| Chain sequence(s) |
A: MKHMPRKKYSCDFETTTKVEDCRVWAYGYMNIEDHSEYKIGNSLDEFMAWVLKVQADLYFHNLKFDGAFIINWLERNGFKWSADGLPNTYNTEISRMGQWYMIDICLGYKGKRKIHTVIYDSLKKLPFPVKKIAKDFKLTVLKGDIDYHKERPVGYKITPEEYAYIKNDIQIIAEALLIQFKQGLDRMTAGSDSLKGFKDIITTKKFKKVFPTLSLGLDKEVRYAYRGGFTWLNDRFKEKEIGEGMVFDVNSLYPAQMYSRLLPYGEPIRFEGKYVWDEDYPLHIQHIRCEFELKEGYIPTIQIKRSRDYKGNEYLKSSGGEIADLWLSNVDLELMKEHYDLYNVEYISGLKFKATTGLFKDFIDKWTYIKTTSEGAIKQLAKLMLNSLYGKFASNPDVTGKVPYLKENGALGFRLGEEETKDPVYTPMGVFITAWARYTTITAAQACYDRIIYCDTDSIHLTGTEIPDVIKDIVDPKKLGYWAHESTFKRAKYLRQKTYIQDIYMKEVDGKLVEGSPDDYTDIKFSVKCAGMTDKIKKEVTFENFKVGFSRKMKPKPVQVPGGVVLVDDTFTIK
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 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 (00:10:31)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/1050ed63cc075ac/tmp/folded.pdb (00:10:31)
[INFO] Main: Simulation completed successfully. (00:13:17)
|
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 | 0.1171 | |
| 2 | K | A | -1.4133 | |
| 3 | H | A | -1.1572 | |
| 4 | M | A | -0.1395 | |
| 5 | P | A | -0.7916 | |
| 6 | R | A | -1.2525 | |
| 7 | K | A | -1.9887 | |
| 8 | K | A | -1.5110 | |
| 9 | Y | A | 0.0000 | |
| 10 | S | A | 0.0000 | |
| 11 | C | A | 0.0000 | |
| 12 | D | A | -0.5678 | |
| 13 | F | A | 0.0000 | |
| 14 | E | A | -0.3332 | |
| 15 | T | A | -0.2995 | |
| 16 | T | A | 0.0000 | |
| 17 | T | A | -0.6993 | |
| 18 | K | A | -1.3620 | |
| 19 | V | A | -0.1167 | |
| 20 | E | A | -1.8555 | |
| 21 | D | A | -1.3091 | |
| 22 | C | A | 0.0000 | |
| 23 | R | A | -0.5520 | |
| 24 | V | A | 0.0000 | |
| 25 | W | A | 0.0000 | |
| 26 | A | A | 0.0000 | |
| 27 | Y | A | 0.0000 | |
| 28 | G | A | 0.0000 | |
| 29 | Y | A | 0.0000 | |
| 30 | M | A | 0.0000 | |
| 31 | N | A | 0.0000 | |
| 32 | I | A | 0.0000 | |
| 33 | E | A | -3.0181 | |
| 34 | D | A | -2.6670 | |
| 35 | H | A | -1.6903 | |
| 36 | S | A | -1.4076 | |
| 37 | E | A | -1.7014 | |
| 38 | Y | A | -1.0586 | |
| 39 | K | A | -1.3979 | |
| 40 | I | A | -0.5871 | |
| 41 | G | A | -1.0649 | |
| 42 | N | A | -1.2392 | |
| 43 | S | A | -1.2965 | |
| 44 | L | A | -1.4153 | |
| 45 | D | A | -2.6901 | |
| 46 | E | A | -2.6883 | |
| 47 | F | A | 0.0000 | |
| 48 | M | A | 0.0000 | |
| 49 | A | A | -1.2531 | |
| 50 | W | A | -0.9858 | |
| 51 | V | A | 0.0000 | |
| 52 | L | A | -0.5626 | |
| 53 | K | A | -1.5207 | |
| 54 | V | A | -1.0644 | |
| 55 | Q | A | -1.3129 | |
| 56 | A | A | 0.0000 | |
| 57 | D | A | -0.7934 | |
| 58 | L | A | 0.0000 | |
| 59 | Y | A | 0.0000 | |
