| Chain sequence(s) |
A: MADVNLPPSDSVDNRLPEKSTSSSPPPPPPSSSLPQQEQEQDQQQLPLRRERDSRERRDERDIERPPPNRRERDRSPLPPPRRDYKRRPSLSPPPPYRDRRHSPPQRRSPPQKRYRRDDNGYDGRRGSPRGGYGPPDRRFGYDHGGGYDREMGGRPGYGDERPHGRFMGRYQDWEGGRGGYGDASNSGNPQRDGLMSYKQFIQELEDDILPSEAERRYQEYKSEYITTQKRAFFNTHKEEDWLKNKYHPTNLLSVIERRNDLAQKVAKDFLLDLQSGTLDLGPAVTALNKSGRTSEPNSEDEAAGVGKRKRHGMGGAKENELLSAAPKAPSFTSDPKRILTDVEQTQALVRKLDSEKKIEENVLQGSETEKSGREKLHSGSTGPVVIIRGLTSVKGLEGVELLDTLVTYLWRVHGLDYYGKVETNEAKGLRHVRAEGKVSDAKGDENESKFDSHWQERLKGQDPLEVMAAKEKIDAAATEALDPHVRKIRDEKYGWKYGCGAKGCTKLFHAAEFVYKHLKLKHTELVTELTTKVREELYFQNYMNDPNAPGGQPATQQSGPRDRPIRRKPSMENRLRDDRGGRRERDGRANGNDRNDRSEDQQRGDNDGGNPGEVGYDAFGGQGGVHVPPFLSDINPPPMLMPVPGAGPLGPFVPAPPEVAMQMFRDPSGPNPPFEGSGRGGPAPFLLSPAFRQDPRRLRSYQDLDAPEEEVTVIDYRSL
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 partially or entirely disordered. Average 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 (00:09:33)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/b34d7723628dd0b/tmp/folded.pdb (00:09:33)
[INFO] Main: Simulation completed successfully. (00:12:39)
|
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 | 0.8858 | |
| 2 | A | A | 0.1963 | |
| 3 | D | A | -0.7079 | |
| 4 | V | A | 0.6341 | |
| 5 | N | A | -0.1249 | |
| 6 | L | A | 0.9008 | |
| 7 | P | A | 0.1082 | |
| 8 | P | A | -0.4917 | |
| 9 | S | A | -1.2933 | |
| 10 | D | A | -1.6850 | |
| 11 | S | A | -0.7095 | |
| 12 | V | A | -0.1393 | |
| 13 | D | A | -1.9371 | |
| 14 | N | A | -2.2444 | |
| 15 | R | A | -2.1606 | |
| 16 | L | A | -0.3812 | |
| 17 | P | A | -1.1228 | |
| 18 | E | A | -2.6345 | |
| 19 | K | A | -2.6503 | |
| 20 | S | A | -1.5269 | |
| 21 | T | A | -0.7040 | |
| 22 | S | A | -0.6485 | |
| 23 | S | A | -0.5158 | |
| 24 | S | A | -0.5715 | |
| 25 | P | A | -0.6087 | |
| 26 | P | A | -0.6600 | |
| 27 | P | A | -0.6876 | |
| 28 | P | A | -0.6744 | |
| 29 | P | A | -0.6707 | |
| 30 | P | A | -0.6707 | |
| 31 | S | A | -0.4311 | |
| 32 | S | A | -0.1905 | |
| 33 | S | A | 0.1102 | |
| 34 | L | A | 0.7957 | |
| 35 | P | A | -0.5121 | |
| 36 | Q | A | -2.1681 | |
| 37 | Q | A | -3.0861 | |
| 38 | E | A | -4.3469 | |
| 39 | Q | A | -4.0655 | |
| 40 | E | A | -4.2969 | |
| 41 | Q | A | -4.1389 | |
| 42 | D | A | -4.3043 | |
| 43 | Q | A | -3.2916 | |
| 44 | Q | A | -2.8539 | |
| 45 | Q | A | -1.5072 | |
| 46 | L | A | 0.3508 | |
| 47 | P | A | 0.1654 | |
| 48 | L | A | -0.0495 | |
| 49 | R | A | -2.5476 | |
| 50 | R | A | -3.8593 | |
| 51 | E | A | -4.3176 | |
| 52 | R | A | -4.6370 | |
| 53 | D | A | -4.7529 | |
| 54 | S | A | -3.8322 | |
| 55 | R | A | -4.8219 | |
| 56 | E | A | -5.4080 | |
| 57 | R | A | -5.7562 | |
| 58 | R | A | -5.8522 | |
| 59 | D | A | -5.4999 | |
| 60 | E | A | -5.0992 | |
