| Chain sequence(s) |
A: MATQADLMELDMAMEPDRKAAVSHWQQQSYLDSGIHSGATTTAPSLSGKGNPEEEDVDTSQVLYEWEQGFSQSFTQEQVADIDGQYAMTRAQRVRAAMFPETLDEGMQIPSTQFDAAHPTNVQRLAEPSQMLKHAVVNLINYQDDAELATRAIPELTKLLNDEDQVVVNKAAVMVHQLSKKEASRHAIMRSPQMVSAIVRTMQNTNDVETARCTAGTLHNLSHHREGLLAIFKSGGIPALVKMLGSPVDSVLFYAITTLHNLLLHQEGAKMAVRLAGGLQKMVALLNKTNVKFLAITTDCLQILAYGNQESKLIILASGGPQALVNIMRTYTYEKLLWTTSRVLKVLSVCSSNKPAIVEAGGMQALGLHLTDPSQRLVQNCLWTLRNLSDAATKQEGMEGLLGTLVQLLGSDDINVVTCAAGILSNLTCNNYKNKMMVCQVGGIEALVRTVLRAGDREDITEPAICALRHLTSRHQEAEMAQNAVRLHYGLPVVVKLLHPPSHWPLIKATVGLIRNLALCPANHAPLREQGAIPRLVQLLVRAHQDTQRRTSMGGTQQQFVEGVRMEEIVEGCTGALHILARDVHNRIVIRGLNTIPLFVQLLYSPIENIQRVAAGVLCELAQDKEAAEAIEAEGATAPLTELLHSRNEGVATYAAAVLFRMSEDKPQDYKKRLSVELTSSLFRTEPMAWNETADLGLDIGAQGEPLGYRQDDPSYRSFHSGGYGQDALGMDPMMEHEMGGHHPGADYPVDGLPDLGHAQDLMDGLPPGDSNQLAWFDTDL
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 (00:09:11)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/2b00911fc002607/tmp/folded.pdb (00:09:11)
[INFO] Main: Simulation completed successfully. (00:13:47)
|
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 | 0.7376 | |
| 2 | A | A | 0.0733 | |
| 3 | T | A | -0.5093 | |
| 4 | Q | A | -1.2194 | |
| 5 | A | A | -0.9763 | |
| 6 | D | A | -1.6022 | |
| 7 | L | A | 0.1779 | |
| 8 | M | A | -0.2461 | |
| 9 | E | A | -1.2038 | |
| 10 | L | A | 0.1990 | |
| 11 | D | A | -1.0110 | |
| 12 | M | A | -0.0134 | |
| 13 | A | A | -0.6334 | |
| 14 | M | A | -1.5428 | |
| 15 | E | A | -2.9349 | |
| 16 | P | A | -2.5408 | |
| 17 | D | A | -3.4471 | |
| 18 | R | A | -3.7833 | |
| 19 | K | A | -3.1026 | |
| 20 | A | A | -2.1343 | |
| 21 | A | A | -1.3653 | |
| 22 | V | A | -0.8598 | |
| 23 | S | A | -1.4188 | |
| 24 | H | A | -1.5205 | |
| 25 | W | A | -0.1114 | |
| 26 | Q | A | -0.6112 | |
| 27 | Q | A | -1.3672 | |
| 28 | Q | A | -1.1375 | |
| 29 | S | A | -0.3179 | |
| 30 | Y | A | 0.8479 | |
| 31 | L | A | 0.7130 | |
| 32 | D | A | -0.7118 | |
| 33 | S | A | -0.3443 | |
| 34 | G | A | -0.2059 | |
| 35 | I | A | 0.8843 | |
| 36 | H | A | -0.4158 | |
| 37 | S | A | -0.3784 | |
| 38 | G | A | -0.6108 | |
| 39 | A | A | -0.4338 | |
| 40 | T | A | -0.2462 | |
| 41 | T | A | -0.1986 | |
| 42 | T | A | -0.1756 | |
| 43 | A | A | -0.0139 | |
| 44 | P | A | -0.0267 | |
| 45 | S | A | 0.3712 | |
| 46 | L | A | 1.1860 | |
| 47 | S | A | -0.1092 | |
| 48 | G | A | -1.1707 | |
| 49 | K | A | -2.4811 | |
| 50 | G | A | -2.0938 | |
| 51 | N | A | -2.3890 | |
| 52 | P | A | -2.2932 | |
| 53 | E | A | -3.5911 | |
| 54 | E | A | -4.1713 | |
| 55 | E | A | -3.6045 | |
| 56 | D | A | -2.5758 | |
| 57 | V | A | -0.4444 | |
| 58 | D | A | -1.6272 | |
| 59 | T | A | -0.8784 | |
| 60 | S | A | -0.6810 | |
| 61 | Q | A | -0.4495 | |
| 62 | V | A | 1.2065 | |
| 63 | L | A | 2.0717 | |
| 64 | Y | A | 1.2941 | |
| 65 | E | A | -0.8688 | |
| 66 | W | A | 0.0610 | |
| 67 | E | A | -1.9735 | |
| 68 | Q | A | -1.9724 | |