| 60 | F | A | 0.0000 | |
| 61 | H | A | -0.5024 | |
| 62 | N | A | -0.9308 | |
| 63 | L | A | 0.0000 | |
| 64 | K | A | -0.9611 | |
| 65 | F | A | -0.2073 | |
| 66 | D | A | 0.0000 | |
| 67 | G | A | 0.0000 | |
| 68 | A | A | 0.0000 | |
| 69 | F | A | 0.0000 | |
| 70 | I | A | 0.0000 | |
| 71 | I | A | 0.0000 | |
| 72 | N | A | 0.0000 | |
| 73 | W | A | -1.0859 | |
| 74 | L | A | 0.0000 | |
| 75 | E | A | -1.6822 | |
| 76 | R | A | -2.5503 | |
| 77 | N | A | -2.4625 | |
| 78 | G | A | -2.0327 | |
| 79 | F | A | 0.0000 | |
| 80 | K | A | -2.1479 | |
| 81 | W | A | -0.8534 | |
| 82 | S | A | -0.9038 | |
| 83 | A | A | -0.8559 | |
| 84 | D | A | -1.5487 | |
| 85 | G | A | -0.8551 | |
| 86 | L | A | -0.0646 | |
| 87 | P | A | -0.4704 | |
| 88 | N | A | -1.3592 | |
| 89 | T | A | 0.0000 | |
| 90 | Y | A | 0.0000 | |
| 91 | N | A | -0.9567 | |
| 92 | T | A | -0.7258 | |
| 93 | E | A | -1.5269 | |
| 94 | I | A | 0.0000 | |
| 95 | S | A | -1.0107 | |
| 96 | R | A | -1.6454 | |
| 97 | M | A | -0.0361 | |
| 98 | G | A | -0.6334 | |
| 99 | Q | A | -1.0855 | |
| 100 | W | A | 0.0000 | |
| 101 | Y | A | -0.4304 | |
| 102 | M | A | -0.3864 | |
| 103 | I | A | 0.0000 | |
| 104 | D | A | -0.4603 | |
| 105 | I | A | 0.0000 | |
| 106 | C | A | 0.0000 | |
| 107 | L | A | -0.1323 | |
| 108 | G | A | -0.4730 | |
| 109 | Y | A | -1.0206 | |
| 110 | K | A | -2.6190 | |
| 111 | G | A | -2.4636 | |
| 112 | K | A | -3.1348 | |
| 113 | R | A | -3.2869 | |
| 114 | K | A | -1.7990 | |
| 115 | I | A | -1.0440 | |
| 116 | H | A | -0.7478 | |
| 117 | T | A | 0.0000 | |
| 118 | V | A | 0.0000 | |
| 119 | I | A | 0.0000 | |
| 120 | Y | A | 0.0060 | |
| 121 | D | A | 0.0000 | |
| 122 | S | A | 0.0000 | |
| 123 | L | A | -0.1040 | |
| 124 | K | A | -0.4521 | |
| 125 | K | A | 0.0000 | |
| 126 | L | A | 0.0000 | |
| 127 | P | A | -0.2343 | |
| 128 | F | A | -0.4052 | |
| 129 | P | A | -0.7909 | |
| 130 | V | A | -1.0359 | |
| 131 | K | A | -2.1389 | |
| 132 | K | A | -2.3812 | |
| 133 | I | A | 0.0000 | |
| 134 | A | A | 0.0000 | |
| 135 | K | A | -2.8823 | |
| 136 | D | A | -2.2415 | |
| 137 | F | A | 0.0000 | |
| 138 | K | A | -2.5001 | |
| 139 | L | A | -1.2122 | |
| 140 | T | A | -0.0746 | |
| 141 | V | A | 0.3241 | |
| 142 | L | A | -0.1417 | |
| 143 | K | A | -1.5196 | |
| 144 | G | A | -2.1546 | |
| 145 | D | A | -2.6939 | |
| 146 | I | A | 0.0000 | |
| 147 | D | A | -2.6729 | |
| 148 | Y | A | -1.3388 | |
| 149 | H | A | -2.1978 | |
