| Chain sequence(s) |
A: MAKLVFSLCFLLFSGCCFAFSSREQPQQNECQIQKLNALKPDNRIESEGGLIETWNPNNKPFQCAGVALSRCTLNRNALRRPSYTNGPQEIYIQQGKGIFGMIYPGCPSTFEEPQQPQQRGQSSRPQDRHQKIYNFREGDLIAVPTGVAWWMYNNEDTPVVAVSIIDTNSLENQLDQMPRRFYLAGNQEQEFLKYQQEQGGHQSQKGKHQQEEENEGGSILSGFTLEFLEHAFSVDKQIAKNLQGENEGEDKGAIVTVKGGLSVIKPPTDEQQQRPQEEEEEEEDEKPQCKGKDKHCQRPRGSQSKSRRNGIDETICTMRLRHNIGQTSSPDIYNPQAGSVTTATSLDFPALSWLRLSAEFGSLRKNAMFVPHYNLNANSIIYALNGRALIQVVNCNGERVFDGELQEGRVLIVPQNFVVAARSQSDNFEYVSFKTNDTPMIGTLAGANSLLNALPEEVIQHTFNLKSQQARQIKNNNPFKFLVPPQESQKRAVA
input PDB |
| Selected Chain(s) | A |
| Distance of aggregation | 10 Å |
| FoldX usage | Yes |
| pH calculations | Yes |
| alphaCutter usage |
A: MAKLVFSLCFLLFSGCCFAFSSREQPQQNECQIQKLNALKPDNRIESEGGLIETWNPNNKPFQCAGVALSRCTLNRNALRRPSYTNGPQEIYIQQGKGIFGMIYPGCPSTFEEPQQPQQRGQSSRPQDRHQKIYNFREGDLIAVPTGVAWWMYNNEDTPVVAVSIIDTNSLENQLDQMPRRFYLAGNQEQEFLKYQQEQGGHQSQKGKHQQEEENEGGSILSGFTLEFLEHAFSVDKQIAKNLQGENEGEDKGAIVTVKGGLSVIKPPTDEQQQRPQEEEEEEEDEKPQCKGKDKH CQRPRGSQSKSRR NGIDETICTMRLRHNIGQTSSPDIYNPQAGSVTTATSLDFPALSWLRLSAEFGSLRKNAMFVPHYNLNANSIIYALNGRALIQVVNCNGERVFDGELQEGRVLIVPQNFVVAARSQSDNFEYVSFKTNDTPMIGTLAGANSLLNALPEEVIQHTFNLKSQQARQIKNNNPFKFLVPPQESQKRAVA(Red indicates removed residues) |
| 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) (00:00:01)
[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: Running AlphaCutter (00:00:01)
[INFO] PDB-Info: The input structure is globular. Max score is recommended for pH analysis. (00:00:12)
[INFO] FoldX: Starting FoldX energy minimization (00:00:12)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:09:39)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/4ff2ccc1f8f2268/tmp/folded.pdb (00:09:39)
[INFO] Main: Simulation completed successfully. (00:17:08)
|
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 | 1.2067 | |
| 2 | A | A | 0.9532 | |
| 3 | K | A | 0.4492 | |
| 4 | L | A | 2.4952 | |
| 5 | V | A | 3.7271 | |
| 6 | F | A | 3.8071 | |
| 7 | S | A | 3.3419 | |
| 8 | L | A | 4.5791 | |
| 9 | C | A | 4.5122 | |
| 10 | F | A | 4.9244 | |
| 11 | L | A | 4.5151 | |
| 12 | L | A | 4.2947 | |
| 13 | F | A | 4.4453 | |
| 14 | S | A | 2.9582 | |
| 15 | G | A | 2.2843 | |
| 16 | C | A | 2.8849 | |
| 17 | C | A | 2.7298 | |
| 18 | F | A | 3.1192 | |
| 19 | A | A | 2.1668 | |
| 20 | F | A | 2.6137 | |
| 21 | S | A | 0.4162 | |
| 22 | S | A | 0.0000 | |
| 23 | R | A | -1.2757 | |
| 24 | E | A | -2.6982 | |
| 25 | Q | A | -2.6653 | |
| 26 | P | A | -2.2638 | |
| 27 | Q | A | -2.7201 | |
| 28 | Q | A | -2.6967 | |
| 29 | N | A | -2.4985 | |
| 30 | E | A | -2.2125 | |
| 31 | C | A | -1.8303 | |