| 69 | G | A | -0.7241 | |
| 70 | F | A | 1.0404 | |
| 71 | S | A | -0.0575 | |
| 72 | Q | A | -0.1540 | |
| 73 | S | A | 0.1407 | |
| 74 | F | A | 0.6389 | |
| 75 | T | A | -0.9570 | |
| 76 | Q | A | -1.8384 | |
| 77 | E | A | -2.7163 | |
| 78 | Q | A | -1.7262 | |
| 79 | V | A | -1.0571 | |
| 80 | A | A | -1.9152 | |
| 81 | D | A | -2.7217 | |
| 82 | I | A | -1.0518 | |
| 83 | D | A | -1.8509 | |
| 84 | G | A | -1.4470 | |
| 85 | Q | A | -0.8986 | |
| 86 | Y | A | -0.0898 | |
| 87 | A | A | -0.6208 | |
| 88 | M | A | 0.0356 | |
| 89 | T | A | -0.6386 | |
| 90 | R | A | -1.4914 | |
| 91 | A | A | -0.7741 | |
| 92 | Q | A | -0.7161 | |
| 93 | R | A | -1.0442 | |
| 94 | V | A | -0.4484 | |
| 95 | R | A | -1.1828 | |
| 96 | A | A | -0.7107 | |
| 97 | A | A | -0.6584 | |
| 98 | M | A | 0.0000 | |
| 99 | F | A | -0.0657 | |
| 100 | P | A | -1.2735 | |
| 101 | E | A | -2.2751 | |
| 102 | T | A | -1.4503 | |
| 103 | L | A | -1.9673 | |
| 104 | D | A | -3.0889 | |
| 105 | E | A | -3.2134 | |
| 106 | G | A | -1.8977 | |
| 107 | M | A | -1.4392 | |
| 108 | Q | A | -1.5308 | |
| 109 | I | A | -0.6819 | |
| 110 | P | A | -0.7402 | |
| 111 | S | A | -0.4162 | |
| 112 | T | A | -0.1476 | |
| 113 | Q | A | 0.0912 | |
| 114 | F | A | 1.3376 | |
| 115 | D | A | 0.0077 | |
| 116 | A | A | -0.1377 | |
| 117 | A | A | -0.3901 | |
| 118 | H | A | -1.3607 | |
| 119 | P | A | -1.2902 | |
| 120 | T | A | -1.2260 | |
| 121 | N | A | -1.6807 | |
| 122 | V | A | -1.1337 | |
| 123 | Q | A | -1.8489 | |
| 124 | R | A | -2.3686 | |
| 125 | L | A | -0.3665 | |
| 126 | A | A | -0.7755 | |
| 127 | E | A | -1.6213 | |
| 128 | P | A | -0.4111 | |
| 129 | S | A | 0.1703 | |
| 130 | Q | A | 0.0509 | |
| 131 | M | A | 0.8521 | |
| 132 | L | A | 1.4746 | |
| 133 | K | A | 0.6049 | |
| 134 | H | A | 0.4372 | |
| 135 | A | A | 1.4466 | |
| 136 | V | A | 2.9050 | |
| 137 | V | A | 2.1666 | |
| 138 | N | A | 0.4283 | |
| 139 | L | A | 2.2615 | |
| 140 | I | A | 2.2622 | |
| 141 | N | A | -0.1264 | |
| 142 | Y | A | -0.1058 | |
| 143 | Q | A | -1.4962 | |
| 144 | D | A | -2.0466 | |
| 145 | D | A | -1.9137 | |
| 146 | A | A | -1.9698 | |
| 147 | E | A | -2.2167 | |
| 148 | L | A | -0.5565 | |
| 149 | A | A | 0.0000 | |
| 150 | T | A | -1.5418 | |
| 151 | R | A | -2.1450 | |
| 152 | A | A | -1.3205 | |
| 153 | I | A | 0.0000 | |
| 154 | P | A | -2.1209 | |
| 155 | E | A | -2.8684 | |
| 156 | L | A | 0.0000 | |
| 157 | T | A | -2.0557 | |
| 158 | K | A | -2.9624 | |
| 159 | L | A | -2.1579 | |
| 160 | L | A | 0.0000 | |
| 161 | N | A | -2.9862 | |
| 162 | D | A | -2.7863 | |
| 163 | E | A | -2.9634 | |
| 164 | D | A | -2.2956 | |
| 165 | Q | A | -1.5846 | |
| 166 | V | A | 0.3472 | |
| 167 | V | A | -0.5294 | |
| 168 | V | A | 0.0000 | |
| 169 | N | A | -0.6800 | |
| 170 | K | A | -1.1052 | |
| 171 | A | A | 0.0000 | |
| 172 | A | A | 0.0000 | |
| 173 | V | A | -0.4801 | |