| 150 | K | A | -2.6418 | |
| 151 | E | A | -2.6107 | |
| 152 | R | A | 0.0000 | |
| 153 | P | A | -0.2888 | |
| 154 | V | A | 0.8924 | |
| 155 | G | A | -0.1772 | |
| 156 | Y | A | -0.7807 | |
| 157 | K | A | -1.6511 | |
| 158 | I | A | 0.0000 | |
| 159 | T | A | -0.9766 | |
| 160 | P | A | -1.1074 | |
| 161 | E | A | -1.9269 | |
| 162 | E | A | 0.0000 | |
| 163 | Y | A | -0.4047 | |
| 164 | A | A | -0.4303 | |
| 165 | Y | A | -0.7150 | |
| 166 | I | A | 0.0000 | |
| 167 | K | A | -0.8156 | |
| 168 | N | A | 0.0405 | |
| 169 | D | A | -0.5174 | |
| 170 | I | A | 0.0000 | |
| 171 | Q | A | -0.5014 | |
| 172 | I | A | 0.0000 | |
| 173 | I | A | 0.0000 | |
| 174 | A | A | 0.0000 | |
| 175 | E | A | -0.6756 | |
| 176 | A | A | 0.0000 | |
| 177 | L | A | 0.0000 | |
| 178 | L | A | -0.9770 | |
| 179 | I | A | -0.1631 | |
| 180 | Q | A | 0.0000 | |
| 181 | F | A | -1.6660 | |
| 182 | K | A | -2.1752 | |
| 183 | Q | A | -1.4479 | |
| 184 | G | A | -1.7569 | |
| 185 | L | A | 0.0000 | |
| 186 | D | A | -2.9703 | |
| 187 | R | A | -2.6855 | |
| 188 | M | A | -0.9724 | |
| 189 | T | A | -0.7536 | |
| 190 | A | A | 0.0000 | |
| 191 | G | A | -0.6836 | |
| 192 | S | A | -1.0681 | |
| 193 | D | A | 0.0000 | |
| 194 | S | A | 0.0000 | |
| 195 | L | A | -0.8023 | |
| 196 | K | A | -1.8409 | |
| 197 | G | A | -1.0705 | |
| 198 | F | A | 0.0000 | |
| 199 | K | A | -2.1132 | |
| 200 | D | A | -1.9887 | |
| 201 | I | A | -1.1256 | |
| 202 | I | A | 0.0000 | |
| 203 | T | A | -2.0218 | |
| 204 | T | A | -2.5898 | |
| 205 | K | A | -3.4621 | |
| 206 | K | A | -3.4190 | |
| 207 | F | A | 0.0000 | |
| 208 | K | A | -3.5693 | |
| 209 | K | A | -3.6378 | |
| 210 | V | A | 0.0000 | |
| 211 | F | A | 0.0000 | |
| 212 | P | A | -1.4459 | |
| 213 | T | A | -1.1079 | |
| 214 | L | A | 0.0000 | |
| 215 | S | A | -0.4546 | |
| 216 | L | A | -0.6996 | |
| 217 | G | A | -0.5472 | |
| 218 | L | A | -0.5105 | |
| 219 | D | A | 0.0000 | |
| 220 | K | A | -0.9193 | |
| 221 | E | A | -0.4570 | |
| 222 | V | A | 0.0000 | |
| 223 | R | A | -0.3024 | |
| 224 | Y | A | 0.2493 | |
| 225 | A | A | 0.0000 | |
| 226 | Y | A | 0.3481 | |
| 227 | R | A | -0.2744 | |
| 228 | G | A | -0.4091 | |
| 229 | G | A | -0.3826 | |
| 230 | F | A | 0.0000 | |
| 231 | T | A | -0.8362 | |
| 232 | W | A | 0.0000 | |
| 233 | L | A | 0.0000 | |
| 234 | N | A | 0.0000 | |
| 235 | D | A | -3.3626 | |
| 236 | R | A | -3.1122 | |
| 237 | F | A | -2.9483 | |
| 238 | K | A | -3.8237 | |
| 239 | E | A | -4.0935 | |