| 61 | R | A | -4.9263 | |
| 62 | D | A | -3.9969 | |
| 63 | I | A | -1.5696 | |
| 64 | E | A | -2.9830 | |
| 65 | R | A | -3.0458 | |
| 66 | P | A | -1.8197 | |
| 67 | P | A | -1.6558 | |
| 68 | P | A | -1.9566 | |
| 69 | N | A | -3.1578 | |
| 70 | R | A | -4.0376 | |
| 71 | R | A | -4.6373 | |
| 72 | E | A | -4.9137 | |
| 73 | R | A | -4.6271 | |
| 74 | D | A | -4.3713 | |
| 75 | R | A | -3.5444 | |
| 76 | S | A | -1.3751 | |
| 77 | P | A | -0.0330 | |
| 78 | L | A | 1.1603 | |
| 79 | P | A | 0.3514 | |
| 80 | P | A | -0.4974 | |
| 81 | P | A | -1.5356 | |
| 82 | R | A | -3.3265 | |
| 83 | R | A | -3.5710 | |
| 84 | D | A | -2.8632 | |
| 85 | Y | A | -1.1762 | |
| 86 | K | A | -2.9945 | |
| 87 | R | A | -3.5040 | |
| 88 | R | A | -3.4453 | |
| 89 | P | A | -1.3091 | |
| 90 | S | A | 0.0480 | |
| 91 | L | A | 1.2199 | |
| 92 | S | A | 0.3121 | |
| 93 | P | A | -0.2020 | |
| 94 | P | A | -0.6128 | |
| 95 | P | A | -0.3107 | |
| 96 | P | A | -0.2300 | |
| 97 | Y | A | -0.3872 | |
| 98 | R | A | -2.4857 | |
| 99 | D | A | -3.8033 | |
| 100 | R | A | -4.1182 | |
| 101 | R | A | -3.7170 | |
| 102 | H | A | -2.4807 | |
| 103 | S | A | -1.2721 | |
| 104 | P | A | -0.9495 | |
| 105 | P | A | -1.6223 | |
| 106 | Q | A | -2.6621 | |
| 107 | R | A | -3.4159 | |
| 108 | R | A | -3.1734 | |
| 109 | S | A | -1.6782 | |
| 110 | P | A | -1.1413 | |
| 111 | P | A | -1.3565 | |
| 112 | Q | A | -2.5986 | |
| 113 | K | A | -3.2060 | |
| 114 | R | A | -2.7464 | |
| 115 | Y | A | -1.2715 | |
| 116 | R | A | -3.2439 | |
| 117 | R | A | -3.6830 | |
| 118 | D | A | -4.3935 | |
| 119 | D | A | -4.0662 | |
| 120 | N | A | -2.4979 | |
| 121 | G | A | -1.4513 | |
| 122 | Y | A | -0.2321 | |
| 123 | D | A | -1.7785 | |
| 124 | G | A | -2.2833 | |
| 125 | R | A | -3.4341 | |
| 126 | R | A | -3.1316 | |
| 127 | G | A | -2.0830 | |
| 128 | S | A | -1.3680 | |
| 129 | P | A | -1.4766 | |
| 130 | R | A | -2.3430 | |
| 131 | G | A | -1.3935 | |
| 132 | G | A | -0.5992 | |
| 133 | Y | A | 0.7200 | |
| 134 | G | A | -0.1349 | |
| 135 | P | A | -0.6834 | |
| 136 | P | A | -1.7081 | |
| 137 | D | A | -3.2030 | |
| 138 | R | A | -3.3319 | |
| 139 | R | A | -2.3272 | |
| 140 | F | A | 0.5470 | |
| 141 | G | A | 0.3101 | |
| 142 | Y | A | 0.3779 | |
| 143 | D | A | -1.5684 | |
| 144 | H | A | -1.9959 | |
| 145 | G | A | -1.7858 | |
| 146 | G | A | -0.8925 | |
| 147 | G | A | -0.6810 | |
| 148 | Y | A | -0.3679 | |
| 149 | D | A | -2.4088 | |
| 150 | R | A | -3.2144 | |
| 151 | E | A | -2.8101 | |
| 152 | M | A | -0.5552 | |
| 153 | G | A | -0.8637 | |
| 154 | G | A | -1.4692 | |
| 155 | R | A | -2.4126 | |
| 156 | P | A | -1.3674 | |
| 157 | G | A | -0.5149 | |
| 158 | Y | A | 0.4042 | |