| 174 | M | A | -0.2950 | |
| 175 | V | A | 0.0000 | |
| 176 | H | A | -1.1057 | |
| 177 | Q | A | -1.6733 | |
| 178 | L | A | -1.3841 | |
| 179 | S | A | 0.0000 | |
| 180 | K | A | -3.0915 | |
| 181 | K | A | -3.1405 | |
| 182 | E | A | -2.8679 | |
| 183 | A | A | 0.0000 | |
| 184 | S | A | 0.0000 | |
| 185 | R | A | 0.0000 | |
| 186 | H | A | -1.6813 | |
| 187 | A | A | -1.2823 | |
| 188 | I | A | 0.0000 | |
| 189 | M | A | 0.0000 | |
| 190 | R | A | -2.3265 | |
| 191 | S | A | -1.4464 | |
| 192 | P | A | -1.3267 | |
| 193 | Q | A | -1.7643 | |
| 194 | M | A | 0.0000 | |
| 195 | V | A | 0.0000 | |
| 196 | S | A | -1.3337 | |
| 197 | A | A | 0.0000 | |
| 198 | I | A | 0.0000 | |
| 199 | V | A | 0.0000 | |
| 200 | R | A | -2.5221 | |
| 201 | T | A | 0.0000 | |
| 202 | M | A | 0.0000 | |
| 203 | Q | A | -2.1923 | |
| 204 | N | A | -2.3197 | |
| 205 | T | A | -1.8015 | |
| 206 | N | A | -1.7244 | |
| 207 | D | A | -0.9252 | |
| 208 | V | A | 0.3090 | |
| 209 | E | A | -0.8964 | |
| 210 | T | A | 0.0000 | |
| 211 | A | A | 0.0000 | |
| 212 | R | A | -0.4983 | |
| 213 | C | A | 0.0000 | |
| 214 | T | A | 0.0000 | |
| 215 | A | A | 0.0000 | |
| 216 | G | A | 0.0000 | |
| 217 | T | A | 0.0000 | |
| 218 | L | A | 0.0000 | |
| 219 | H | A | -0.3530 | |
| 220 | N | A | -1.2269 | |
| 221 | L | A | 0.0000 | |
| 222 | S | A | 0.0000 | |
| 223 | H | A | -1.8872 | |
| 224 | H | A | -2.0887 | |
| 225 | R | A | -2.7823 | |
| 226 | E | A | -2.7456 | |
| 227 | G | A | 0.0000 | |
| 228 | L | A | 0.0000 | |
| 229 | L | A | -0.4609 | |
| 230 | A | A | 0.0000 | |
| 231 | I | A | 0.0000 | |
| 232 | F | A | -0.3591 | |
| 233 | K | A | -1.1801 | |
| 234 | S | A | -1.0898 | |
| 235 | G | A | -0.9626 | |
| 236 | G | A | 0.0000 | |
| 237 | I | A | 0.0000 | |
| 238 | P | A | -0.5049 | |
| 239 | A | A | 0.0000 | |
| 240 | L | A | 0.0000 | |
| 241 | V | A | 0.0000 | |
| 242 | K | A | -2.0702 | |
| 243 | M | A | 0.0000 | |
| 244 | L | A | 0.0000 | |
| 245 | G | A | -1.0916 | |
| 246 | S | A | -0.7151 | |
| 247 | P | A | -0.4895 | |
| 248 | V | A | -0.5394 | |
| 249 | D | A | -1.7185 | |
| 250 | S | A | -0.5731 | |
| 251 | V | A | 0.0000 | |
| 252 | L | A | 0.0000 | |
| 253 | F | A | 0.0471 | |
| 254 | Y | A | 0.1810 | |
| 255 | A | A | 0.0000 | |
| 256 | I | A | 0.0000 | |
| 257 | T | A | 0.2169 | |
| 258 | T | A | 0.0000 | |
| 259 | L | A | 0.0000 | |
| 260 | H | A | -0.0311 | |
| 261 | N | A | -0.4511 | |
| 262 | L | A | 0.0000 | |
| 263 | L | A | 0.0000 | |
| 264 | L | A | 0.2918 | |
| 265 | H | A | -1.0525 | |
| 266 | Q | A | -1.3474 | |
| 267 | E | A | -1.7522 | |
| 268 | G | A | -1.1102 | |
| 269 | A | A | 0.0000 | |
| 270 | K | A | -0.5818 | |
| 271 | M | A | 0.3670 | |
| 272 | A | A | 0.3165 | |
| 273 | V | A | 0.0000 | |
| 274 | R | A | 0.2104 | |
| 275 | L | A | 1.4471 | |
| 276 | A | A | 0.2603 | |
| 277 | G | A | -0.2218 | |
| 278 | G | A | 0.0000 | |