| 240 | K | A | -4.2810 | |
| 241 | E | A | -3.4714 | |
| 242 | I | A | -2.2096 | |
| 243 | G | A | -2.0430 | |
| 244 | E | A | -2.0580 | |
| 245 | G | A | 0.0000 | |
| 246 | M | A | 0.0000 | |
| 247 | V | A | -0.5264 | |
| 248 | F | A | 0.0000 | |
| 249 | D | A | -1.0949 | |
| 250 | V | A | 0.0000 | |
| 251 | N | A | -0.9863 | |
| 252 | S | A | -0.7527 | |
| 253 | L | A | 0.0000 | |
| 254 | Y | A | -0.0563 | |
| 255 | P | A | 0.0000 | |
| 256 | A | A | 0.0000 | |
| 257 | Q | A | 0.0000 | |
| 258 | M | A | 0.0000 | |
| 259 | Y | A | -0.6019 | |
| 260 | S | A | -0.3908 | |
| 261 | R | A | -0.2614 | |
| 262 | L | A | 0.2351 | |
| 263 | L | A | 0.0000 | |
| 264 | P | A | 0.0000 | |
| 265 | Y | A | -0.4247 | |
| 266 | G | A | 0.0000 | |
| 267 | E | A | -2.0491 | |
| 268 | P | A | -0.8859 | |
| 269 | I | A | -0.3212 | |
| 270 | R | A | -1.8152 | |
| 271 | F | A | -1.3251 | |
| 272 | E | A | -2.1963 | |
| 273 | G | A | -1.4514 | |
| 274 | K | A | -1.5089 | |
| 275 | Y | A | -0.0778 | |
| 276 | V | A | 1.5174 | |
| 277 | W | A | 1.0479 | |
| 278 | D | A | -0.8508 | |
| 279 | E | A | -2.4577 | |
| 280 | D | A | -2.7665 | |
| 281 | Y | A | -1.1651 | |
| 282 | P | A | -0.8040 | |
| 283 | L | A | 0.0000 | |
| 284 | H | A | 0.0000 | |
| 285 | I | A | 0.0000 | |
| 286 | Q | A | 0.0000 | |
| 287 | H | A | -0.9383 | |
| 288 | I | A | 0.0000 | |
| 289 | R | A | -1.7027 | |
| 290 | C | A | 0.0000 | |
| 291 | E | A | -1.6381 | |
| 292 | F | A | 0.0000 | |
| 293 | E | A | -2.7765 | |
| 294 | L | A | -2.4278 | |
| 295 | K | A | -2.6558 | |
| 296 | E | A | -2.3457 | |
| 297 | G | A | -1.2355 | |
| 298 | Y | A | -0.9098 | |
| 299 | I | A | 0.0000 | |
| 300 | P | A | 0.0000 | |
| 301 | T | A | 0.0000 | |
| 302 | I | A | 0.0000 | |
| 303 | Q | A | -1.4686 | |
| 304 | I | A | -2.3881 | |
| 305 | K | A | -3.6792 | |
| 306 | R | A | -3.5746 | |
| 307 | S | A | -3.1829 | |
| 308 | R | A | -3.6375 | |
| 309 | D | A | -3.6371 | |
| 310 | Y | A | -3.1131 | |
| 311 | K | A | -3.7439 | |
| 312 | G | A | -3.4861 | |
| 313 | N | A | -2.7520 | |
| 314 | E | A | -2.7526 | |
| 315 | Y | A | -1.3596 | |
| 316 | L | A | -1.5707 | |
| 317 | K | A | -2.2970 | |
| 318 | S | A | -2.1551 | |
| 319 | S | A | 0.0000 | |
| 320 | G | A | -1.8821 | |
| 321 | G | A | -1.6240 | |
| 322 | E | A | -2.3967 | |
| 323 | I | A | -1.2217 | |
| 324 | A | A | 0.0000 | |
| 325 | D | A | -2.1987 | |
| 326 | L | A | 0.0000 | |
| 327 | W | A | -0.2226 | |
| 328 | L | A | 0.0000 | |
