| Chain sequence(s) |
A: MITAADFYHVMTAMVPLYVAMILAYGSVKWWKIFTPDQCSGINRFVALFAVPLLSFHFIAANNPYAMNLRFLAADSLQKVIVLSLLFLWCKLSRNGSLDWTITLFSLSTLPNTLVMGIPLLKGMYGNFSGDLMVQIVVLQCIIWYTLMLFLFEYRGAKLLISEQFPDTAGSIVSIHVDSDIMSLDGRQPLETEAEIKEDGKLHVTVRRSNASRSDIYSRRSQGLSATPRPSNLTNAEIYSLQSSRNPTPRGSSFNHTDFYSMMASGGGRNSNFGPGEAVFGSKGPTPRPSNYEEDGGPAKPTAAGTAAGAGRFHYQSGGSGGGGGAHYPAPNPGMFSPNTGGGGGTAAKGNAPVVGGKRQDGNGRDLHMFVWSSSASPVSDVFGGGGGNHHADYSTATNDHQKDVKISVPQGNSNDNQYVEREEFSFGNKDDDSKVLATDGGNNISNKTTQAKVMPPTSVMTRLILIMVWRKLIRNPNSYSSLFGITWSLISFKWNIEMPALIAKSISILSDAGLGMAMFSLGLFMALNPRIIACGNRRAAFAAAMRFVVGPAVMLVASYAVGLRGVLLHVAIIQAALPQGIVPFVFAKEYNVHPDILSTAVIFGMLIALPITLLYYILLGL
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 partially or entirely disordered. Average score is
recommended for pH analysis. (00:00:02)
[INFO] FoldX: Starting FoldX energy minimization (00:00:02)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:04:29)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/d115f360ba08f8e/tmp/folded.pdb (00:04:29)
[INFO] Main: Simulation completed successfully. (00:06:51)
|
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 | 1.9114 | |
| 2 | I | A | 1.2339 | |
| 3 | T | A | 0.4178 | |
| 4 | A | A | 0.4933 | |
| 5 | A | A | 0.2849 | |
| 6 | D | A | -0.0478 | |
| 7 | F | A | 0.8126 | |
| 8 | Y | A | 1.0691 | |
| 9 | H | A | -0.3249 | |
| 10 | V | A | 0.0000 | |
| 11 | M | A | 0.8207 | |
| 12 | T | A | 0.3938 | |
| 13 | A | A | 0.1992 | |
| 14 | M | A | 0.0000 | |
| 15 | V | A | 1.5347 | |
| 16 | P | A | 0.9084 | |
| 17 | L | A | 0.0000 | |
| 18 | Y | A | 1.7723 | |
| 19 | V | A | 2.1762 | |
| 20 | A | A | 1.5858 | |
| 21 | M | A | 0.0000 | |
| 22 | I | A | 2.4027 | |
| 23 | L | A | 2.1086 | |
| 24 | A | A | 0.0000 | |
| 25 | Y | A | 1.0451 | |
| 26 | G | A | 0.0000 | |
| 27 | S | A | 0.0000 | |
| 28 | V | A | 0.4019 | |
| 29 | K | A | -0.3159 | |
| 30 | W | A | 0.9967 | |
| 31 | W | A | 1.4939 | |
| 32 | K | A | 0.0036 | |
| 33 | I | A | 1.6989 | |
| 34 | F | A | 0.3707 | |
| 35 | T | A | -0.7095 | |
| 36 | P | A | -1.3487 | |
| 37 | D | A | -2.3360 | |
| 38 | Q | A | -1.6525 | |
| 39 | C | A | 0.0000 | |
| 40 | S | A | -0.9780 | |
| 41 | G | A | -0.9288 | |
| 42 | I | A | -0.0907 | |
| 43 | N | A | 0.0000 | |
| 44 | R | A | 0.2253 | |
| 45 | F | A | 1.2933 | |
| 46 | V | A | 0.0000 | |
| 47 | A | A | 0.9126 | |