| 279 | L | A | 0.0000 | |
| 280 | Q | A | -1.0368 | |
| 281 | K | A | -1.3497 | |
| 282 | M | A | 0.0000 | |
| 283 | V | A | 0.0000 | |
| 284 | A | A | -0.8108 | |
| 285 | L | A | -0.7623 | |
| 286 | L | A | 0.0000 | |
| 287 | N | A | -1.7161 | |
| 288 | K | A | -1.5750 | |
| 289 | T | A | -1.1561 | |
| 290 | N | A | -1.6807 | |
| 291 | V | A | -0.9603 | |
| 292 | K | A | -1.7130 | |
| 293 | F | A | 0.0000 | |
| 294 | L | A | 0.0000 | |
| 295 | A | A | 0.0000 | |
| 296 | I | A | -0.1965 | |
| 297 | T | A | 0.0000 | |
| 298 | T | A | 0.0000 | |
| 299 | D | A | -0.0872 | |
| 300 | C | A | 0.0000 | |
| 301 | L | A | 0.0000 | |
| 302 | Q | A | 0.0000 | |
| 303 | I | A | 0.5366 | |
| 304 | L | A | 0.0000 | |
| 305 | A | A | 0.0000 | |
| 306 | Y | A | 0.8349 | |
| 307 | G | A | -0.3668 | |
| 308 | N | A | -0.9818 | |
| 309 | Q | A | -1.5767 | |
| 310 | E | A | -2.1082 | |
| 311 | S | A | 0.0000 | |
| 312 | K | A | -0.2309 | |
| 313 | L | A | 0.1051 | |
| 314 | I | A | 0.0884 | |
| 315 | I | A | 0.0000 | |
| 316 | L | A | 0.1954 | |
| 317 | A | A | 0.3323 | |
| 318 | S | A | -0.2536 | |
| 319 | G | A | -0.4729 | |
| 320 | G | A | 0.0000 | |
| 321 | P | A | 0.0000 | |
| 322 | Q | A | -1.3488 | |
| 323 | A | A | -0.9870 | |
| 324 | L | A | 0.0000 | |
| 325 | V | A | 0.0000 | |
| 326 | N | A | -1.6289 | |
| 327 | I | A | 0.0000 | |
| 328 | M | A | 0.0000 | |
| 329 | R | A | -1.3059 | |
| 330 | T | A | -0.7678 | |
| 331 | Y | A | -0.1665 | |
| 332 | T | A | -0.2169 | |
| 333 | Y | A | -0.1856 | |
| 334 | E | A | -0.7894 | |
| 335 | K | A | -1.1199 | |
| 336 | L | A | 0.0000 | |
| 337 | L | A | 0.0000 | |
| 338 | W | A | -0.6514 | |
| 339 | T | A | 0.0000 | |
| 340 | T | A | 0.0000 | |
| 341 | S | A | 0.0000 | |
| 342 | R | A | -0.3796 | |
| 343 | V | A | 0.0000 | |
| 344 | L | A | 0.0000 | |
| 345 | K | A | -0.1522 | |
| 346 | V | A | 0.0000 | |
| 347 | L | A | 0.0000 | |
| 348 | S | A | 0.0000 | |
| 349 | V | A | 1.2548 | |
| 350 | C | A | 0.0000 | |
| 351 | S | A | 0.0817 | |
| 352 | S | A | 0.1328 | |
| 353 | N | A | 0.0000 | |
| 354 | K | A | -0.3685 | |
| 355 | P | A | -0.8624 | |
| 356 | A | A | -0.9310 | |
| 357 | I | A | 0.0000 | |
| 358 | V | A | 0.0000 | |
| 359 | E | A | -2.0261 | |
| 360 | A | A | -1.3443 | |
| 361 | G | A | 0.0000 | |
| 362 | G | A | 0.0000 | |
| 363 | M | A | 0.0000 | |
| 364 | Q | A | -0.7225 | |
| 365 | A | A | 0.0000 | |
| 366 | L | A | 0.0000 | |
| 367 | G | A | 0.3473 | |
| 368 | L | A | 1.0606 | |
| 369 | H | A | 0.0000 | |
| 370 | L | A | 0.0000 | |
| 371 | T | A | -0.3331 | |
| 372 | D | A | -0.8375 | |
| 373 | P | A | -0.9838 | |
| 374 | S | A | -1.3076 | |
| 375 | Q | A | -1.6964 | |
| 376 | R | A | -1.7203 | |
| 377 | L | A | 0.0000 | |
| 378 | V | A | 0.0000 | |
| 379 | Q | A | -0.8599 | |
| 380 | N | A | -0.7383 | |
| 381 | C | A | 0.0000 | |
| 382 | L | A | 0.0000 | |
| 383 | W | A | -0.2446 | |