| 329 | S | A | 0.0000 | |
| 330 | N | A | -0.6510 | |
| 331 | V | A | 0.0000 | |
| 332 | D | A | 0.0000 | |
| 333 | L | A | 0.0000 | |
| 334 | E | A | -2.6632 | |
| 335 | L | A | 0.0000 | |
| 336 | M | A | 0.0000 | |
| 337 | K | A | -2.8399 | |
| 338 | E | A | -3.0003 | |
| 339 | H | A | 0.0000 | |
| 340 | Y | A | 0.0000 | |
| 341 | D | A | -2.2200 | |
| 342 | L | A | -1.0849 | |
| 343 | Y | A | -0.5030 | |
| 344 | N | A | -0.9845 | |
| 345 | V | A | -0.2799 | |
| 346 | E | A | -1.5384 | |
| 347 | Y | A | -1.0582 | |
| 348 | I | A | -0.8499 | |
| 349 | S | A | -1.3986 | |
| 350 | G | A | 0.0000 | |
| 351 | L | A | 0.0000 | |
| 352 | K | A | -0.5353 | |
| 353 | F | A | 0.0000 | |
| 354 | K | A | -1.3998 | |
| 355 | A | A | -0.6097 | |
| 356 | T | A | -0.0190 | |
| 357 | T | A | -0.2400 | |
| 358 | G | A | -0.8423 | |
| 359 | L | A | -0.4750 | |
| 360 | F | A | 0.0000 | |
| 361 | K | A | -2.5472 | |
| 362 | D | A | -2.7768 | |
| 363 | F | A | 0.0000 | |
| 364 | I | A | 0.0000 | |
| 365 | D | A | -2.4425 | |
| 366 | K | A | -1.8439 | |
| 367 | W | A | 0.0000 | |
| 368 | T | A | -0.6936 | |
| 369 | Y | A | 0.3594 | |
| 370 | I | A | -0.2651 | |
| 371 | K | A | -1.1092 | |
| 372 | T | A | -0.4029 | |
| 373 | T | A | -0.2607 | |
| 374 | S | A | -0.9108 | |
| 375 | E | A | -2.2497 | |
| 376 | G | A | -1.8233 | |
| 377 | A | A | 0.0000 | |
| 378 | I | A | -0.3077 | |
| 379 | K | A | -1.1481 | |
| 380 | Q | A | 0.0000 | |
| 381 | L | A | 0.0000 | |
| 382 | A | A | 0.0000 | |
| 383 | K | A | -1.1091 | |
| 384 | L | A | 0.0000 | |
| 385 | M | A | 0.0000 | |
| 386 | L | A | 0.0000 | |
| 387 | N | A | -1.1518 | |
| 388 | S | A | -0.6627 | |
| 389 | L | A | 0.0000 | |
| 390 | Y | A | -0.1655 | |
| 391 | G | A | -0.6362 | |
| 392 | K | A | -0.5139 | |
| 393 | F | A | 0.0000 | |
| 394 | A | A | 0.0000 | |
| 395 | S | A | -1.2874 | |
| 396 | N | A | -2.2585 | |
| 397 | P | A | 0.0000 | |
| 398 | D | A | -3.0285 | |
| 399 | V | A | -2.3379 | |
| 400 | T | A | 0.0000 | |
| 401 | G | A | -2.0183 | |
| 402 | K | A | -1.2445 | |
| 403 | V | A | -0.7309 | |
| 404 | P | A | 0.0000 | |
| 405 | Y | A | -0.2543 | |
| 406 | L | A | -0.7932 | |
| 407 | K | A | -1.6258 | |
| 408 | E | A | -2.6441 | |
| 409 | N | A | -2.3483 | |
| 410 | G | A | -1.6963 | |
| 411 | A | A | 0.0000 | |
| 412 | L | A | 0.0000 | |
| 413 | G | A | 0.0000 | |
| 414 | F | A | -0.4173 | |
| 415 | R | A | -1.6135 | |
| 416 | L | A | -1.1047 | |
| 417 | G | A | -1.9177 | |