| 48 | L | A | 1.4255 | |
| 49 | F | A | 2.4480 | |
| 50 | A | A | 0.0000 | |
| 51 | V | A | 0.9638 | |
| 52 | P | A | 0.0000 | |
| 53 | L | A | 1.0946 | |
| 54 | L | A | 0.0000 | |
| 55 | S | A | 0.0000 | |
| 56 | F | A | 1.2026 | |
| 57 | H | A | 0.0052 | |
| 58 | F | A | 0.1264 | |
| 59 | I | A | 0.0000 | |
| 60 | A | A | 0.0000 | |
| 61 | A | A | -0.2478 | |
| 62 | N | A | 0.0000 | |
| 63 | N | A | -0.1900 | |
| 64 | P | A | 0.4404 | |
| 65 | Y | A | 0.8959 | |
| 66 | A | A | 0.5221 | |
| 67 | M | A | 0.3113 | |
| 68 | N | A | -0.0183 | |
| 69 | L | A | 0.6644 | |
| 70 | R | A | -1.1240 | |
| 71 | F | A | 0.0000 | |
| 72 | L | A | 0.1893 | |
| 73 | A | A | -0.0034 | |
| 74 | A | A | 0.0000 | |
| 75 | D | A | 0.0000 | |
| 76 | S | A | 0.6626 | |
| 77 | L | A | 1.4398 | |
| 78 | Q | A | 0.0000 | |
| 79 | K | A | 0.0000 | |
| 80 | V | A | 2.1001 | |
| 81 | I | A | 2.0122 | |
| 82 | V | A | 0.0000 | |
| 83 | L | A | 0.0000 | |
| 84 | S | A | 1.9497 | |
| 85 | L | A | 2.3461 | |
| 86 | L | A | 2.0083 | |
| 87 | F | A | 2.2722 | |
| 88 | L | A | 2.1716 | |
| 89 | W | A | 1.1967 | |
| 90 | C | A | 0.3724 | |
| 91 | K | A | -0.4241 | |
| 92 | L | A | 0.5948 | |
| 93 | S | A | -0.9223 | |
| 94 | R | A | -2.4280 | |
| 95 | N | A | -2.3395 | |
| 96 | G | A | -0.9724 | |
| 97 | S | A | -0.6932 | |
| 98 | L | A | 0.1647 | |
| 99 | D | A | -0.5026 | |
| 100 | W | A | 0.0000 | |
| 101 | T | A | 0.0000 | |
| 102 | I | A | 0.0000 | |
| 103 | T | A | 0.0000 | |
| 104 | L | A | 0.0000 | |
| 105 | F | A | 0.0000 | |
| 106 | S | A | 0.0000 | |
| 107 | L | A | 0.0000 | |
| 108 | S | A | 0.0000 | |
| 109 | T | A | 0.0000 | |
| 110 | L | A | 0.0000 | |
| 111 | P | A | 0.0000 | |
| 112 | N | A | 0.0000 | |
| 113 | T | A | 0.0000 | |
| 114 | L | A | 0.2643 | |
| 115 | V | A | 0.0000 | |
| 116 | M | A | 0.0000 | |
| 117 | G | A | 0.0000 | |
| 118 | I | A | 0.0000 | |
| 119 | P | A | -0.3973 | |
| 120 | L | A | 0.0000 | |
| 121 | L | A | 0.0000 | |
| 122 | K | A | -1.3396 | |
| 123 | G | A | 0.0000 | |
| 124 | M | A | 0.0000 | |
| 125 | Y | A | -0.1984 | |
| 126 | G | A | -1.0819 | |
| 127 | N | A | -1.5231 | |
| 128 | F | A | -0.5015 | |
| 129 | S | A | 0.0000 | |
| 130 | G | A | 0.0000 | |
| 131 | D | A | -1.8057 | |
| 132 | L | A | 0.0000 | |
| 133 | M | A | 0.0000 | |
| 134 | V | A | 0.0000 | |
| 135 | Q | A | 0.0000 | |
