -1.1832 |
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 | -0.9978 | 2.8215 | View | CSV | PDB |
| 4.5 | -1.0688 | 2.8226 | View | CSV | PDB |
| 5.0 | -1.1531 | 2.8262 | View | CSV | PDB |
| 5.5 | -1.2328 | 2.836 | View | CSV | PDB |
| 6.0 | -1.2902 | 2.8592 | View | CSV | PDB |
| 6.5 | -1.3141 | 2.9 | View | CSV | PDB |
| 7.0 | -1.3068 | 2.9543 | View | CSV | PDB |
| 7.5 | -1.2795 | 3.0152 | View | CSV | PDB |
| 8.0 | -1.2409 | 3.0785 | View | CSV | PDB |
| 8.5 | -1.193 | 3.1425 | View | CSV | PDB |
| 9.0 | -1.1354 | 3.2061 | 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