| 418 | E | A | -3.1521 | |
| 419 | E | A | -3.5427 | |
| 420 | E | A | -3.5501 | |
| 421 | T | A | -3.0807 | |
| 422 | K | A | -3.2167 | |
| 423 | D | A | -2.8414 | |
| 424 | P | A | 0.0000 | |
| 425 | V | A | -0.7794 | |
| 426 | Y | A | 0.0000 | |
| 427 | T | A | 0.0000 | |
| 428 | P | A | 0.0000 | |
| 429 | M | A | 0.0000 | |
| 430 | G | A | 0.0000 | |
| 431 | V | A | 0.0000 | |
| 432 | F | A | 0.0000 | |
| 433 | I | A | 0.0000 | |
| 434 | T | A | 0.0000 | |
| 435 | A | A | 0.0000 | |
| 436 | W | A | 0.2885 | |
| 437 | A | A | 0.0000 | |
| 438 | R | A | 0.0000 | |
| 439 | Y | A | 0.2356 | |
| 440 | T | A | 0.1616 | |
| 441 | T | A | 0.0000 | |
| 442 | I | A | 0.0000 | |
| 443 | T | A | 0.0609 | |
| 444 | A | A | 0.0000 | |
| 445 | A | A | 0.0000 | |
| 446 | Q | A | -0.3377 | |
| 447 | A | A | -0.0072 | |
| 448 | C | A | 0.0000 | |
| 449 | Y | A | -0.7551 | |
| 450 | D | A | -1.8695 | |
| 451 | R | A | -1.1650 | |
| 452 | I | A | 0.0000 | |
| 453 | I | A | 0.0000 | |
| 454 | Y | A | 0.0000 | |
| 455 | C | A | 0.0000 | |
| 456 | D | A | -0.6521 | |
| 457 | T | A | -0.5069 | |
| 458 | D | A | -0.7719 | |
| 459 | S | A | -0.7435 | |
| 460 | I | A | 0.0000 | |
| 461 | H | A | 0.0000 | |
| 462 | L | A | 0.0000 | |
| 463 | T | A | -1.1367 | |
| 464 | G | A | -1.3227 | |
| 465 | T | A | -1.3612 | |
| 466 | E | A | -2.1324 | |
| 467 | I | A | -1.1962 | |
| 468 | P | A | 0.0000 | |
| 469 | D | A | -1.8244 | |
| 470 | V | A | 0.3463 | |
| 471 | I | A | 0.0000 | |
| 472 | K | A | -2.2359 | |
| 473 | D | A | -1.9812 | |
| 474 | I | A | -0.4346 | |
| 475 | V | A | -1.1183 | |
| 476 | D | A | -1.4060 | |
| 477 | P | A | -1.7892 | |
| 478 | K | A | -2.4397 | |
| 479 | K | A | -1.9849 | |
| 480 | L | A | -0.6746 | |
| 481 | G | A | -0.3379 | |
| 482 | Y | A | -0.5328 | |
| 483 | W | A | 0.0000 | |
| 484 | A | A | 0.0000 | |
| 485 | H | A | -1.3628 | |
| 486 | E | A | -2.0936 | |
| 487 | S | A | -1.2306 | |
| 488 | T | A | 0.0000 | |
| 489 | F | A | 0.0000 | |
| 490 | K | A | -1.8071 | |
| 491 | R | A | -1.9299 | |
| 492 | A | A | 0.0000 | |
| 493 | K | A | -2.2972 | |
| 494 | Y | A | 0.0000 | |
| 495 | L | A | 0.0000 | |
| 496 | R | A | -1.7500 | |
| 497 | Q | A | -1.4892 | |
| 498 | K | A | -1.4963 | |
| 499 | T | A | 0.0000 | |
| 500 | Y | A | 0.0000 | |
| 501 | I | A | 0.0000 | |
| 502 | Q | A | 0.0000 | |
| 503 | D | A | 0.0000 | |
| 504 | I | A | -0.6805 | |
| 505 | Y | A | 0.0000 | |
| 506 | M | A | 0.0000 | |
| 507 | K | A | -2.0655 | |