| 136 | I | A | 0.0000 | |
| 137 | V | A | 0.0000 | |
| 138 | V | A | 1.0541 | |
| 139 | L | A | 1.0302 | |
| 140 | Q | A | 0.0000 | |
| 141 | C | A | 1.1841 | |
| 142 | I | A | 1.9728 | |
| 143 | I | A | 1.9085 | |
| 144 | W | A | 0.0000 | |
| 145 | Y | A | 1.0695 | |
| 146 | T | A | 1.2130 | |
| 147 | L | A | 1.0501 | |
| 148 | M | A | 0.0000 | |
| 149 | L | A | 0.0000 | |
| 150 | F | A | 0.9984 | |
| 151 | L | A | 0.6135 | |
| 152 | F | A | 0.0000 | |
| 153 | E | A | 0.0000 | |
| 154 | Y | A | 0.6794 | |
| 155 | R | A | 0.0900 | |
| 156 | G | A | 0.0000 | |
| 157 | A | A | 0.0000 | |
| 158 | K | A | -0.3554 | |
| 159 | L | A | -0.2842 | |
| 160 | L | A | -0.7225 | |
| 161 | I | A | 0.0000 | |
| 162 | S | A | -1.4029 | |
| 163 | E | A | -2.3336 | |
| 164 | Q | A | -2.1210 | |
| 165 | F | A | -1.3529 | |
| 166 | P | A | -1.7830 | |
| 167 | D | A | -2.4137 | |
| 168 | T | A | -1.0242 | |
| 169 | A | A | 0.0000 | |
| 170 | G | A | -0.2117 | |
| 171 | S | A | -0.4455 | |
| 172 | I | A | 0.0000 | |
| 173 | V | A | 0.3350 | |
| 174 | S | A | -0.3990 | |
| 175 | I | A | -0.6248 | |
| 176 | H | A | -1.5516 | |
| 177 | V | A | 0.0000 | |
| 178 | D | A | -2.3580 | |
| 179 | S | A | -1.9409 | |
| 180 | D | A | -2.6252 | |
| 181 | I | A | 0.0000 | |
| 182 | M | A | -0.6853 | |
| 183 | S | A | -0.6167 | |
| 184 | L | A | 0.0000 | |
| 185 | D | A | -1.3481 | |
| 186 | G | A | -1.7164 | |
| 187 | R | A | -2.5695 | |
| 188 | Q | A | -2.0742 | |
| 189 | P | A | -1.9050 | |
| 190 | L | A | -1.9986 | |
| 191 | E | A | -2.3101 | |
| 192 | T | A | -1.9251 | |
| 193 | E | A | -2.3847 | |
| 194 | A | A | -1.2764 | |
| 195 | E | A | -1.5786 | |
| 196 | I | A | -0.2038 | |
| 197 | K | A | -1.9978 | |
| 198 | E | A | -2.7824 | |
| 199 | D | A | -2.3146 | |
| 200 | G | A | -1.8985 | |
| 201 | K | A | -1.7600 | |
| 202 | L | A | 0.0000 | |
| 203 | H | A | -0.9504 | |
| 204 | V | A | 0.0000 | |
| 205 | T | A | -1.6684 | |
| 206 | V | A | 0.0000 | |
| 207 | R | A | -3.2187 | |
| 208 | R | A | -3.3285 | |
| 209 | S | A | 0.0000 | |
| 210 | N | A | -2.6062 | |
| 211 | A | A | -1.9145 | |
| 212 | S | A | -1.9395 | |
| 213 | R | A | -2.1989 | |
| 214 | S | A | -1.4955 | |
| 215 | D | A | -1.7405 | |
| 216 | I | A | 0.5823 | |
| 217 | Y | A | 0.3240 | |
| 218 | S | A | -1.3667 | |
| 219 | R | A | -2.7342 | |
