| Chain sequence(s) |
A: MAINPSLLFLSLLFLFNGCLARQTFSSQQSQNECQINRLRASAPQTRIRSEAGTTEWWNPNCQQLRCAGVSVMRQTIEPNGLVLPSFTNAPQLLYIVQGRGIQGIVMPGCAETFQDSQQWQHQSRGRFQDQHQKVRRFRQGDIIALPQGVVHWSYNDGNERVVTINLLDTGNSANQLDNIPRRFHLAGNPEEEQRQLRRLAQQMQGRSERGEESEEEEGEGEEEEEEDNPSRRSRHQEEEEQGRESSSCNNLLCAFDRNFLAQAFNVDHDIIRKIQRVRGNRGTIIRVRDRLQVVTPPRMEEEEREERQQEQRYRHTRGGSQDNGLEETFCSMRIKENLADPERADIFNPQAGRISTLNRFNLPILQRLELSAERGVLYNRAGLIPQWNVNAHKILYMLRGCARVQVVNHNGDAVFDDNVEQGQLLTVPQNFAFMKQAGNEGAEWISFFTNSEATNTPMAGSVSFMRALPEEVVAASYQVSREDARRIKFNNKNTFFFTPSQSERRADA
input PDB |
| Selected Chain(s) | A |
| Distance of aggregation | 5 Å |
| FoldX usage | Yes |
| pH calculations | Yes |
| alphaCutter usage |
A: MAINPSLLFLSLLFLFNGCLARQTFSSQQSQNECQINRLRASAPQTRIRSEAGTTEWWNPNCQQLRCAGVSVMRQTIEPNGLVLPSFTNAPQLLYIVQGRGIQGIVMPGCAETFQDSQQWQHQSRGRFQDQHQKVRRFRQGDIIALPQGVVHWSYNDGNERVVTINLLDTGNSANQLDNIPRRFHLAGNPEEEQRQLRRLAQQMQGRSERGEE SEEEEGEGEEEEEEDNP SRRSRHQEEEEQGRESSSCNNLLCAFDRNFLAQAFNVDHDIIRKIQRVRGNRGTIIRVRDRLQVVTPPRMEEEEREERQQEQRYRHTRGGSQDNGLEETFCSMRIKENLADPERADIFNPQAGRISTLNRFNLPILQRLELSAERGVLYNRAGLIPQWNVNAHKILYMLRGCARVQVVNHNGDAVFDDNVEQGQLLTVPQNFAFMKQAGNEGAEWISFFTNSEATNTPMAGSVSFMRALPEEVVAASYQVSREDARRIKFNNKNTFFFTPSQSERRADA(Red indicates removed residues) |
| Dynamic mode | No |
| Automated mutations | No |
| Downloads | Download all the data |
| Simulation log |
[INFO] Logger: Verbosity set to: 2 - [INFO] (00:00:01)
[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: Running AlphaCutter (00:00:01)
[INFO] PDB-Info: The input structure is globular. Max score is recommended for pH analysis. (00:00:14)
[INFO] FoldX: Starting FoldX energy minimization (00:00:14)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:10:09)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/64e5df7b5cc67c8/tmp/folded.pdb (00:10:09)
[INFO] Main: Simulation completed successfully. (00:14:41)
|
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 | 1.0640 | |
| 2 | A | A | 0.6134 | |
| 3 | I | A | 1.7925 | |
| 4 | N | A | -0.9530 | |
| 5 | P | A | -0.5158 | |
| 6 | S | A | 0.0170 | |
| 7 | L | A | 1.7850 | |
| 8 | L | A | 2.1714 | |
| 9 | F | A | 2.3921 | |
| 10 | L | A | 1.2779 | |
| 11 | S | A | 0.1640 | |
| 12 | L | A | 1.0977 | |
| 13 | L | A | 1.1294 | |
| 14 | F | A | 2.3230 | |
| 15 | L | A | 2.2374 | |
| 16 | F | A | 1.9880 | |
| 17 | N | A | -1.0089 | |
| 18 | G | A | -0.5619 | |
| 19 | C | A | 0.9519 | |
| 20 | L | A | 1.7010 | |
| 21 | A | A | 0.0904 | |
| 22 | R | A | -2.0616 | |
| 23 | Q | A | -1.5639 | |
| 24 | T | A | 0.0612 | |
| 25 | F | A | 1.8897 | |
| 26 | S | A | 0.1705 | |
| 27 | S | A | -0.3571 | |
| 28 | Q | A | -1.3653 | |
| 29 | Q | A | -1.0626 | |