| 508 | E | A | -2.7241 | |
| 509 | V | A | -1.2960 | |
| 510 | D | A | -2.3147 | |
| 511 | G | A | -2.1789 | |
| 512 | K | A | -2.4404 | |
| 513 | L | A | -1.6394 | |
| 514 | V | A | -1.3230 | |
| 515 | E | A | -2.0222 | |
| 516 | G | A | 0.0000 | |
| 517 | S | A | -1.5229 | |
| 518 | P | A | -1.5886 | |
| 519 | D | A | -2.4889 | |
| 520 | D | A | -2.8506 | |
| 521 | Y | A | -1.3200 | |
| 522 | T | A | -1.0647 | |
| 523 | D | A | -1.5483 | |
| 524 | I | A | -0.4730 | |
| 525 | K | A | -0.7880 | |
| 526 | F | A | 0.0722 | |
| 527 | S | A | -0.2397 | |
| 528 | V | A | -1.0096 | |
| 529 | K | A | -1.5147 | |
| 530 | C | A | -1.1592 | |
| 531 | A | A | -0.6515 | |
| 532 | G | A | -0.8848 | |
| 533 | M | A | 0.0000 | |
| 534 | T | A | -1.9704 | |
| 535 | D | A | -3.5633 | |
| 536 | K | A | -3.6166 | |
| 537 | I | A | 0.0000 | |
| 538 | K | A | -3.0576 | |
| 539 | K | A | -3.4698 | |
| 540 | E | A | -2.9464 | |
| 541 | V | A | 0.0000 | |
| 542 | T | A | -1.3610 | |
| 543 | F | A | 0.0000 | |
| 544 | E | A | -2.3499 | |
| 545 | N | A | -1.5751 | |
| 546 | F | A | 0.0000 | |
| 547 | K | A | -1.9092 | |
| 548 | V | A | -0.4487 | |
| 549 | G | A | -0.7142 | |
| 550 | F | A | 0.0000 | |
| 551 | S | A | -0.9477 | |
| 552 | R | A | -2.1471 | |
| 553 | K | A | -2.7779 | |
| 554 | M | A | -2.3931 | |
| 555 | K | A | -2.4941 | |
| 556 | P | A | -1.3539 | |
| 557 | K | A | -1.3431 | |
| 558 | P | A | -0.3977 | |
| 559 | V | A | 0.2929 | |
| 560 | Q | A | -0.1502 | |
| 561 | V | A | 0.0000 | |
| 562 | P | A | -1.1036 | |
| 563 | G | A | -0.7028 | |
| 564 | G | A | 0.0000 | |
| 565 | V | A | 0.0000 | |
| 566 | V | A | 0.0000 | |
| 567 | L | A | 0.4132 | |
| 568 | V | A | -0.3919 | |
| 569 | D | A | -2.5202 | |
| 570 | D | A | -2.8044 | |
| 571 | T | A | -2.0487 | |
| 572 | F | A | -1.4523 | |
| 573 | T | A | -1.0899 | |
| 574 | I | A | 0.0000 | |
| 575 | K | A | -1.6488 |
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 | -0.9087 | 3.6941 | View | CSV | PDB |
| 4.5 | -0.9898 | 3.5561 | View | CSV | PDB |
| 5.0 | -1.0887 | 3.3795 | View | CSV | PDB |
| 5.5 | -1.1842 | 3.1874 | View | CSV | PDB |
| 6.0 | -1.253 | 3.0056 | View | CSV | PDB |
| 6.5 | -1.2789 | 2.8553 | View | CSV | PDB |
| 7.0 | -1.2629 | 2.7478 | View | CSV | PDB |
| 7.5 | -1.2187 | 2.6793 | View | CSV | PDB |
| 8.0 | -1.1588 | 2.6375 | View | CSV | PDB |
| 8.5 | -1.0876 | 2.6184 | View | CSV | PDB |
| 9.0 | -1.0047 | 2.6247 | 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