| 32 | Q | A | -2.2846 | |
| 33 | I | A | 0.0000 | |
| 34 | Q | A | -2.7954 | |
| 35 | K | A | -3.4085 | |
| 36 | L | A | 0.0000 | |
| 37 | N | A | -2.1705 | |
| 38 | A | A | -1.4913 | |
| 39 | L | A | -1.5411 | |
| 40 | K | A | -2.6155 | |
| 41 | P | A | -1.9762 | |
| 42 | D | A | -2.1867 | |
| 43 | N | A | -1.8571 | |
| 44 | R | A | -2.3263 | |
| 45 | I | A | -1.9377 | |
| 46 | E | A | -3.1084 | |
| 47 | S | A | -2.4987 | |
| 48 | E | A | -2.3403 | |
| 49 | G | A | 0.0000 | |
| 50 | G | A | -1.2395 | |
| 51 | L | A | -1.1099 | |
| 52 | I | A | 0.0000 | |
| 53 | E | A | 0.0000 | |
| 54 | T | A | 0.0000 | |
| 55 | W | A | 0.0000 | |
| 56 | N | A | -1.1553 | |
| 57 | P | A | -0.7690 | |
| 58 | N | A | -1.4820 | |
| 59 | N | A | -1.1561 | |
| 60 | K | A | -1.8129 | |
| 61 | P | A | 0.0000 | |
| 62 | F | A | 0.0000 | |
| 63 | Q | A | -1.2819 | |
| 64 | C | A | 0.0000 | |
| 65 | A | A | 0.0000 | |
| 66 | G | A | 0.0000 | |
| 67 | V | A | 0.0000 | |
| 68 | A | A | 0.0000 | |
| 69 | L | A | 0.0000 | |
| 70 | S | A | 0.0000 | |
| 71 | R | A | -0.3846 | |
| 72 | C | A | -0.1725 | |
| 73 | T | A | -0.5633 | |
| 74 | L | A | 0.0000 | |
| 75 | N | A | -2.4917 | |
| 76 | R | A | -3.6171 | |
| 77 | N | A | -2.5322 | |
| 78 | A | A | 0.0000 | |
| 79 | L | A | -0.3259 | |
| 80 | R | A | 0.0000 | |
| 81 | R | A | -0.0484 | |
| 82 | P | A | 0.2650 | |
| 83 | S | A | 0.0000 | |
| 84 | Y | A | 0.5112 | |
| 85 | T | A | 0.0000 | |
| 86 | N | A | 0.0000 | |
| 87 | G | A | 0.0000 | |
| 88 | P | A | 0.0000 | |
| 89 | Q | A | 0.0000 | |
| 90 | E | A | 0.0000 | |
| 91 | I | A | 0.0000 | |
| 92 | Y | A | 0.0000 | |
| 93 | I | A | 0.0000 | |
| 94 | Q | A | -1.1236 | |
| 95 | Q | A | -1.4425 | |
| 96 | G | A | 0.0000 | |
| 97 | K | A | -3.3165 | |
| 98 | G | A | 0.0000 | |
| 99 | I | A | 0.0000 | |
| 100 | F | A | 0.0000 | |
| 101 | G | A | 0.0000 | |
| 102 | M | A | 0.0000 | |
| 103 | I | A | 0.7113 | |
| 104 | Y | A | 0.4383 | |
| 105 | P | A | -0.1903 | |
| 106 | G | A | -0.3097 | |
| 107 | C | A | 0.1600 | |
| 108 | P | A | -0.4816 | |
| 109 | S | A | -1.3067 | |
| 110 | T | A | -1.3146 | |
| 111 | F | A | -1.6282 | |
| 112 | E | A | -2.9514 | |
| 113 | E | A | -3.2459 | |
| 114 | P | A | -2.1525 | |
| 115 | Q | A | -3.0653 | |
| 116 | Q | A | -2.6068 | |
| 117 | P | A | -2.3380 | |
| 118 | Q | A | -3.1491 | |
| 119 | Q | A | -3.2401 | |
| 120 | R | A | -3.2999 | |
| 121 | G | A | -2.4645 | |
| 122 | Q | A | -2.7088 | |
| 123 | S | A | -2.0112 | |
| 124 | S | A | -2.8136 | |
| 125 | R | A | -3.2272 | |
| 126 | P | A | -3.5009 | |
| 127 | Q | A | -3.4716 | |
| 128 | D | A | -3.7935 | |