| 220 | R | A | -2.8776 | |
| 221 | S | A | -1.9993 | |
| 222 | Q | A | -1.8334 | |
| 223 | G | A | -0.6815 | |
| 224 | L | A | 0.9039 | |
| 225 | S | A | 0.4336 | |
| 226 | A | A | -0.0826 | |
| 227 | T | A | -0.5507 | |
| 228 | P | A | -1.3364 | |
| 229 | R | A | -2.1588 | |
| 230 | P | A | -1.5795 | |
| 231 | S | A | -1.0955 | |
| 232 | N | A | -0.7128 | |
| 233 | L | A | 0.5802 | |
| 234 | T | A | -0.3008 | |
| 235 | N | A | -1.4259 | |
| 236 | A | A | -1.0749 | |
| 237 | E | A | -0.9010 | |
| 238 | I | A | 1.9634 | |
| 239 | Y | A | 2.1402 | |
| 240 | S | A | 1.1267 | |
| 241 | L | A | 1.3172 | |
| 242 | Q | A | -0.6922 | |
| 243 | S | A | -1.0014 | |
| 244 | S | A | -1.6736 | |
| 245 | R | A | -2.8090 | |
| 246 | N | A | -2.4123 | |
| 247 | P | A | -1.5314 | |
| 248 | T | A | -1.3041 | |
| 249 | P | A | -1.4761 | |
| 250 | R | A | -2.2506 | |
| 251 | G | A | -1.3247 | |
| 252 | S | A | -0.6062 | |
| 253 | S | A | 0.0078 | |
| 254 | F | A | 0.8016 | |
| 255 | N | A | -1.0529 | |
| 256 | H | A | -0.8965 | |
| 257 | T | A | -0.4646 | |
| 258 | D | A | -0.5035 | |
| 259 | F | A | 1.9174 | |
| 260 | Y | A | 2.0030 | |
| 261 | S | A | 1.0397 | |
| 262 | M | A | 1.9079 | |
| 263 | M | A | 2.0022 | |
| 264 | A | A | 1.1142 | |
| 265 | S | A | 0.0769 | |
| 266 | G | A | -0.5962 | |
| 267 | G | A | -1.3401 | |
| 268 | G | A | -2.0251 | |
| 269 | R | A | -3.0895 | |
| 270 | N | A | -2.6053 | |
| 271 | S | A | -1.5400 | |
| 272 | N | A | -1.0051 | |
| 273 | F | A | 0.8188 | |
| 274 | G | A | -0.0538 | |
| 275 | P | A | -0.8017 | |
| 276 | G | A | -1.5524 | |
| 277 | E | A | -1.6714 | |
| 278 | A | A | 0.1712 | |
| 279 | V | A | 2.2385 | |
| 280 | F | A | 2.5461 | |
| 281 | G | A | 0.3982 | |
| 282 | S | A | -0.9595 | |
| 283 | K | A | -2.1837 | |
| 284 | G | A | -1.5146 | |
| 285 | P | A | -0.9939 | |
| 286 | T | A | -0.8496 | |
| 287 | P | A | -1.3662 | |
| 288 | R | A | -2.1520 | |
| 289 | P | A | -1.5694 | |
| 290 | S | A | -1.2690 | |
| 291 | N | A | -1.4471 | |
| 292 | Y | A | -0.6951 | |
| 293 | E | A | -2.7961 | |
| 294 | E | A | -3.4964 | |
| 295 | D | A | -3.3864 | |
| 296 | G | A | -2.1663 | |
| 297 | G | A | -1.2063 | |
| 298 | P | A | -0.9357 | |
| 299 | A | A | -1.0162 | |
| 300 | K | A | -1.8647 | |
| 301 | P | A | -1.0736 | |
| 302 | T | A | -0.5199 | |
| 303 | A | A | -0.1261 | |