| 30 | S | A | -0.5798 | |
| 31 | Q | A | -1.4635 | |
| 32 | N | A | -1.5350 | |
| 33 | E | A | -0.4658 | |
| 34 | C | A | -0.0596 | |
| 35 | Q | A | -1.1619 | |
| 36 | I | A | 0.0000 | |
| 37 | N | A | -1.6028 | |
| 38 | R | A | -2.0717 | |
| 39 | L | A | 0.0000 | |
| 40 | R | A | -1.8441 | |
| 41 | A | A | 0.0000 | |
| 42 | S | A | -0.0178 | |
| 43 | A | A | 0.0130 | |
| 44 | P | A | -0.2478 | |
| 45 | Q | A | -1.2068 | |
| 46 | T | A | -0.5548 | |
| 47 | R | A | -1.8453 | |
| 48 | I | A | 0.0000 | |
| 49 | R | A | -1.8451 | |
| 50 | S | A | 0.0000 | |
| 51 | E | A | -0.9574 | |
| 52 | A | A | 0.0000 | |
| 53 | G | A | -0.0484 | |
| 54 | T | A | -0.2385 | |
| 55 | T | A | 0.0000 | |
| 56 | E | A | 0.0000 | |
| 57 | W | A | 0.0000 | |
| 58 | W | A | 0.0000 | |
| 59 | N | A | -0.3407 | |
| 60 | P | A | 0.0000 | |
| 61 | N | A | -0.0933 | |
| 62 | C | A | 0.0546 | |
| 63 | Q | A | -0.6063 | |
| 64 | Q | A | 0.0000 | |
| 65 | L | A | 0.0000 | |
| 66 | R | A | -0.7219 | |
| 67 | C | A | 0.0000 | |
| 68 | A | A | 0.0000 | |
| 69 | G | A | -0.0939 | |
| 70 | V | A | 0.0000 | |
| 71 | S | A | 0.0000 | |
| 72 | V | A | 0.0000 | |
| 73 | M | A | 0.0000 | |
| 74 | R | A | -0.2739 | |
| 75 | Q | A | 0.0000 | |
| 76 | T | A | 0.0186 | |
| 77 | I | A | 0.0000 | |
| 78 | E | A | -0.7640 | |
| 79 | P | A | -0.2479 | |
| 80 | N | A | -0.3313 | |
| 81 | G | A | 0.0000 | |
| 82 | L | A | 0.1763 | |
| 83 | V | A | 0.0000 | |
| 84 | L | A | 0.0000 | |
| 85 | P | A | -0.0419 | |
| 86 | S | A | 0.0000 | |
| 87 | F | A | 0.4017 | |
| 88 | T | A | 0.0000 | |
| 89 | N | A | 0.0000 | |
| 90 | A | A | 0.0000 | |
| 91 | P | A | 0.0000 | |
| 92 | Q | A | 0.0000 | |
| 93 | L | A | 0.0000 | |
| 94 | L | A | 0.0000 | |
| 95 | Y | A | 0.0000 | |
| 96 | I | A | 0.0000 | |
| 97 | V | A | 0.1520 | |
| 98 | Q | A | -0.5884 | |
| 99 | G | A | -0.3619 | |
| 100 | R | A | -1.2253 | |
| 101 | G | A | 0.0000 | |
| 102 | I | A | 0.0000 | |
| 103 | Q | A | 0.0000 | |
| 104 | G | A | 0.0000 | |
| 105 | I | A | 0.0000 | |
| 106 | V | A | 0.8683 | |
| 107 | M | A | 0.0000 | |
| 108 | P | A | -0.3391 | |
| 109 | G | A | -0.4998 | |
| 110 | C | A | -0.0063 | |
| 111 | A | A | -0.1949 | |
| 112 | E | A | -1.4110 | |
| 113 | T | A | -0.2680 | |
| 114 | F | A | -0.0253 | |
| 115 | Q | A | -1.5920 | |
| 116 | D | A | -1.7499 | |
| 117 | S | A | -0.7005 | |
| 118 | Q | A | -1.4516 | |
| 119 | Q | A | -1.2015 | |
| 120 | W | A | 0.7610 | |
| 121 | Q | A | -1.1673 | |
| 122 | H | A | -1.4196 | |
| 123 | Q | A | -1.4113 | |
| 124 | S | A | -0.7583 | |
| 125 | R | A | -1.9657 | |
| 126 | G | A | -1.1212 | |
| 127 | R | A | -1.8404 | |
| 128 | F | A | -0.0753 | |