| 129 | R | A | -3.5326 | |
| 130 | H | A | -1.6665 | |
| 131 | Q | A | -0.8568 | |
| 132 | K | A | -0.9596 | |
| 133 | I | A | 0.0000 | |
| 134 | Y | A | -0.8073 | |
| 135 | N | A | -1.6085 | |
| 136 | F | A | 0.0000 | |
| 137 | R | A | -2.6547 | |
| 138 | E | A | -2.5169 | |
| 139 | G | A | 0.0000 | |
| 140 | D | A | 0.0000 | |
| 141 | L | A | 0.0000 | |
| 142 | I | A | 0.0000 | |
| 143 | A | A | 0.0000 | |
| 144 | V | A | 0.0000 | |
| 145 | P | A | 0.0000 | |
| 146 | T | A | -0.1807 | |
| 147 | G | A | -0.1270 | |
| 148 | V | A | 0.0000 | |
| 149 | A | A | 0.4700 | |
| 150 | W | A | 0.0000 | |
| 151 | W | A | 0.2633 | |
| 152 | M | A | 0.0000 | |
| 153 | Y | A | 0.0000 | |
| 154 | N | A | 0.0000 | |
| 155 | N | A | -2.6266 | |
| 156 | E | A | -3.7550 | |
| 157 | D | A | -3.6713 | |
| 158 | T | A | -2.3767 | |
| 159 | P | A | -2.0802 | |
| 160 | V | A | 0.0000 | |
| 161 | V | A | -0.5272 | |
| 162 | A | A | 0.0000 | |
| 163 | V | A | 0.0000 | |
| 164 | S | A | -0.0585 | |
| 165 | I | A | 0.0000 | |
| 166 | I | A | 0.0000 | |
| 167 | D | A | 0.0000 | |
| 168 | T | A | 0.0000 | |
| 169 | N | A | 0.0000 | |
| 170 | S | A | 0.0000 | |
| 171 | L | A | -0.4558 | |
| 172 | E | A | -0.5866 | |
| 173 | N | A | -1.0608 | |
| 174 | Q | A | -1.0192 | |
| 175 | L | A | -0.0067 | |
| 176 | D | A | -1.4746 | |
| 177 | Q | A | -1.6777 | |
| 178 | M | A | -0.6785 | |
| 179 | P | A | 0.0000 | |
| 180 | R | A | -0.2512 | |
| 181 | R | A | 0.0000 | |
| 182 | F | A | 0.7021 | |
| 183 | Y | A | 0.0000 | |
| 184 | L | A | 0.6398 | |
| 185 | A | A | 0.1315 | |
| 186 | G | A | 0.0000 | |
| 187 | N | A | -2.5539 | |
| 188 | Q | A | 0.0000 | |
| 189 | E | A | -2.8553 | |
| 190 | Q | A | -1.2914 | |
| 191 | E | A | 0.0000 | |
| 192 | F | A | 0.0000 | |
| 193 | L | A | -1.1171 | |
| 194 | K | A | -1.7624 | |
| 195 | Y | A | 0.0000 | |
| 196 | Q | A | -2.2826 | |
| 197 | Q | A | -3.5661 | |
| 198 | E | A | -3.4385 | |
| 199 | Q | A | -3.2426 | |
| 200 | G | A | -2.9955 | |
| 201 | G | A | -2.4957 | |
| 202 | H | A | -2.3709 | |
| 203 | Q | A | -3.1530 | |
| 204 | S | A | -2.6155 | |
| 205 | Q | A | -3.3173 | |
| 206 | K | A | -3.6492 | |
| 207 | G | A | -3.6051 | |
| 208 | K | A | -4.9529 | |
| 209 | H | A | -4.7039 | |
| 210 | Q | A | -4.7141 | |
| 211 | Q | A | -4.9599 | |
| 212 | E | A | -5.3165 | |
| 213 | E | A | -5.2189 | |
| 214 | E | A | -4.7117 | |
| 215 | N | A | -4.1014 | |
| 216 | E | A | -3.8907 | |
| 217 | G | A | -2.4021 | |
| 218 | G | A | -1.3676 | |
| 219 | S | A | 0.0000 | |
| 220 | I | A | 0.8352 | |
| 221 | L | A | 0.5374 | |
| 222 | S | A | -0.2780 | |