| 159 | G | A | -1.4070 | |
| 160 | D | A | -2.9790 | |
| 161 | E | A | -3.7805 | |
| 162 | R | A | -3.5237 | |
| 163 | P | A | -2.0797 | |
| 164 | H | A | -2.0951 | |
| 165 | G | A | -1.5909 | |
| 166 | R | A | -1.1073 | |
| 167 | F | A | 1.4266 | |
| 168 | M | A | 1.1385 | |
| 169 | G | A | -0.2439 | |
| 170 | R | A | -1.3903 | |
| 171 | Y | A | -0.7514 | |
| 172 | Q | A | -1.7180 | |
| 173 | D | A | -2.0065 | |
| 174 | W | A | -0.9346 | |
| 175 | E | A | -1.9553 | |
| 176 | G | A | -1.8075 | |
| 177 | G | A | -2.0580 | |
| 178 | R | A | -2.3449 | |
| 179 | G | A | -1.4430 | |
| 180 | G | A | -0.7659 | |
| 181 | Y | A | 0.1825 | |
| 182 | G | A | -0.9157 | |
| 183 | D | A | -1.9772 | |
| 184 | A | A | -1.2042 | |
| 185 | S | A | -1.4520 | |
| 186 | N | A | -1.9881 | |
| 187 | S | A | -1.4054 | |
| 188 | G | A | -1.8976 | |
| 189 | N | A | -2.7595 | |
| 190 | P | A | -2.5009 | |
| 191 | Q | A | -3.2301 | |
| 192 | R | A | -3.6608 | |
| 193 | D | A | -3.3243 | |
| 194 | G | A | 0.0000 | |
| 195 | L | A | 0.0000 | |
| 196 | M | A | -0.8427 | |
| 197 | S | A | 0.0000 | |
| 198 | Y | A | -0.9374 | |
| 199 | K | A | -1.5703 | |
| 200 | Q | A | -1.3134 | |
| 201 | F | A | -0.9732 | |
| 202 | I | A | -1.2626 | |
| 203 | Q | A | -2.4060 | |
| 204 | E | A | -2.7142 | |
| 205 | L | A | -2.1556 | |
| 206 | E | A | -3.2615 | |
| 207 | D | A | -3.3791 | |
| 208 | D | A | -2.6619 | |
| 209 | I | A | -1.1158 | |
| 210 | L | A | -0.0814 | |
| 211 | P | A | -0.7005 | |
| 212 | S | A | -1.3900 | |
| 213 | E | A | -2.1432 | |
| 214 | A | A | 0.0000 | |
| 215 | E | A | -3.4772 | |
| 216 | R | A | -4.2543 | |
| 217 | R | A | -3.3316 | |
| 218 | Y | A | 0.0000 | |
| 219 | Q | A | -3.9337 | |
| 220 | E | A | -3.9658 | |
| 221 | Y | A | -2.5350 | |
| 222 | K | A | -2.1604 | |
| 223 | S | A | -2.1299 | |
| 224 | E | A | -2.5846 | |
| 225 | Y | A | -1.4230 | |
| 226 | I | A | -1.1541 | |
| 227 | T | A | -1.1026 | |
| 228 | T | A | -1.2171 | |
| 229 | Q | A | -1.5196 | |
| 230 | K | A | -1.3398 | |
| 231 | R | A | -1.7733 | |
| 232 | A | A | -1.1409 | |
| 233 | F | A | -0.8221 | |
| 234 | F | A | 0.0000 | |
| 235 | N | A | -1.9212 | |
| 236 | T | A | -1.3651 | |
| 237 | H | A | -1.9099 | |
| 238 | K | A | -2.5997 | |
| 239 | E | A | -3.1445 | |
| 240 | E | A | -2.7492 | |
| 241 | D | A | -2.8891 | |
| 242 | W | A | -1.4398 | |
| 243 | L | A | 0.0000 | |
| 244 | K | A | -2.1453 | |
| 245 | N | A | -1.4803 | |
| 246 | K | A | -1.5572 | |
| 247 | Y | A | 0.0000 | |
| 248 | H | A | -1.3411 | |
| 249 | P | A | 0.0000 | |
| 250 | T | A | -0.5458 | |
| 251 | N | A | -1.0073 | |
| 252 | L | A | 0.0000 | |
| 253 | L | A | -0.9431 | |
| 254 | S | A | -1.2458 | |