| 129 | Q | A | -1.2439 | |
| 130 | D | A | -1.1543 | |
| 131 | Q | A | -1.5134 | |
| 132 | H | A | -0.6040 | |
| 133 | Q | A | -0.5098 | |
| 134 | K | A | -0.6439 | |
| 135 | V | A | 0.0000 | |
| 136 | R | A | -0.3024 | |
| 137 | R | A | -0.3937 | |
| 138 | F | A | 0.0000 | |
| 139 | R | A | -2.1431 | |
| 140 | Q | A | -1.2519 | |
| 141 | G | A | 0.0000 | |
| 142 | D | A | 0.0000 | |
| 143 | I | A | 0.0000 | |
| 144 | I | A | 0.0000 | |
| 145 | A | A | 0.0000 | |
| 146 | L | A | 0.0000 | |
| 147 | P | A | 0.0000 | |
| 148 | Q | A | -0.5050 | |
| 149 | G | A | -0.4111 | |
| 150 | V | A | 0.0000 | |
| 151 | V | A | 0.3042 | |
| 152 | H | A | 0.0000 | |
| 153 | W | A | 0.1602 | |
| 154 | S | A | 0.0000 | |
| 155 | Y | A | 0.0000 | |
| 156 | N | A | 0.0000 | |
| 157 | D | A | -0.2219 | |
| 158 | G | A | -0.3283 | |
| 159 | N | A | -1.6101 | |
| 160 | E | A | -2.3419 | |
| 161 | R | A | -2.0132 | |
| 162 | V | A | 0.0000 | |
| 163 | V | A | 0.2085 | |
| 164 | T | A | 0.0000 | |
| 165 | I | A | 0.0000 | |
| 166 | N | A | 0.0000 | |
| 167 | L | A | 0.0000 | |
| 168 | L | A | 0.0000 | |
| 169 | D | A | 0.0000 | |
| 170 | T | A | 0.0000 | |
| 171 | G | A | -0.2528 | |
| 172 | N | A | -0.2036 | |
| 173 | S | A | -0.2337 | |
| 174 | A | A | -0.0519 | |
| 175 | N | A | -0.3440 | |
| 176 | Q | A | -0.9437 | |
| 177 | L | A | 1.1574 | |
| 178 | D | A | -0.7875 | |
| 179 | N | A | -0.6944 | |
| 180 | I | A | 0.1119 | |
| 181 | P | A | 0.0000 | |
| 182 | R | A | -0.3843 | |
| 183 | R | A | 0.0000 | |
| 184 | F | A | 0.5114 | |
| 185 | H | A | 0.0000 | |
| 186 | L | A | 0.4696 | |
| 187 | A | A | 0.0992 | |
| 188 | G | A | 0.0000 | |
| 189 | N | A | -0.1416 | |
| 190 | P | A | 0.0000 | |
| 191 | E | A | -1.1093 | |
| 192 | E | A | -1.9604 | |
| 193 | E | A | 0.0000 | |
| 194 | Q | A | -0.4933 | |
| 195 | R | A | -1.9151 | |
| 196 | Q | A | -0.5647 | |
| 197 | L | A | 0.0000 | |
| 198 | R | A | -2.1753 | |
| 199 | R | A | -2.1753 | |
| 200 | L | A | 0.0000 | |
| 201 | A | A | 0.0000 | |
| 202 | Q | A | -1.3103 | |
| 203 | Q | A | -0.8037 | |
| 204 | M | A | -0.1511 | |
| 205 | Q | A | -1.1888 | |
| 206 | G | A | -0.6708 | |
| 207 | R | A | -1.9050 | |
| 208 | S | A | -0.8684 | |
| 209 | E | A | -2.1847 | |
| 210 | R | A | -2.2500 | |
| 211 | G | A | -1.1262 | |
| 212 | E | A | -2.2270 | |
| 213 | E | A | -2.1798 | |
| 214 | S | A | -0.5337 | |
| 232 | R | A | -2.1682 | |
| 233 | R | A | -2.2063 | |
| 234 | S | A | -0.8764 | |
| 235 | R | A | -2.0594 | |
| 236 | H | A | -1.5329 | |
| 237 | Q | A | -1.6984 | |
| 238 | E | A | -2.3550 | |
| 239 | E | A | -2.4616 | |
| 240 | E | A | -2.4615 | |
| 241 | E | A | -2.3548 | |