| 223 | G | A | 0.1072 | |
| 224 | F | A | 0.8794 | |
| 225 | T | A | 0.2251 | |
| 226 | L | A | -0.7912 | |
| 227 | E | A | -1.5952 | |
| 228 | F | A | 0.7357 | |
| 229 | L | A | 0.0000 | |
| 230 | E | A | -1.2166 | |
| 231 | H | A | -0.9972 | |
| 232 | A | A | 0.3914 | |
| 233 | F | A | 1.2247 | |
| 234 | S | A | 0.0145 | |
| 235 | V | A | -0.7903 | |
| 236 | D | A | -2.5948 | |
| 237 | K | A | -3.1396 | |
| 238 | Q | A | -2.5939 | |
| 239 | I | A | -0.6771 | |
| 240 | A | A | 0.0000 | |
| 241 | K | A | -2.5378 | |
| 242 | N | A | -2.3370 | |
| 243 | L | A | -0.7008 | |
| 244 | Q | A | 0.0000 | |
| 245 | G | A | 0.0000 | |
| 246 | E | A | -3.5091 | |
| 247 | N | A | -3.2876 | |
| 248 | E | A | -3.1392 | |
| 249 | G | A | -2.9823 | |
| 250 | E | A | -4.2687 | |
| 251 | D | A | -4.0041 | |
| 252 | K | A | -3.0774 | |
| 253 | G | A | 0.0000 | |
| 254 | A | A | 0.0000 | |
| 255 | I | A | 0.0000 | |
| 256 | V | A | -0.8492 | |
| 257 | T | A | -1.1831 | |
| 258 | V | A | -1.1059 | |
| 259 | K | A | -1.8337 | |
| 260 | G | A | -1.3003 | |
| 261 | G | A | -1.2601 | |
| 262 | L | A | -0.1896 | |
| 263 | S | A | 0.0223 | |
| 264 | V | A | -0.4017 | |
| 265 | I | A | -1.1212 | |
| 266 | K | A | -1.2642 | |
| 267 | P | A | -1.0100 | |
| 268 | P | A | -1.5928 | |
| 269 | T | A | -2.1425 | |
| 270 | D | A | -3.8095 | |
| 271 | E | A | -3.8976 | |
| 272 | Q | A | -3.6227 | |
| 273 | Q | A | -4.0479 | |
| 274 | Q | A | -3.8578 | |
| 275 | R | A | -4.4513 | |
| 276 | P | A | -3.4673 | |
| 277 | Q | A | -4.4173 | |
| 278 | E | A | -4.6561 | |
| 279 | E | A | -5.2045 | |
| 280 | E | A | -5.8672 | |
| 281 | E | A | -5.7802 | |
| 282 | E | A | -6.5312 | |
| 283 | E | A | -6.5657 | |
| 284 | E | A | -5.9580 | |
| 285 | D | A | -5.9689 | |
| 286 | E | A | -5.5628 | |
| 287 | K | A | -4.3800 | |
| 288 | P | A | -2.4393 | |
| 289 | Q | A | -2.3669 | |
| 290 | C | A | -1.5981 | |
| 291 | K | A | -2.6202 | |
| 292 | G | A | -2.8619 | |
| 293 | K | A | -3.5786 | |
| 294 | D | A | -4.0245 | |
| 295 | K | A | -3.5300 | |
| 296 | H | A | -2.5608 | |
| 310 | N | A | -1.7317 | |
| 311 | G | A | -0.6845 | |
| 312 | I | A | 0.9358 | |
| 313 | D | A | -1.0130 | |
| 314 | E | A | -1.8063 | |
| 315 | T | A | -0.0750 | |
| 316 | I | A | 1.6292 | |
| 317 | C | A | 0.4467 | |
| 318 | T | A | -0.1402 | |
| 319 | M | A | -0.0622 | |
| 320 | R | A | -0.4499 | |
| 321 | L | A | 0.0000 | |
| 322 | R | A | -1.1710 | |
| 323 | H | A | -0.9842 | |
| 324 | N | A | -1.0792 | |
| 325 | I | A | 0.0000 | |
| 326 | G | A | 0.0000 | |
| 327 | Q | A | -1.5000 | |
| 328 | T | A | -1.2377 | |