| 304 | A | A | -0.2048 | |
| 305 | G | A | -0.4471 | |
| 306 | T | A | -0.2783 | |
| 307 | A | A | -0.1506 | |
| 308 | A | A | -0.1640 | |
| 309 | G | A | -0.4994 | |
| 310 | A | A | -0.7703 | |
| 311 | G | A | -1.0416 | |
| 312 | R | A | -1.3040 | |
| 313 | F | A | 0.7232 | |
| 314 | H | A | -0.0033 | |
| 315 | Y | A | 0.5385 | |
| 316 | Q | A | -0.9133 | |
| 317 | S | A | -0.8252 | |
| 318 | G | A | -1.0839 | |
| 319 | G | A | -0.9382 | |
| 320 | S | A | -0.8629 | |
| 321 | G | A | -0.9833 | |
| 322 | G | A | -1.0560 | |
| 323 | G | A | -1.1082 | |
| 324 | G | A | -0.9979 | |
| 325 | G | A | -0.9883 | |
| 326 | A | A | -0.4818 | |
| 327 | H | A | -0.4865 | |
| 328 | Y | A | 0.7125 | |
| 329 | P | A | -0.0485 | |
| 330 | A | A | -0.3157 | |
| 331 | P | A | -0.8122 | |
| 332 | N | A | -1.5272 | |
| 333 | P | A | -0.9042 | |
| 334 | G | A | 0.1476 | |
| 335 | M | A | 1.4446 | |
| 336 | F | A | 2.0178 | |
| 337 | S | A | 0.5329 | |
| 338 | P | A | -0.3803 | |
| 339 | N | A | -1.3524 | |
| 340 | T | A | -1.0590 | |
| 341 | G | A | -1.0825 | |
| 342 | G | A | -1.0262 | |
| 343 | G | A | -1.1056 | |
| 344 | G | A | -1.0260 | |
| 345 | G | A | -0.8082 | |
| 346 | T | A | -0.3540 | |
| 347 | A | A | -0.4031 | |
| 348 | A | A | -0.8273 | |
| 349 | K | A | -2.1507 | |
| 350 | G | A | -1.8668 | |
| 351 | N | A | -1.8806 | |
| 352 | A | A | -0.1795 | |
| 353 | P | A | 0.7261 | |
| 354 | V | A | 2.3865 | |
| 355 | V | A | 2.0996 | |
| 356 | G | A | -0.1420 | |
| 357 | G | A | -1.5568 | |
| 358 | K | A | -3.3078 | |
| 359 | R | A | -4.0017 | |
| 360 | Q | A | -3.7803 | |
| 361 | D | A | -3.7747 | |
| 362 | G | A | -2.9309 | |
| 363 | N | A | -3.2983 | |
| 364 | G | A | -2.6531 | |
| 365 | R | A | -3.1689 | |
| 366 | D | A | -2.5206 | |
| 367 | L | A | -0.2450 | |
| 368 | H | A | -1.1092 | |
| 369 | M | A | -0.7356 | |
| 370 | F | A | 0.1935 | |
| 371 | V | A | 0.1317 | |
| 372 | W | A | 0.4348 | |
| 373 | S | A | -0.0930 | |
| 374 | S | A | -0.5977 | |
| 375 | S | A | -0.5455 | |
| 376 | A | A | 0.0989 | |
| 377 | S | A | 0.1164 | |
| 378 | P | A | 0.3090 | |
| 379 | V | A | 1.2837 | |
| 380 | S | A | 0.5981 | |
| 381 | D | A | -0.2492 | |
| 382 | V | A | 1.8006 | |
| 383 | F | A | 1.8636 | |
| 384 | G | A | 0.1082 | |
| 385 | G | A | -0.3000 | |
| 386 | G | A | -1.0724 | |
| 387 | G | A | -1.4020 | |