| 255 | V | A | 0.0000 | |
| 256 | I | A | 0.0000 | |
| 257 | E | A | -3.0470 | |
| 258 | R | A | -3.0445 | |
| 259 | R | A | -2.4431 | |
| 260 | N | A | -2.5273 | |
| 261 | D | A | -3.0731 | |
| 262 | L | A | -0.8600 | |
| 263 | A | A | 0.0000 | |
| 264 | Q | A | -2.7701 | |
| 265 | K | A | -2.6854 | |
| 266 | V | A | -1.5007 | |
| 267 | A | A | 0.0000 | |
| 268 | K | A | -2.9575 | |
| 269 | D | A | -2.7258 | |
| 270 | F | A | 0.0000 | |
| 271 | L | A | -1.0057 | |
| 272 | L | A | -0.4023 | |
| 273 | D | A | -1.1990 | |
| 274 | L | A | -0.8339 | |
| 275 | Q | A | -0.5875 | |
| 276 | S | A | -0.2720 | |
| 277 | G | A | -0.5472 | |
| 278 | T | A | -0.5034 | |
| 279 | L | A | -0.5190 | |
| 280 | D | A | -0.4551 | |
| 281 | L | A | -0.2226 | |
| 282 | G | A | 0.0000 | |
| 283 | P | A | 0.0000 | |
| 284 | A | A | 0.1878 | |
| 285 | V | A | -0.0833 | |
| 286 | T | A | 0.0147 | |
| 287 | A | A | 0.1814 | |
| 288 | L | A | 0.2516 | |
| 289 | N | A | -1.5069 | |
| 290 | K | A | -2.4254 | |
| 291 | S | A | -2.0040 | |
| 292 | G | A | -2.2116 | |
| 293 | R | A | -2.7403 | |
| 294 | T | A | -1.6367 | |
| 295 | S | A | -1.8080 | |
| 296 | E | A | -2.5815 | |
| 297 | P | A | -2.0211 | |
| 298 | N | A | -2.4853 | |
| 299 | S | A | -2.2382 | |
| 300 | E | A | -3.5200 | |
| 301 | D | A | -3.7309 | |
| 302 | E | A | -3.0204 | |
| 303 | A | A | -1.3048 | |
| 304 | A | A | -0.1399 | |
| 305 | G | A | 0.3474 | |
| 306 | V | A | 0.9974 | |
| 307 | G | A | -1.1233 | |
| 308 | K | A | -3.0562 | |
| 309 | R | A | -4.1972 | |
| 310 | K | A | -4.2130 | |
| 311 | R | A | -3.8113 | |
| 312 | H | A | -2.5388 | |
| 313 | G | A | -1.3731 | |
| 314 | M | A | -0.1551 | |
| 315 | G | A | -1.1349 | |
| 316 | G | A | -1.7899 | |
| 317 | A | A | -1.8235 | |
| 318 | K | A | -2.8081 | |
| 319 | E | A | -2.9348 | |
| 320 | N | A | -3.0634 | |
| 321 | E | A | -3.0898 | |
| 322 | L | A | -1.5488 | |
| 323 | L | A | -1.1336 | |
| 324 | S | A | -1.3282 | |
| 325 | A | A | -0.7270 | |
| 326 | A | A | 0.0000 | |
| 327 | P | A | -0.7142 | |
| 328 | K | A | -1.8234 | |
| 329 | A | A | 0.0000 | |
| 330 | P | A | -0.8655 | |
| 331 | S | A | -1.1625 | |
| 332 | F | A | -1.3238 | |
| 333 | T | A | 0.0000 | |
| 334 | S | A | -1.1393 | |
| 335 | D | A | -1.4938 | |
| 336 | P | A | -0.9148 | |
| 337 | K | A | -1.6357 | |
| 338 | R | A | 0.0000 | |
| 339 | I | A | -0.1843 | |
| 340 | L | A | -0.2776 | |
| 341 | T | A | -0.6467 | |
| 342 | D | A | 0.0000 | |
| 343 | V | A | 0.0000 | |
| 344 | E | A | -1.6704 | |
| 345 | Q | A | 0.0000 | |
| 346 | T | A | 0.0000 | |
| 347 | Q | A | 0.0000 | |
| 348 | A | A | -0.9999 | |
| 349 | L | A | 0.0000 | |
| 350 | V | A | 0.0000 | |
| 351 | R | A | -1.6024 | |
| 352 | K | A | -1.4114 | |