| 384 | T | A | 0.0000 | |
| 385 | L | A | 0.0000 | |
| 386 | R | A | -1.3112 | |
| 387 | N | A | -0.5341 | |
| 388 | L | A | 0.0000 | |
| 389 | S | A | 0.0000 | |
| 390 | D | A | -1.0604 | |
| 391 | A | A | -0.9837 | |
| 392 | A | A | 0.0000 | |
| 393 | T | A | 0.0000 | |
| 394 | K | A | -2.6781 | |
| 395 | Q | A | -2.3348 | |
| 396 | E | A | -3.0745 | |
| 397 | G | A | -2.0593 | |
| 398 | M | A | 0.0000 | |
| 399 | E | A | -2.5981 | |
| 400 | G | A | -1.2752 | |
| 401 | L | A | 0.0000 | |
| 402 | L | A | 0.0000 | |
| 403 | G | A | -0.9969 | |
| 404 | T | A | -0.5657 | |
| 405 | L | A | 0.0000 | |
| 406 | V | A | 0.0000 | |
| 407 | Q | A | -1.2268 | |
| 408 | L | A | -0.8918 | |
| 409 | L | A | 0.0000 | |
| 410 | G | A | -1.5533 | |
| 411 | S | A | -1.2159 | |
| 412 | D | A | -1.9237 | |
| 413 | D | A | -0.7934 | |
| 414 | I | A | 0.0947 | |
| 415 | N | A | -0.4682 | |
| 416 | V | A | 0.0000 | |
| 417 | V | A | 0.0000 | |
| 418 | T | A | -0.6559 | |
| 419 | C | A | 0.0000 | |
| 420 | A | A | 0.0000 | |
| 421 | A | A | 0.0000 | |
| 422 | G | A | -0.8312 | |
| 423 | I | A | 0.0000 | |
| 424 | L | A | 0.0000 | |
| 425 | S | A | 0.0000 | |
| 426 | N | A | -0.7394 | |
| 427 | L | A | 0.0000 | |
| 428 | T | A | 0.0000 | |
| 429 | C | A | 0.0000 | |
| 430 | N | A | -1.7598 | |
| 431 | N | A | -1.3848 | |
| 432 | Y | A | -0.8425 | |
| 433 | K | A | -2.1646 | |
| 434 | N | A | 0.0000 | |
| 435 | K | A | 0.0000 | |
| 436 | M | A | -0.8051 | |
| 437 | M | A | -0.9189 | |
| 438 | V | A | 0.0000 | |
| 439 | C | A | 0.0000 | |
| 440 | Q | A | -0.9017 | |
| 441 | V | A | -0.2942 | |
| 442 | G | A | -0.7204 | |
| 443 | G | A | 0.0000 | |
| 444 | I | A | 0.0000 | |
| 445 | E | A | -1.1941 | |
| 446 | A | A | -1.1291 | |
| 447 | L | A | 0.0000 | |
| 448 | V | A | 0.0000 | |
| 449 | R | A | -1.4322 | |
| 450 | T | A | 0.0000 | |
| 451 | V | A | 0.0000 | |
| 452 | L | A | -0.4966 | |
| 453 | R | A | -2.0879 | |
| 454 | A | A | 0.0000 | |
| 455 | G | A | -1.8929 | |
| 456 | D | A | -3.0652 | |
| 457 | R | A | -2.9517 | |
| 458 | E | A | -2.7390 | |
| 459 | D | A | -2.6632 | |
| 460 | I | A | 0.0000 | |
| 461 | T | A | 0.0000 | |
| 462 | E | A | -1.6127 | |
| 463 | P | A | -0.8122 | |
| 464 | A | A | 0.0000 | |
| 465 | I | A | 0.0000 | |
| 466 | C | A | -0.3133 | |
| 467 | A | A | 0.0000 | |
| 468 | L | A | 0.0000 | |
| 469 | R | A | 0.0000 | |
| 470 | H | A | 0.0000 | |
| 471 | L | A | 0.0000 | |
| 472 | T | A | 0.0000 | |
| 473 | S | A | -1.2250 | |
| 474 | R | A | -2.0474 | |
| 475 | H | A | -1.8858 | |
| 476 | Q | A | -2.1995 | |
| 477 | E | A | -2.0714 | |
| 478 | A | A | -1.6664 | |
| 479 | E | A | -2.1902 | |
| 480 | M | A | -0.9381 | |
| 481 | A | A | 0.0000 | |
| 482 | Q | A | 0.0000 | |
| 483 | N | A | -0.2217 | |
| 484 | A | A | 0.0000 | |
| 485 | V | A | 0.0000 | |
| 486 | R | A | 0.4324 | |
| 487 | L | A | 1.4032 | |
| 488 | H | A | 0.4728 | |