| 242 | Q | A | -1.5767 | |
| 243 | G | A | -0.8544 | |
| 244 | R | A | -2.2739 | |
| 245 | E | A | -2.2154 | |
| 246 | S | A | -0.7742 | |
| 247 | S | A | -0.2639 | |
| 248 | S | A | 0.0154 | |
| 249 | C | A | 0.6170 | |
| 250 | N | A | 0.0000 | |
| 251 | N | A | 0.0000 | |
| 252 | L | A | 0.5087 | |
| 253 | L | A | 0.3378 | |
| 254 | C | A | 0.1641 | |
| 255 | A | A | 0.2754 | |
| 256 | F | A | 0.7795 | |
| 257 | D | A | -1.6681 | |
| 258 | R | A | -1.3387 | |
| 259 | N | A | -1.0632 | |
| 260 | F | A | 1.7090 | |
| 261 | L | A | 0.0000 | |
| 262 | A | A | 0.0000 | |
| 263 | Q | A | -1.3255 | |
| 264 | A | A | 0.1059 | |
| 265 | F | A | 1.2485 | |
| 266 | N | A | -1.0371 | |
| 267 | V | A | 0.0308 | |
| 268 | D | A | -1.7751 | |
| 269 | H | A | -1.0315 | |
| 270 | D | A | -1.1593 | |
| 271 | I | A | 0.9625 | |
| 272 | I | A | 0.0000 | |
| 273 | R | A | -2.1137 | |
| 274 | K | A | -1.8744 | |
| 275 | I | A | 0.4057 | |
| 276 | Q | A | 0.0000 | |
| 277 | R | A | -1.1184 | |
| 278 | V | A | -0.1323 | |
| 279 | R | A | -1.8204 | |
| 280 | G | A | -0.8594 | |
| 281 | N | A | -1.4628 | |
| 282 | R | A | -1.0935 | |
| 283 | G | A | -0.2077 | |
| 284 | T | A | 0.0000 | |
| 285 | I | A | 0.0000 | |
| 286 | I | A | 0.1887 | |
| 287 | R | A | -0.6044 | |
| 288 | V | A | -0.1837 | |
| 289 | R | A | -2.1246 | |
| 290 | D | A | -2.4651 | |
| 291 | R | A | -2.1226 | |
| 292 | L | A | -0.3006 | |
| 293 | Q | A | -1.1038 | |
| 294 | V | A | 0.0892 | |
| 295 | V | A | 0.2340 | |
| 296 | T | A | -0.0080 | |
| 297 | P | A | -0.1403 | |
| 298 | P | A | -0.5909 | |
| 299 | R | A | -1.8699 | |
| 300 | M | A | -0.5545 | |
| 301 | E | A | -1.9660 | |
| 302 | E | A | -1.5634 | |
| 303 | E | A | -2.2813 | |
| 304 | E | A | -1.4124 | |
| 305 | R | A | -2.3100 | |
| 306 | E | A | -2.6621 | |
| 307 | E | A | -2.1848 | |
| 308 | R | A | -0.7633 | |
| 309 | Q | A | -1.2506 | |
| 310 | Q | A | -0.9131 | |
| 311 | E | A | -0.7027 | |
| 312 | Q | A | -1.4213 | |
| 313 | R | A | -1.7891 | |
| 314 | Y | A | 0.7814 | |
| 315 | R | A | -1.0794 | |
| 316 | H | A | -1.2059 | |
| 317 | T | A | -0.5825 | |
| 318 | R | A | -1.9420 | |
| 319 | G | A | -0.8876 | |
| 320 | G | A | -0.5901 | |
| 321 | S | A | -0.5186 | |
| 322 | Q | A | -1.5620 | |
| 323 | D | A | -2.2388 | |
| 324 | N | A | -1.6520 | |
| 325 | G | A | -0.2866 | |
| 326 | L | A | 1.1389 | |
| 327 | E | A | -0.7453 | |
| 328 | E | A | -1.9481 | |
| 329 | T | A | -0.2285 | |
| 330 | F | A | 0.8337 | |
| 331 | C | A | 0.1275 | |
| 332 | S | A | -0.0884 | |
| 333 | M | A | 0.0786 | |
| 334 | R | A | -0.2891 | |
| 335 | I | A | 0.0000 | |
| 336 | K | A | -0.1946 | |
| 337 | E | A | 0.0000 | |