| 353 | L | A | 0.0000 | |
| 354 | D | A | 0.0000 | |
| 355 | S | A | -1.6446 | |
| 356 | E | A | -1.4581 | |
| 357 | K | A | 0.0000 | |
| 358 | K | A | -2.9095 | |
| 359 | I | A | -3.0472 | |
| 360 | E | A | -3.2395 | |
| 361 | E | A | -2.9511 | |
| 362 | N | A | 0.0000 | |
| 363 | V | A | 0.0901 | |
| 364 | L | A | 0.0000 | |
| 365 | Q | A | -1.3408 | |
| 366 | G | A | -0.6827 | |
| 367 | S | A | -1.4722 | |
| 368 | E | A | -3.0112 | |
| 369 | T | A | -2.5324 | |
| 370 | E | A | -3.7004 | |
| 371 | K | A | -3.5614 | |
| 372 | S | A | -2.7359 | |
| 373 | G | A | -3.1558 | |
| 374 | R | A | -3.7381 | |
| 375 | E | A | -3.3701 | |
| 376 | K | A | -2.5563 | |
| 377 | L | A | -0.5199 | |
| 378 | H | A | -1.0531 | |
| 379 | S | A | -0.8293 | |
| 380 | G | A | -0.9309 | |
| 381 | S | A | -0.6659 | |
| 382 | T | A | -0.3997 | |
| 383 | G | A | -0.5209 | |
| 384 | P | A | -0.4929 | |
| 385 | V | A | 0.4059 | |
| 386 | V | A | 0.0000 | |
| 387 | I | A | 0.9416 | |
| 388 | I | A | 0.0000 | |
| 389 | R | A | -0.8962 | |
| 390 | G | A | -0.1042 | |
| 391 | L | A | 1.1944 | |
| 392 | T | A | 0.3164 | |
| 393 | S | A | 0.0474 | |
| 394 | V | A | 0.6243 | |
| 395 | K | A | -1.1073 | |
| 396 | G | A | -0.7433 | |
| 397 | L | A | 0.0000 | |
| 398 | E | A | -1.8314 | |
| 399 | G | A | -0.7817 | |
| 400 | V | A | -0.2503 | |
| 401 | E | A | -1.9540 | |
| 402 | L | A | 0.0000 | |
| 403 | L | A | 0.0000 | |
| 404 | D | A | -0.5660 | |
| 405 | T | A | 0.0000 | |
| 406 | L | A | 0.0000 | |
| 407 | V | A | 0.0000 | |
| 408 | T | A | 0.0000 | |
| 409 | Y | A | 0.0000 | |
| 410 | L | A | 0.0000 | |
| 411 | W | A | 0.0000 | |
| 412 | R | A | 0.0000 | |
| 413 | V | A | 0.0000 | |
| 414 | H | A | 0.0000 | |
| 415 | G | A | 0.0000 | |
| 416 | L | A | 0.0000 | |
| 417 | D | A | 0.0000 | |
| 418 | Y | A | 0.0000 | |
| 419 | Y | A | 0.0000 | |
| 420 | G | A | -0.4791 | |
| 421 | K | A | -0.7299 | |
| 422 | V | A | 0.4753 | |
| 423 | E | A | -0.6088 | |
| 424 | T | A | -1.2512 | |
| 425 | N | A | -2.2723 | |
| 426 | E | A | -2.7642 | |
| 427 | A | A | -1.8452 | |
| 428 | K | A | -2.2554 | |
| 429 | G | A | -0.9053 | |
| 430 | L | A | 0.0780 | |
| 431 | R | A | 0.0000 | |
| 432 | H | A | -0.6289 | |
| 433 | V | A | -0.7715 | |
| 434 | R | A | -1.2255 | |
| 435 | A | A | -1.6337 | |
| 436 | E | A | -2.3699 | |
| 437 | G | A | -1.4838 | |
| 438 | K | A | -1.5491 | |
| 439 | V | A | 0.3094 | |
| 440 | S | A | -0.7836 | |
| 441 | D | A | -1.6423 | |
| 442 | A | A | -1.9256 | |
| 443 | K | A | -3.3520 | |
| 444 | G | A | -2.8869 | |
| 445 | D | A | -3.9597 | |
| 446 | E | A | -4.0996 | |
| 447 | N | A | -3.2484 | |
| 448 | E | A | -2.9959 | |
| 449 | S | A | -2.7694 | |