| 489 | Y | A | 1.3174 | |
| 490 | G | A | 0.0000 | |
| 491 | L | A | 0.0000 | |
| 492 | P | A | -0.5894 | |
| 493 | V | A | 0.0000 | |
| 494 | V | A | 0.0000 | |
| 495 | V | A | 0.0000 | |
| 496 | K | A | -1.9057 | |
| 497 | L | A | 0.0000 | |
| 498 | L | A | 0.0000 | |
| 499 | H | A | -1.2101 | |
| 500 | P | A | -1.2192 | |
| 501 | P | A | -1.2784 | |
| 502 | S | A | -1.6617 | |
| 503 | H | A | -1.7812 | |
| 504 | W | A | -1.1388 | |
| 505 | P | A | -1.1221 | |
| 506 | L | A | 0.0000 | |
| 507 | I | A | 0.0000 | |
| 508 | K | A | -0.7735 | |
| 509 | A | A | 0.0000 | |
| 510 | T | A | 0.0000 | |
| 511 | V | A | 0.0000 | |
| 512 | G | A | -0.3786 | |
| 513 | L | A | 0.0000 | |
| 514 | I | A | 0.0000 | |
| 515 | R | A | -0.3868 | |
| 516 | N | A | 0.0000 | |
| 517 | L | A | 0.0000 | |
| 518 | A | A | 0.0000 | |
| 519 | L | A | -0.0056 | |
| 520 | C | A | 0.0000 | |
| 521 | P | A | -0.5297 | |
| 522 | A | A | -0.1092 | |
| 523 | N | A | 0.0000 | |
| 524 | H | A | 0.0000 | |
| 525 | A | A | -0.9002 | |
| 526 | P | A | -1.0820 | |
| 527 | L | A | 0.0000 | |
| 528 | R | A | -1.5622 | |
| 529 | E | A | -2.3499 | |
| 530 | Q | A | -1.9727 | |
| 531 | G | A | -1.4481 | |
| 532 | A | A | 0.0000 | |
| 533 | I | A | 0.0000 | |
| 534 | P | A | -0.5578 | |
| 535 | R | A | -1.0017 | |
| 536 | L | A | 0.0000 | |
| 537 | V | A | 0.0000 | |
| 538 | Q | A | -1.4990 | |
| 539 | L | A | 0.0000 | |
| 540 | L | A | 0.0000 | |
| 541 | V | A | -0.8297 | |
| 542 | R | A | -2.0422 | |
| 543 | A | A | 0.0000 | |
| 544 | H | A | -1.6154 | |
| 545 | Q | A | -1.9980 | |
| 546 | D | A | 0.0000 | |
| 547 | T | A | -2.1147 | |
| 548 | Q | A | -1.9993 | |
| 549 | R | A | -2.6083 | |
| 550 | R | A | -2.2079 | |
| 551 | T | A | -1.3238 | |
| 552 | S | A | -0.9737 | |
| 553 | M | A | -0.1872 | |
| 554 | G | A | -0.7775 | |
| 555 | G | A | -1.5343 | |
| 556 | T | A | -1.3910 | |
| 557 | Q | A | -2.2665 | |
| 558 | Q | A | -2.2972 | |
| 559 | Q | A | -1.8841 | |
| 560 | F | A | -0.3168 | |
| 561 | V | A | -0.5765 | |
| 562 | E | A | -1.8455 | |
| 563 | G | A | -0.9729 | |
| 564 | V | A | 0.0000 | |
| 565 | R | A | -1.1248 | |
| 566 | M | A | 0.0000 | |
| 567 | E | A | -1.0184 | |
| 568 | E | A | -1.0353 | |
| 569 | I | A | 0.0000 | |
| 570 | V | A | 0.0000 | |
| 571 | E | A | -0.8542 | |
| 572 | G | A | -0.6700 | |
| 573 | C | A | 0.0000 | |
| 574 | T | A | 0.0000 | |
| 575 | G | A | 0.0000 | |
| 576 | A | A | 0.0000 | |
| 577 | L | A | 0.0000 | |
| 578 | H | A | 0.0000 | |
| 579 | I | A | 0.0000 | |
| 580 | L | A | 0.0000 | |
| 581 | A | A | 0.0000 | |
| 582 | R | A | -1.5334 | |
| 583 | D | A | -0.5783 | |
| 584 | V | A | 0.4052 | |
| 585 | H | A | 0.0667 | |
| 586 | N | A | 0.0000 | |
| 587 | R | A | 0.0000 | |
| 588 | I | A | 1.5959 | |
| 589 | V | A | 0.9067 | |
| 590 | I | A | 0.0000 | |
| 591 | R | A | -0.3094 | |
| 592 | G | A | -0.0957 | |
| 593 | L | A | -0.0725 | |