| 329 | S | A | -0.8747 | |
| 330 | S | A | -0.6852 | |
| 331 | P | A | -0.8067 | |
| 332 | D | A | -1.4250 | |
| 333 | I | A | -0.1373 | |
| 334 | Y | A | 0.6086 | |
| 335 | N | A | 0.0000 | |
| 336 | P | A | -0.6145 | |
| 337 | Q | A | -1.5197 | |
| 338 | A | A | 0.0000 | |
| 339 | G | A | 0.0000 | |
| 340 | S | A | -0.2050 | |
| 341 | V | A | 0.0000 | |
| 342 | T | A | 0.0000 | |
| 343 | T | A | -0.5292 | |
| 344 | A | A | 0.0000 | |
| 345 | T | A | -0.1007 | |
| 346 | S | A | 0.1742 | |
| 347 | L | A | 0.9295 | |
| 348 | D | A | -0.5782 | |
| 349 | F | A | 0.0000 | |
| 350 | P | A | -0.1556 | |
| 351 | A | A | 0.0000 | |
| 352 | L | A | 0.0000 | |
| 353 | S | A | 0.1439 | |
| 354 | W | A | 0.4376 | |
| 355 | L | A | 0.0000 | |
| 356 | R | A | -0.7038 | |
| 357 | L | A | 0.0000 | |
| 358 | S | A | 0.0000 | |
| 359 | A | A | 0.0000 | |
| 360 | E | A | 0.0000 | |
| 361 | F | A | 0.0000 | |
| 362 | G | A | 0.0000 | |
| 363 | S | A | -0.5240 | |
| 364 | L | A | 0.0000 | |
| 365 | R | A | -2.6401 | |
| 366 | K | A | -3.2359 | |
| 367 | N | A | -2.3501 | |
| 368 | A | A | 0.0000 | |
| 369 | M | A | -0.6319 | |
| 370 | F | A | 0.0000 | |
| 371 | V | A | 0.0000 | |
| 372 | P | A | 0.1690 | |
| 373 | H | A | 0.0000 | |
| 374 | Y | A | 0.2134 | |
| 375 | N | A | 0.0000 | |
| 376 | L | A | 0.3449 | |
| 377 | N | A | -0.2210 | |
| 378 | A | A | 0.0000 | |
| 379 | N | A | -0.6494 | |
| 380 | S | A | 0.0000 | |
| 381 | I | A | 0.0000 | |
| 382 | I | A | 0.0000 | |
| 383 | Y | A | 0.0000 | |
| 384 | A | A | 0.0000 | |
| 385 | L | A | 0.0000 | |
| 386 | N | A | -1.8166 | |
| 387 | G | A | -2.0173 | |
| 388 | R | A | -2.7827 | |
| 389 | A | A | 0.0000 | |
| 390 | L | A | -1.1447 | |
| 391 | I | A | 0.0000 | |
| 392 | Q | A | -1.9258 | |
| 393 | V | A | 0.0000 | |
| 394 | V | A | -1.6269 | |
| 395 | N | A | -1.5347 | |
| 396 | C | A | -0.6221 | |
| 397 | N | A | -1.6921 | |
| 398 | G | A | -1.4364 | |
| 399 | E | A | -2.3825 | |
| 400 | R | A | -3.3091 | |
| 401 | V | A | 0.0000 | |
| 402 | F | A | 0.0000 | |
| 403 | D | A | -2.9197 | |
| 404 | G | A | -1.4976 | |
| 405 | E | A | -1.8331 | |
| 406 | L | A | 0.0000 | |
| 407 | Q | A | -2.5737 | |
| 408 | E | A | -2.6855 | |
| 409 | G | A | -1.8101 | |
| 410 | R | A | -2.2033 | |
| 411 | V | A | 0.0000 | |
| 412 | L | A | 0.0000 | |
| 413 | I | A | 0.0000 | |
| 414 | V | A | 0.0000 | |
| 415 | P | A | 0.0000 | |
| 416 | Q | A | -1.2403 | |
| 417 | N | A | -1.1506 | |
| 418 | F | A | 0.0000 | |
| 419 | V | A | -0.1816 | |
| 420 | V | A | 0.0000 | |
| 421 | A | A | -0.4541 | |
| 422 | A | A | -0.9269 | |