| 450 | K | A | -3.2573 | |
| 451 | F | A | 0.0000 | |
| 452 | D | A | -1.8568 | |
| 453 | S | A | -1.9248 | |
| 454 | H | A | -2.0109 | |
| 455 | W | A | 0.0000 | |
| 456 | Q | A | -2.1636 | |
| 457 | E | A | -2.9763 | |
| 458 | R | A | 0.0000 | |
| 459 | L | A | -1.8008 | |
| 460 | K | A | -2.7506 | |
| 461 | G | A | -1.9012 | |
| 462 | Q | A | -1.7835 | |
| 463 | D | A | 0.0000 | |
| 464 | P | A | -0.3114 | |
| 465 | L | A | -0.2903 | |
| 466 | E | A | -1.0320 | |
| 467 | V | A | 0.3569 | |
| 468 | M | A | 0.2953 | |
| 469 | A | A | 0.0000 | |
| 470 | A | A | -1.2511 | |
| 471 | K | A | -2.4070 | |
| 472 | E | A | -3.1618 | |
| 473 | K | A | -2.6246 | |
| 474 | I | A | 0.0000 | |
| 475 | D | A | -2.2005 | |
| 476 | A | A | -1.8935 | |
| 477 | A | A | -1.6434 | |
| 478 | A | A | 0.0000 | |
| 479 | T | A | -2.0339 | |
| 480 | E | A | -2.3676 | |
| 481 | A | A | -1.2951 | |
| 482 | L | A | 0.0000 | |
| 483 | D | A | -2.4378 | |
| 484 | P | A | -1.4573 | |
| 485 | H | A | -1.5292 | |
| 486 | V | A | -1.3979 | |
| 487 | R | A | -1.9699 | |
| 488 | K | A | -2.1863 | |
| 489 | I | A | -1.4079 | |
| 490 | R | A | -2.4333 | |
| 491 | D | A | -2.2019 | |
| 492 | E | A | -2.7896 | |
| 493 | K | A | -2.2579 | |
| 494 | Y | A | -0.5863 | |
| 495 | G | A | -1.0677 | |
| 496 | W | A | -0.8454 | |
| 497 | K | A | -0.9389 | |
| 498 | Y | A | -1.0314 | |
| 499 | G | A | 0.0000 | |
| 500 | C | A | 0.0000 | |
| 501 | G | A | -1.4785 | |
| 502 | A | A | 0.0000 | |
| 503 | K | A | -1.9798 | |
| 504 | G | A | -1.4590 | |
| 505 | C | A | -1.3094 | |
| 506 | T | A | -1.0529 | |
| 507 | K | A | -1.4230 | |
| 508 | L | A | -0.3671 | |
| 509 | F | A | 0.0000 | |
| 510 | H | A | -0.3930 | |
| 511 | A | A | -0.4195 | |
| 512 | A | A | -0.9874 | |
| 513 | E | A | -1.3319 | |
| 514 | F | A | 0.3574 | |
| 515 | V | A | 0.0000 | |
| 516 | Y | A | -1.0921 | |
| 517 | K | A | -1.5766 | |
| 518 | H | A | 0.0000 | |
| 519 | L | A | 0.0000 | |
| 520 | K | A | -1.3165 | |
| 521 | L | A | -0.4765 | |
| 522 | K | A | -1.8163 | |
| 523 | H | A | -1.7246 | |
| 524 | T | A | -1.5817 | |
| 525 | E | A | -2.4802 | |
| 526 | L | A | -1.6831 | |
| 527 | V | A | 0.0000 | |
| 528 | T | A | -1.8418 | |
| 529 | E | A | -2.3927 | |
| 530 | L | A | -1.3184 | |
| 531 | T | A | 0.0000 | |
| 532 | T | A | -1.9054 | |
| 533 | K | A | -2.7243 | |
| 534 | V | A | -1.8071 | |
| 535 | R | A | -1.9530 | |
| 536 | E | A | -2.6685 | |
| 537 | E | A | -2.7349 | |
| 538 | L | A | -1.6479 | |
| 539 | Y | A | 0.0000 | |
| 540 | F | A | -1.5348 | |
| 541 | Q | A | -1.6027 | |
| 542 | N | A | -1.0749 | |
| 543 | Y | A | 0.0000 | |
| 544 | M | A | -1.2324 | |
| 545 | N | A | -1.7917 | |
| 546 | D | A | -1.5717 | |