| 594 | N | A | -1.1409 | |
| 595 | T | A | 0.0000 | |
| 596 | I | A | 0.0000 | |
| 597 | P | A | -0.8703 | |
| 598 | L | A | -0.3592 | |
| 599 | F | A | 0.0000 | |
| 600 | V | A | 0.0000 | |
| 601 | Q | A | -0.4877 | |
| 602 | L | A | 0.0000 | |
| 603 | L | A | 0.0000 | |
| 604 | Y | A | 0.8050 | |
| 605 | S | A | 0.1926 | |
| 606 | P | A | 0.0714 | |
| 607 | I | A | -0.0577 | |
| 608 | E | A | -1.2713 | |
| 609 | N | A | -1.2007 | |
| 610 | I | A | 0.0000 | |
| 611 | Q | A | -0.5603 | |
| 612 | R | A | -1.0136 | |
| 613 | V | A | 0.0000 | |
| 614 | A | A | 0.0000 | |
| 615 | A | A | 0.0000 | |
| 616 | G | A | 0.0000 | |
| 617 | V | A | 0.0000 | |
| 618 | L | A | 0.0000 | |
| 619 | C | A | 0.0000 | |
| 620 | E | A | -0.9937 | |
| 621 | L | A | 0.0000 | |
| 622 | A | A | 0.0000 | |
| 623 | Q | A | -2.2330 | |
| 624 | D | A | -2.2186 | |
| 625 | K | A | -4.0369 | |
| 626 | E | A | -3.5388 | |
| 627 | A | A | 0.0000 | |
| 628 | A | A | 0.0000 | |
| 629 | E | A | -3.5096 | |
| 630 | A | A | -2.1513 | |
| 631 | I | A | 0.0000 | |
| 632 | E | A | -1.7035 | |
| 633 | A | A | -1.3990 | |
| 634 | E | A | -1.8743 | |
| 635 | G | A | -1.1398 | |
| 636 | A | A | 0.0000 | |
| 637 | T | A | -0.6520 | |
| 638 | A | A | -0.5379 | |
| 639 | P | A | 0.0000 | |
| 640 | L | A | 0.0000 | |
| 641 | T | A | -1.1194 | |
| 642 | E | A | -1.9641 | |
| 643 | L | A | 0.0000 | |
| 644 | L | A | 0.0000 | |
| 645 | H | A | -2.2721 | |
| 646 | S | A | -2.4015 | |
| 647 | R | A | -2.6956 | |
| 648 | N | A | -2.5984 | |
| 649 | E | A | -2.5950 | |
| 650 | G | A | -1.5421 | |
| 651 | V | A | 0.0000 | |
| 652 | A | A | 0.0000 | |
| 653 | T | A | -0.3204 | |
| 654 | Y | A | -0.1693 | |
| 655 | A | A | 0.0000 | |
| 656 | A | A | 0.1342 | |
| 657 | A | A | 0.1095 | |
| 658 | V | A | 0.0000 | |
| 659 | L | A | 0.0000 | |
| 660 | F | A | -0.5016 | |
| 661 | R | A | -2.0870 | |
| 662 | M | A | 0.0000 | |
| 663 | S | A | 0.0000 | |
| 664 | E | A | -3.3511 | |
| 665 | D | A | -3.5752 | |
| 666 | K | A | -2.5117 | |
| 667 | P | A | -2.2223 | |
| 668 | Q | A | -3.0746 | |
| 669 | D | A | -2.6545 | |
| 670 | Y | A | -2.1138 | |
| 671 | K | A | -2.7676 | |
| 672 | K | A | -2.6678 | |
| 673 | R | A | -2.3923 | |
| 674 | L | A | -1.0567 | |
| 675 | S | A | -0.2778 | |
| 676 | V | A | 0.3932 | |
| 677 | E | A | -0.4566 | |
| 678 | L | A | 0.3397 | |
| 679 | T | A | 0.9196 | |
| 680 | S | A | 0.4876 | |
| 681 | S | A | 0.0000 | |
| 682 | L | A | 0.2898 | |
| 683 | F | A | 1.4513 | |
| 684 | R | A | -0.3357 | |
| 685 | T | A | -0.6294 | |
| 686 | E | A | -1.4744 | |
| 687 | P | A | -0.4977 | |
| 688 | M | A | 0.0161 | |
| 689 | A | A | -0.0648 | |
| 690 | W | A | 0.0545 | |
| 691 | N | A | -1.6407 | |
| 692 | E | A | -2.1651 | |
| 693 | T | A | -1.2083 | |
| 694 | A | A | -1.1480 | |
| 695 | D | A | -1.5831 | |
| 696 | L | A | 0.3741 | |
| 697 | G | A | 0.2561 | |
| 698 | L | A | 1.1461 | |