| 388 | G | A | -1.6329 | |
| 389 | N | A | -2.3652 | |
| 390 | H | A | -2.2254 | |
| 391 | H | A | -2.1756 | |
| 392 | A | A | -1.4739 | |
| 393 | D | A | -1.3879 | |
| 394 | Y | A | 0.3479 | |
| 395 | S | A | 0.0435 | |
| 396 | T | A | 0.1203 | |
| 397 | A | A | -0.5370 | |
| 398 | T | A | -1.0732 | |
| 399 | N | A | -2.5369 | |
| 400 | D | A | -3.1703 | |
| 401 | H | A | -3.3233 | |
| 402 | Q | A | -3.2718 | |
| 403 | K | A | -3.1509 | |
| 404 | D | A | -2.4076 | |
| 405 | V | A | 0.0843 | |
| 406 | K | A | -0.5814 | |
| 407 | I | A | 1.8266 | |
| 408 | S | A | 1.1338 | |
| 409 | V | A | 1.5531 | |
| 410 | P | A | -0.0998 | |
| 411 | Q | A | -1.5359 | |
| 412 | G | A | -1.6902 | |
| 413 | N | A | -2.4389 | |
| 414 | S | A | -2.3884 | |
| 415 | N | A | -3.0533 | |
| 416 | D | A | -3.3459 | |
| 417 | N | A | -2.8024 | |
| 418 | Q | A | -1.6727 | |
| 419 | Y | A | 0.3780 | |
| 420 | V | A | 0.2660 | |
| 421 | E | A | -2.2891 | |
| 422 | R | A | -3.1837 | |
| 423 | E | A | -3.5955 | |
| 424 | E | A | -2.9088 | |
| 425 | F | A | -0.8011 | |
| 426 | S | A | -0.0051 | |
| 427 | F | A | 1.1380 | |
| 428 | G | A | -0.7446 | |
| 429 | N | A | -2.4273 | |
| 430 | K | A | -3.5480 | |
| 431 | D | A | -4.1589 | |
| 432 | D | A | -3.9690 | |
| 433 | D | A | -3.5433 | |
| 434 | S | A | -2.0088 | |
| 435 | K | A | -0.9913 | |
| 436 | V | A | 1.7082 | |
| 437 | L | A | 2.1099 | |
| 438 | A | A | 0.6495 | |
| 439 | T | A | -0.4561 | |
| 440 | D | A | -2.1398 | |
| 441 | G | A | -1.8641 | |
| 442 | G | A | -1.7349 | |
| 443 | N | A | -1.8008 | |
| 444 | N | A | -1.1256 | |
| 445 | I | A | 0.4689 | |
| 446 | S | A | -0.6135 | |
| 447 | N | A | -1.9523 | |
| 448 | K | A | -2.3872 | |
| 449 | T | A | -1.7175 | |
| 450 | T | A | -1.5778 | |
| 451 | Q | A | -2.0213 | |
| 452 | A | A | -1.1509 | |
| 453 | K | A | -1.7619 | |
| 454 | V | A | -0.0038 | |
| 455 | M | A | 0.1737 | |
| 456 | P | A | 0.0000 | |
| 457 | P | A | 0.0828 | |
| 458 | T | A | -0.4200 | |
| 459 | S | A | -0.6459 | |
| 460 | V | A | 0.0000 | |
| 461 | M | A | 0.0000 | |
| 462 | T | A | -0.5673 | |
| 463 | R | A | -1.5543 | |
| 464 | L | A | 0.0000 | |
| 465 | I | A | 0.0000 | |
| 466 | L | A | 0.7480 | |
| 467 | I | A | 0.9154 | |
| 468 | M | A | 0.0000 | |
| 469 | V | A | 0.0000 | |
| 470 | W | A | 1.6977 | |
| 471 | R | A | 0.7038 | |
| 472 | K | A | 0.0000 | |