| 547 | P | A | -1.5020 | |
| 548 | N | A | -1.9072 | |
| 549 | A | A | 0.0000 | |
| 550 | P | A | -0.8156 | |
| 551 | G | A | -0.9384 | |
| 552 | G | A | -1.2438 | |
| 553 | Q | A | -1.5732 | |
| 554 | P | A | -0.9573 | |
| 555 | A | A | -0.8634 | |
| 556 | T | A | -1.0109 | |
| 557 | Q | A | -1.7922 | |
| 558 | Q | A | -1.6120 | |
| 559 | S | A | -1.5567 | |
| 560 | G | A | -1.8507 | |
| 561 | P | A | -2.3715 | |
| 562 | R | A | -3.5703 | |
| 563 | D | A | -3.4520 | |
| 564 | R | A | -3.1619 | |
| 565 | P | A | -1.7504 | |
| 566 | I | A | -0.4921 | |
| 567 | R | A | -2.5970 | |
| 568 | R | A | -3.1632 | |
| 569 | K | A | -2.8354 | |
| 570 | P | A | -1.8077 | |
| 571 | S | A | -1.1694 | |
| 572 | M | A | -0.7789 | |
| 573 | E | A | -2.3813 | |
| 574 | N | A | -2.7409 | |
| 575 | R | A | -2.4959 | |
| 576 | L | A | -1.3509 | |
| 577 | R | A | -3.3231 | |
| 578 | D | A | -3.7497 | |
| 579 | D | A | -4.0257 | |
| 580 | R | A | -3.8179 | |
| 581 | G | A | -2.6524 | |
| 582 | G | A | -2.7142 | |
| 583 | R | A | -4.0004 | |
| 584 | R | A | -4.3488 | |
| 585 | E | A | -4.6353 | |
| 586 | R | A | -4.4553 | |
| 587 | D | A | -3.7558 | |
| 588 | G | A | -2.9286 | |
| 589 | R | A | -2.7572 | |
| 590 | A | A | -2.0075 | |
| 591 | N | A | -2.1297 | |
| 592 | G | A | -2.2830 | |
| 593 | N | A | -3.0399 | |
| 594 | D | A | -3.7018 | |
| 595 | R | A | -4.0629 | |
| 596 | N | A | -4.0442 | |
| 597 | D | A | -3.9003 | |
| 598 | R | A | -3.7092 | |
| 599 | S | A | -3.1058 | |
| 600 | E | A | -3.6149 | |
| 601 | D | A | -3.8977 | |
| 602 | Q | A | -3.5807 | |
| 603 | Q | A | -3.2706 | |
| 604 | R | A | -3.3658 | |
| 605 | G | A | -3.0863 | |
| 606 | D | A | -3.4795 | |
| 607 | N | A | -3.2634 | |
| 608 | D | A | -3.1173 | |
| 609 | G | A | -2.0928 | |
| 610 | G | A | -1.7239 | |
| 611 | N | A | -1.8251 | |
| 612 | P | A | -1.6365 | |
| 613 | G | A | -1.3752 | |
| 614 | E | A | -1.3503 | |
| 615 | V | A | 0.8503 | |
| 616 | G | A | 0.3279 | |
| 617 | Y | A | 0.5780 | |
| 618 | D | A | -0.8321 | |
| 619 | A | A | 0.2264 | |
| 620 | F | A | 1.2389 | |
| 621 | G | A | 0.1413 | |
| 622 | G | A | -0.9624 | |
| 623 | Q | A | -1.8891 | |
| 624 | G | A | -1.2609 | |
| 625 | G | A | -0.1765 | |
| 626 | V | A | 1.3782 | |
| 627 | H | A | 0.4544 | |
| 628 | V | A | 1.7294 | |
| 629 | P | A | 1.1143 | |
| 630 | P | A | 1.2222 | |
| 631 | F | A | 2.4521 | |
| 632 | L | A | 2.0874 | |
| 633 | S | A | 0.4561 | |
| 634 | D | A | -0.6367 | |
| 635 | I | A | 0.6037 | |
| 636 | N | A | -1.0210 | |
| 637 | P | A | -0.6896 | |
| 638 | P | A | -0.4068 | |
| 639 | P | A | -0.2820 | |
| 640 | M | A | 0.9784 | |
| 641 | L | A | 1.6092 | |
| 642 | M | A | 1.4286 | |
| 643 | P | A | 1.1996 | |