| 699 | D | A | -0.0761 | |
| 700 | I | A | 1.1892 | |
| 701 | G | A | -0.0869 | |
| 702 | A | A | -0.7000 | |
| 703 | Q | A | -1.7296 | |
| 704 | G | A | -2.0115 | |
| 705 | E | A | -2.1149 | |
| 706 | P | A | -0.5813 | |
| 707 | L | A | 0.8233 | |
| 708 | G | A | 0.3756 | |
| 709 | Y | A | 0.1879 | |
| 710 | R | A | -2.1131 | |
| 711 | Q | A | -3.0876 | |
| 712 | D | A | -3.8047 | |
| 713 | D | A | -3.2048 | |
| 714 | P | A | -1.6120 | |
| 715 | S | A | -0.4333 | |
| 716 | Y | A | 0.1336 | |
| 717 | R | A | -0.9794 | |
| 718 | S | A | -0.1634 | |
| 719 | F | A | 0.7921 | |
| 720 | H | A | -0.5711 | |
| 721 | S | A | -0.3870 | |
| 722 | G | A | -0.5280 | |
| 723 | G | A | -0.3037 | |
| 724 | Y | A | 0.4472 | |
| 725 | G | A | -0.9178 | |
| 726 | Q | A | -1.9640 | |
| 727 | D | A | -2.1044 | |
| 728 | A | A | -0.5749 | |
| 729 | L | A | 1.1969 | |
| 730 | G | A | 0.5642 | |
| 731 | M | A | 0.3547 | |
| 732 | D | A | -1.2519 | |
| 733 | P | A | -0.1803 | |
| 734 | M | A | 0.7482 | |
| 735 | M | A | 0.4412 | |
| 736 | E | A | -1.9392 | |
| 737 | H | A | -2.3221 | |
| 738 | E | A | -2.2228 | |
| 739 | M | A | -0.5825 | |
| 740 | G | A | -0.9137 | |
| 741 | G | A | -1.1548 | |
| 742 | H | A | -1.7776 | |
| 743 | H | A | -1.8935 | |
| 744 | P | A | -1.2539 | |
| 745 | G | A | -1.1891 | |
| 746 | A | A | -0.8205 | |
| 747 | D | A | -1.2858 | |
| 748 | Y | A | 0.5448 | |
| 749 | P | A | 0.4868 | |
| 750 | V | A | 0.9808 | |
| 751 | D | A | -0.7614 | |
| 752 | G | A | -0.5274 | |
| 753 | L | A | 0.5650 | |
| 754 | P | A | -0.3470 | |
| 755 | D | A | -1.1132 | |
| 756 | L | A | 0.3248 | |
| 757 | G | A | -0.9413 | |
| 758 | H | A | -1.6329 | |
| 759 | A | A | -1.3029 | |
| 760 | Q | A | -1.9925 | |
| 761 | D | A | -2.1307 | |
| 762 | L | A | 0.1612 | |
| 763 | M | A | 0.2528 | |
| 764 | D | A | -1.3534 | |
| 765 | G | A | -0.2852 | |
| 766 | L | A | 1.0127 | |
| 767 | P | A | -0.4463 | |
| 768 | P | A | -0.8172 | |
| 769 | G | A | -1.4072 | |
| 770 | D | A | -2.5670 | |
| 771 | S | A | -1.8547 | |
| 772 | N | A | -2.1116 | |
| 773 | Q | A | -1.6108 | |
| 774 | L | A | 0.7060 | |
| 775 | A | A | 0.9653 | |
| 776 | W | A | 1.1729 | |
| 777 | F | A | 1.5905 | |
| 778 | D | A | -0.0183 | |
| 779 | T | A | 0.3758 | |
| 780 | D | A | -0.1498 | |
| 781 | L | A | 0.8487 |
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 | -0.2284 | 4.9759 | View | CSV | PDB |
| 4.5 | -0.3088 | 4.8713 | View | CSV | PDB |
| 5.0 | -0.4077 | 4.7542 | View | CSV | PDB |
| 5.5 | -0.5094 | 4.6324 | View | CSV | PDB |
| 6.0 | -0.5991 | 4.5092 | View | CSV | PDB |
| 6.5 | -0.6667 | 4.3856 | View | CSV | PDB |
| 7.0 | -0.7113 | 4.2626 | View | CSV | PDB |
| 7.5 | -0.7403 | 4.1416 | View | CSV | PDB |
| 8.0 | -0.7602 | 4.0268 | View | CSV | PDB |
| 8.5 | -0.7716 | 3.9277 | View | CSV | PDB |
| 9.0 | -0.7716 | 3.8579 | 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