| 473 | L | A | 1.0559 | |
| 474 | I | A | 1.4106 | |
| 475 | R | A | -0.8275 | |
| 476 | N | A | -0.2819 | |
| 477 | P | A | 0.5979 | |
| 478 | N | A | 0.9693 | |
| 479 | S | A | 1.3539 | |
| 480 | Y | A | 2.1045 | |
| 481 | S | A | 1.8788 | |
| 482 | S | A | 0.0000 | |
| 483 | L | A | 3.1429 | |
| 484 | F | A | 3.2194 | |
| 485 | G | A | 0.0000 | |
| 486 | I | A | 2.0144 | |
| 487 | T | A | 1.7514 | |
| 488 | W | A | 1.6340 | |
| 489 | S | A | 0.0000 | |
| 490 | L | A | 1.1422 | |
| 491 | I | A | 0.8325 | |
| 492 | S | A | 0.3030 | |
| 493 | F | A | 0.1661 | |
| 494 | K | A | -0.4837 | |
| 495 | W | A | 0.3945 | |
| 496 | N | A | -0.6188 | |
| 497 | I | A | 0.2139 | |
| 498 | E | A | -1.1663 | |
| 499 | M | A | -0.3723 | |
| 500 | P | A | 0.1001 | |
| 501 | A | A | 0.2352 | |
| 502 | L | A | 1.4139 | |
| 503 | I | A | 1.1094 | |
| 504 | A | A | 0.1133 | |
| 505 | K | A | -0.3544 | |
| 506 | S | A | 0.6294 | |
| 507 | I | A | 0.5965 | |
| 508 | S | A | 0.1744 | |
| 509 | I | A | 1.2963 | |
| 510 | L | A | 1.1944 | |
| 511 | S | A | 0.0000 | |
| 512 | D | A | -0.8519 | |
| 513 | A | A | 0.0193 | |
| 514 | G | A | 0.0000 | |
| 515 | L | A | -0.1270 | |
| 516 | G | A | -0.1288 | |
| 517 | M | A | 0.3456 | |
| 518 | A | A | 0.0000 | |
| 519 | M | A | 0.0000 | |
| 520 | F | A | 1.0533 | |
| 521 | S | A | 0.0000 | |
| 522 | L | A | 0.0000 | |
| 523 | G | A | 0.0000 | |
| 524 | L | A | 0.0000 | |
| 525 | F | A | 0.0000 | |
| 526 | M | A | 0.0000 | |
| 527 | A | A | -0.1424 | |
| 528 | L | A | -0.2601 | |
| 529 | N | A | -0.4658 | |
| 530 | P | A | -0.9721 | |
| 531 | R | A | -1.6492 | |
| 532 | I | A | -0.1330 | |
| 533 | I | A | -0.3169 | |
| 534 | A | A | -0.8466 | |
| 535 | C | A | -1.0354 | |
| 536 | G | A | -1.4763 | |
| 537 | N | A | -2.0494 | |
| 538 | R | A | -2.4192 | |
| 539 | R | A | -1.5617 | |
| 540 | A | A | 0.0000 | |
| 541 | A | A | -0.6150 | |
| 542 | F | A | -0.2191 | |
| 543 | A | A | 0.0000 | |
| 544 | A | A | 0.5367 | |
| 545 | A | A | 1.0109 | |
| 546 | M | A | 1.0257 | |
| 547 | R | A | 0.0000 | |
| 548 | F | A | 0.0000 | |
| 549 | V | A | 2.1690 | |
| 550 | V | A | 1.6862 | |
| 551 | G | A | 0.0000 | |
| 552 | P | A | 0.0000 | |
| 553 | A | A | 1.5097 | |
| 554 | V | A | 1.6937 | |
| 555 | M | A | 0.0000 | |
| 556 | L | A | 1.8500 | |
| 557 | V | A | 2.5739 | |