| 644 | V | A | 0.8941 | |
| 645 | P | A | -0.0267 | |
| 646 | G | A | -0.5746 | |
| 647 | A | A | 0.0573 | |
| 648 | G | A | -0.1490 | |
| 649 | P | A | 0.4085 | |
| 650 | L | A | 1.3955 | |
| 651 | G | A | 0.8269 | |
| 652 | P | A | 1.1278 | |
| 653 | F | A | 2.4052 | |
| 654 | V | A | 1.7662 | |
| 655 | P | A | 0.8809 | |
| 656 | A | A | 0.5487 | |
| 657 | P | A | -0.4811 | |
| 658 | P | A | -0.9621 | |
| 659 | E | A | -1.5235 | |
| 660 | V | A | -0.3492 | |
| 661 | A | A | 0.0124 | |
| 662 | M | A | -0.3703 | |
| 663 | Q | A | -1.2431 | |
| 664 | M | A | -0.2732 | |
| 665 | F | A | 0.3282 | |
| 666 | R | A | -1.7771 | |
| 667 | D | A | -2.1136 | |
| 668 | P | A | -1.2550 | |
| 669 | S | A | -1.4258 | |
| 670 | G | A | -1.3781 | |
| 671 | P | A | -1.4441 | |
| 672 | N | A | -1.4512 | |
| 673 | P | A | -0.8123 | |
| 674 | P | A | -0.2805 | |
| 675 | F | A | 0.5295 | |
| 676 | E | A | -1.2283 | |
| 677 | G | A | -1.0598 | |
| 678 | S | A | -1.2218 | |
| 679 | G | A | -1.6739 | |
| 680 | R | A | -2.4325 | |
| 681 | G | A | -1.7525 | |
| 682 | G | A | -1.2204 | |
| 683 | P | A | -0.6570 | |
| 684 | A | A | 0.1212 | |
| 685 | P | A | 1.1495 | |
| 686 | F | A | 2.9180 | |
| 687 | L | A | 3.1009 | |
| 688 | L | A | 2.5457 | |
| 689 | S | A | 0.7727 | |
| 690 | P | A | 0.2929 | |
| 691 | A | A | 0.2333 | |
| 692 | F | A | 0.6108 | |
| 693 | R | A | -1.6606 | |
| 694 | Q | A | -2.3685 | |
| 695 | D | A | -2.2502 | |
| 696 | P | A | -2.3357 | |
| 697 | R | A | -3.1115 | |
| 698 | R | A | -2.9264 | |
| 699 | L | A | -0.7861 | |
| 700 | R | A | -1.9636 | |
| 701 | S | A | -0.9104 | |
| 702 | Y | A | -0.0638 | |
| 703 | Q | A | -1.2542 | |
| 704 | D | A | -1.1465 | |
| 705 | L | A | 0.1061 | |
| 706 | D | A | -0.8019 | |
| 707 | A | A | -1.5137 | |
| 708 | P | A | -1.9975 | |
| 709 | E | A | -2.9427 | |
| 710 | E | A | -3.1642 | |
| 711 | E | A | -2.0753 | |
| 712 | V | A | 0.8446 | |
| 713 | T | A | 1.1972 | |
| 714 | V | A | 2.6140 | |
| 715 | I | A | 2.2965 | |
| 716 | D | A | -0.1505 | |
| 717 | Y | A | 0.5855 | |
| 718 | R | A | -1.1854 | |
| 719 | S | A | -0.1102 | |
| 720 | L | A | 1.0563 |
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 | -0.9664 | 6.814 | View | CSV | PDB |
| 4.5 | -1.0844 | 6.814 | View | CSV | PDB |
| 5.0 | -1.2328 | 6.814 | View | CSV | PDB |
| 5.5 | -1.3882 | 6.814 | View | CSV | PDB |
| 6.0 | -1.526 | 6.814 | View | CSV | PDB |
| 6.5 | -1.6266 | 6.814 | View | CSV | PDB |
| 7.0 | -1.6848 | 6.814 | View | CSV | PDB |
| 7.5 | -1.7112 | 6.814 | View | CSV | PDB |
| 8.0 | -1.7183 | 6.814 | View | CSV | PDB |
| 8.5 | -1.7104 | 6.814 | View | CSV | PDB |
| 9.0 | -1.6853 | 6.814 | 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