| 423 | R | A | -1.9966 | |
| 424 | S | A | 0.0000 | |
| 425 | Q | A | -2.0492 | |
| 426 | S | A | -2.4490 | |
| 427 | D | A | -3.0532 | |
| 428 | N | A | -2.2563 | |
| 429 | F | A | 0.0000 | |
| 430 | E | A | 0.0000 | |
| 431 | Y | A | 0.0000 | |
| 432 | V | A | 0.0000 | |
| 433 | S | A | 0.0000 | |
| 434 | F | A | 0.0000 | |
| 435 | K | A | 0.0000 | |
| 436 | T | A | 0.0000 | |
| 437 | N | A | -0.7248 | |
| 438 | D | A | -0.3447 | |
| 439 | T | A | 0.0137 | |
| 440 | P | A | 0.2302 | |
| 441 | M | A | 1.0464 | |
| 442 | I | A | 0.9059 | |
| 443 | G | A | 0.5869 | |
| 444 | T | A | 0.0000 | |
| 445 | L | A | 0.6035 | |
| 446 | A | A | -0.1736 | |
| 447 | G | A | 0.0000 | |
| 448 | A | A | -1.3021 | |
| 449 | N | A | -1.2423 | |
| 450 | S | A | 0.0000 | |
| 451 | L | A | 0.9379 | |
| 452 | L | A | 0.6802 | |
| 453 | N | A | -0.4543 | |
| 454 | A | A | 0.1159 | |
| 455 | L | A | 0.2827 | |
| 456 | P | A | -0.5492 | |
| 457 | E | A | -1.8840 | |
| 458 | E | A | -2.3307 | |
| 459 | V | A | -0.4555 | |
| 460 | I | A | 0.0000 | |
| 461 | Q | A | -2.1441 | |
| 462 | H | A | -1.6557 | |
| 463 | T | A | -0.3786 | |
| 464 | F | A | -0.0903 | |
| 465 | N | A | -1.5558 | |
| 466 | L | A | -1.7881 | |
| 467 | K | A | -3.1641 | |
| 468 | S | A | -2.9247 | |
| 469 | Q | A | -2.8527 | |
| 470 | Q | A | -2.9695 | |
| 471 | A | A | 0.0000 | |
| 472 | R | A | -3.3554 | |
| 473 | Q | A | -3.0004 | |
| 474 | I | A | -1.0445 | |
| 475 | K | A | -1.7855 | |
| 476 | N | A | -2.5612 | |
| 477 | N | A | -2.4159 | |
| 478 | N | A | -1.4351 | |
| 479 | P | A | -1.2616 | |
| 480 | F | A | -0.6649 | |
| 481 | K | A | -1.1204 | |
| 482 | F | A | -0.0523 | |
| 483 | L | A | 0.0000 | |
| 484 | V | A | -0.4892 | |
| 485 | P | A | 0.0000 | |
| 486 | P | A | -2.1145 | |
| 487 | Q | A | -2.6394 | |
| 488 | E | A | -3.0654 | |
| 489 | S | A | -2.3987 | |
| 490 | Q | A | -2.2419 | |
| 491 | K | A | -2.8454 | |
| 492 | R | A | -2.5857 | |
| 493 | A | A | -0.8510 | |
| 494 | V | A | 0.6927 | |
| 495 | A | A | -0.0959 |
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 | -0.6394 | 8.5036 | View | CSV | PDB |
| 4.5 | -0.7197 | 8.5036 | View | CSV | PDB |
| 5.0 | -0.8218 | 8.5036 | View | CSV | PDB |
| 5.5 | -0.9266 | 8.5036 | View | CSV | PDB |
| 6.0 | -1.0141 | 8.5036 | View | CSV | PDB |
| 6.5 | -1.0703 | 8.5036 | View | CSV | PDB |
| 7.0 | -1.0921 | 8.5036 | View | CSV | PDB |
| 7.5 | -1.0879 | 8.5036 | View | CSV | PDB |
| 8.0 | -1.0686 | 8.5036 | View | CSV | PDB |
| 8.5 | -1.0397 | 8.5036 | View | CSV | PDB |
| 9.0 | -1.0025 | 8.5036 | 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