| 338 | N | A | -0.2975 | |
| 339 | L | A | 0.0000 | |
| 340 | A | A | -0.1484 | |
| 341 | D | A | -0.9039 | |
| 342 | P | A | -0.6956 | |
| 343 | E | A | -1.9573 | |
| 344 | R | A | -0.8762 | |
| 345 | A | A | -0.4089 | |
| 346 | D | A | -1.7150 | |
| 347 | I | A | 0.3625 | |
| 348 | F | A | 1.5581 | |
| 349 | N | A | 0.0211 | |
| 350 | P | A | -0.5085 | |
| 351 | Q | A | -1.2440 | |
| 352 | A | A | 0.0000 | |
| 353 | G | A | 0.0000 | |
| 354 | R | A | 0.0247 | |
| 355 | I | A | 0.0000 | |
| 356 | S | A | 0.0000 | |
| 357 | T | A | -0.0208 | |
| 358 | L | A | 0.0000 | |
| 359 | N | A | -0.3426 | |
| 360 | R | A | -0.2009 | |
| 361 | F | A | 1.7862 | |
| 362 | N | A | -0.0271 | |
| 363 | L | A | 0.0000 | |
| 364 | P | A | -0.2605 | |
| 365 | I | A | 0.0000 | |
| 366 | L | A | 0.0000 | |
| 367 | Q | A | -1.5299 | |
| 368 | R | A | -2.0595 | |
| 369 | L | A | 0.0000 | |
| 370 | E | A | -1.1980 | |
| 371 | L | A | 0.0000 | |
| 372 | S | A | 0.0000 | |
| 373 | A | A | 0.0000 | |
| 374 | E | A | 0.0000 | |
| 375 | R | A | 0.0000 | |
| 376 | G | A | 0.0000 | |
| 377 | V | A | 0.1625 | |
| 378 | L | A | 0.0000 | |
| 379 | Y | A | 0.2651 | |
| 380 | N | A | -1.0448 | |
| 381 | R | A | -0.5683 | |
| 382 | A | A | 0.0000 | |
| 383 | G | A | 0.0000 | |
| 384 | L | A | 0.0000 | |
| 385 | I | A | 0.0000 | |
| 386 | P | A | -0.0325 | |
| 387 | Q | A | 0.0000 | |
| 388 | W | A | 0.2183 | |
| 389 | N | A | 0.0000 | |
| 390 | V | A | 0.5774 | |
| 391 | N | A | -0.2900 | |
| 392 | A | A | 0.0000 | |
| 393 | H | A | -0.1942 | |
| 394 | K | A | 0.0000 | |
| 395 | I | A | 0.0000 | |
| 396 | L | A | 0.0000 | |
| 397 | Y | A | 0.0000 | |
| 398 | M | A | 0.0000 | |
| 399 | L | A | 0.0000 | |
| 400 | R | A | -1.8790 | |
| 401 | G | A | -0.3807 | |
| 402 | C | A | -0.0698 | |
| 403 | A | A | 0.0000 | |
| 404 | R | A | -1.8583 | |
| 405 | V | A | 0.0000 | |
| 406 | Q | A | -0.4945 | |
| 407 | V | A | 0.0000 | |
| 408 | V | A | 0.4626 | |
| 409 | N | A | -0.2940 | |
| 410 | H | A | -1.2538 | |
| 411 | N | A | -1.5335 | |
| 412 | G | A | -0.8415 | |
| 413 | D | A | -0.8838 | |
| 414 | A | A | -0.0245 | |
| 415 | V | A | 0.0000 | |
| 416 | F | A | 0.0000 | |
| 417 | D | A | -1.2379 | |
| 418 | D | A | -1.6490 | |
| 419 | N | A | -1.3188 | |
| 420 | V | A | 0.0000 | |
| 421 | E | A | -1.7169 | |
| 422 | Q | A | -1.4878 | |
| 423 | G | A | -0.3188 | |
| 424 | Q | A | -0.1699 | |
| 425 | L | A | 0.0000 | |
| 426 | L | A | 0.0000 | |
| 427 | T | A | 0.0000 | |
| 428 | V | A | 0.0000 | |
| 429 | P | A | 0.0000 | |
| 430 | Q | A | -0.7400 | |
| 431 | N | A | -0.9087 | |
| 432 | F | A | 0.0000 | |
| 433 | A | A | 0.0378 | |
| 434 | F | A | 0.0000 | |