| 558 | A | A | 0.0000 | |
| 559 | S | A | 0.0000 | |
| 560 | Y | A | 1.3152 | |
| 561 | A | A | 1.0906 | |
| 562 | V | A | 0.1134 | |
| 563 | G | A | -0.6014 | |
| 564 | L | A | 0.0000 | |
| 565 | R | A | -1.6823 | |
| 566 | G | A | -0.7778 | |
| 567 | V | A | 0.4977 | |
| 568 | L | A | -0.1382 | |
| 569 | L | A | 0.0000 | |
| 570 | H | A | 0.1622 | |
| 571 | V | A | 0.0000 | |
| 572 | A | A | 0.0000 | |
| 573 | I | A | 0.0000 | |
| 574 | I | A | 0.0000 | |
| 575 | Q | A | 0.0000 | |
| 576 | A | A | 0.0000 | |
| 577 | A | A | 0.0000 | |
| 578 | L | A | 0.0000 | |
| 579 | P | A | 0.0000 | |
| 580 | Q | A | 0.0000 | |
| 581 | G | A | 0.0000 | |
| 582 | I | A | 0.0000 | |
| 583 | V | A | 0.5867 | |
| 584 | P | A | 0.0000 | |
| 585 | F | A | 0.0000 | |
| 586 | V | A | 0.3121 | |
| 587 | F | A | 0.0924 | |
| 588 | A | A | 0.0000 | |
| 589 | K | A | -0.7960 | |
| 590 | E | A | 0.0000 | |
| 591 | Y | A | 0.0000 | |
| 592 | N | A | -1.8995 | |
| 593 | V | A | 0.0000 | |
| 594 | H | A | -1.0200 | |
| 595 | P | A | -1.0171 | |
| 596 | D | A | -1.4166 | |
| 597 | I | A | 0.0000 | |
| 598 | L | A | 0.0000 | |
| 599 | S | A | 0.0000 | |
| 600 | T | A | 0.0000 | |
| 601 | A | A | 0.0000 | |
| 602 | V | A | 0.0000 | |
| 603 | I | A | 0.0000 | |
| 604 | F | A | 1.2047 | |
| 605 | G | A | 0.0000 | |
| 606 | M | A | 0.0000 | |
| 607 | L | A | 1.3989 | |
| 608 | I | A | 1.0410 | |
| 609 | A | A | 0.0000 | |
| 610 | L | A | 0.8979 | |
| 611 | P | A | 0.5940 | |
| 612 | I | A | 0.9937 | |
| 613 | T | A | 0.0000 | |
| 614 | L | A | 0.0000 | |
| 615 | L | A | 1.8771 | |
| 616 | Y | A | 1.4987 | |
| 617 | Y | A | 0.0000 | |
| 618 | I | A | 2.4267 | |
| 619 | L | A | 2.7120 | |
| 620 | L | A | 1.8818 | |
| 621 | G | A | 2.0007 | |
| 622 | L | A | 2.4621 |
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 | 0.1015 | 5.873 | View | CSV | PDB |
| 4.5 | 0.0561 | 5.873 | View | CSV | PDB |
| 5.0 | 0.0022 | 5.873 | View | CSV | PDB |
| 5.5 | -0.0497 | 5.873 | View | CSV | PDB |
| 6.0 | -0.0897 | 5.8729 | View | CSV | PDB |
| 6.5 | -0.113 | 5.8729 | View | CSV | PDB |
| 7.0 | -0.1231 | 5.8729 | View | CSV | PDB |
| 7.5 | -0.1261 | 5.8729 | View | CSV | PDB |
| 8.0 | -0.1249 | 5.8727 | View | CSV | PDB |
| 8.5 | -0.119 | 5.8722 | View | CSV | PDB |
| 9.0 | -0.1056 | 5.9821 | 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