| 435 | M | A | 0.2335 | |
| 436 | K | A | 0.0000 | |
| 437 | Q | A | -0.4271 | |
| 438 | A | A | 0.0000 | |
| 439 | G | A | -0.3156 | |
| 440 | N | A | -1.7115 | |
| 441 | E | A | -2.0468 | |
| 442 | G | A | 0.0000 | |
| 443 | A | A | 0.0000 | |
| 444 | E | A | -0.3832 | |
| 445 | W | A | 0.0000 | |
| 446 | I | A | 0.0000 | |
| 447 | S | A | 0.0000 | |
| 448 | F | A | 0.0000 | |
| 449 | F | A | 0.0000 | |
| 450 | T | A | -0.0676 | |
| 451 | N | A | -0.4438 | |
| 452 | S | A | 0.0000 | |
| 453 | E | A | -0.6072 | |
| 454 | A | A | -0.1077 | |
| 455 | T | A | -0.0942 | |
| 456 | N | A | -0.2887 | |
| 457 | T | A | -0.0629 | |
| 458 | P | A | 0.0000 | |
| 459 | M | A | 0.2540 | |
| 460 | A | A | 0.0600 | |
| 461 | G | A | 0.0000 | |
| 462 | S | A | 0.2130 | |
| 463 | V | A | 1.5854 | |
| 464 | S | A | 0.0000 | |
| 465 | F | A | 0.6847 | |
| 466 | M | A | 0.0000 | |
| 467 | R | A | -0.4907 | |
| 468 | A | A | 0.0556 | |
| 469 | L | A | 0.4621 | |
| 470 | P | A | -0.2983 | |
| 471 | E | A | -1.0568 | |
| 472 | E | A | -1.0689 | |
| 473 | V | A | 0.9018 | |
| 474 | V | A | 0.0000 | |
| 475 | A | A | 0.0000 | |
| 476 | A | A | 0.0277 | |
| 477 | S | A | 0.0213 | |
| 478 | Y | A | 0.7744 | |
| 479 | Q | A | -0.9140 | |
| 480 | V | A | 0.3344 | |
| 481 | S | A | -0.3516 | |
| 482 | R | A | -2.1945 | |
| 483 | E | A | -2.3868 | |
| 484 | D | A | -1.8336 | |
| 485 | A | A | 0.0000 | |
| 486 | R | A | -1.0936 | |
| 487 | R | A | -1.9154 | |
| 488 | I | A | 0.8491 | |
| 489 | K | A | 0.0000 | |
| 490 | F | A | 0.9439 | |
| 491 | N | A | -1.1146 | |
| 492 | N | A | -0.8158 | |
| 493 | K | A | -1.8202 | |
| 494 | N | A | -0.6981 | |
| 495 | T | A | -0.0525 | |
| 496 | F | A | 0.2735 | |
| 497 | F | A | 0.0000 | |
| 498 | F | A | 0.3903 | |
| 499 | T | A | 0.0507 | |
| 500 | P | A | 0.0000 | |
| 501 | S | A | -0.3235 | |
| 502 | Q | A | -1.2556 | |
| 503 | S | A | -0.6139 | |
| 504 | E | A | -1.3912 | |
| 505 | R | A | -2.2753 | |
| 506 | R | A | -2.1479 | |
| 507 | A | A | -0.5596 | |
| 508 | D | A | -1.5832 | |
| 509 | A | A | -0.2267 |
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 | -0.3914 | 4.7388 | View | CSV | PDB |
| 4.5 | -0.4206 | 4.7388 | View | CSV | PDB |
| 5.0 | -0.4584 | 4.7388 | View | CSV | PDB |
| 5.5 | -0.4992 | 4.7388 | View | CSV | PDB |
| 6.0 | -0.5375 | 4.7388 | View | CSV | PDB |
| 6.5 | -0.5688 | 4.7388 | View | CSV | PDB |
| 7.0 | -0.5912 | 4.7388 | View | CSV | PDB |
| 7.5 | -0.6063 | 4.7388 | View | CSV | PDB |
| 8.0 | -0.617 | 4.7388 | View | CSV | PDB |
| 8.5 | -0.6245 | 4.7388 | View | CSV | PDB |
| 9.0 | -0.6289 | 4.7388 | 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