| Chain sequence(s) |
A: MSKPHSEAGTAFIQTQQLHAAMADTFLEHMCRLDIDSPPITARNTGIICTIGPASRSVETLKEMIKSGMNVARLNFSHGTHEYHAETIKNVRTATESFASDPILYRPVAVALDTKGPEIRTGLIKGSGTAEVELKKGATLKITLDNAYMEKCDENILWLDYKNICKVVEVGSKIYVDDGLISLQVKQKGADFLVTEVENGGSLGSKKGVNLPGAAVDLPAVSEKDIQDLKFGVEQDVDMVFASFIRKASDVHEVRKVLGEKGKNIKIISKIENHEGVRRFDEILEASDGIMVARGDLGIEIPAEKVFLAQKMMIGRCNRAGKPVICATQMLESMIKKPRPTRAEGSDVANAVLDGADCIMLSGETAKGDYPLEAVRMQHLIAREAEAAIYHLQLFEELRRLAPITSDPTEATAVGAVEASFKCCSGAIIVLTKSGRSAHQVARYRPRAPIIAVTRNPQTARQAHLYRGIFPVLCKDPVQEAWAEDVDLRVNFAMNVGKARGFFKKGDVVIVLTGWRPGSGFTNTMRVVPVP
input PDB |
| Selected Chain(s) | A |
| Distance of aggregation | 10 Å |
| FoldX usage | Yes |
| pH calculations | Yes |
| alphaCutter usage | Used: no changes made |
| 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: AlphaCutter did not cut any residues. The original structure will be used
for analysis. (00:00:13)
[INFO] PDB-Info: The input structure is globular. Max score is recommended for pH analysis. (00:00:15)
[INFO] FoldX: Starting FoldX energy minimization (00:00:15)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:12:55)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/2a2b55004327119/tmp/folded.pdb (00:12:55)
[INFO] Main: Simulation completed successfully. (00:17:11)
|
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 | 0.4610 | |
| 2 | S | A | -0.7400 | |
| 3 | K | A | -2.2570 | |
| 4 | P | A | -1.9461 | |
| 5 | H | A | -2.0174 | |
| 6 | S | A | -1.8332 | |
| 7 | E | A | -2.5347 | |
| 8 | A | A | -1.1665 | |
| 9 | G | A | -0.7884 | |
| 10 | T | A | 0.0911 | |
| 11 | A | A | 0.5088 | |
| 12 | F | A | 1.1701 | |
| 13 | I | A | 0.4851 | |
| 14 | Q | A | -0.2382 | |
| 15 | T | A | -0.3776 | |
| 16 | Q | A | -0.8143 | |
| 17 | Q | A | -0.4533 | |
| 18 | L | A | -0.0104 | |
| 19 | H | A | -0.3245 | |
| 20 | A | A | 0.0000 | |
| 21 | A | A | 0.3526 | |
| 22 | M | A | 0.4435 | |
| 23 | A | A | 0.0000 | |
| 24 | D | A | -1.2660 | |
| 25 | T | A | 0.1379 | |
| 26 | F | A | 1.5950 | |
| 27 | L | A | 1.4675 | |
| 28 | E | A | -0.4172 | |
| 29 | H | A | 0.0000 | |
| 30 | M | A | 1.0532 | |
| 31 | C | A | 0.6732 | |
| 32 | R | A | 0.0836 | |
| 33 | L | A | 0.2220 | |
| 34 | D | A | -0.1076 | |
| 35 | I | A | 0.6087 | |
| 36 | D | A | -0.9926 | |
| 37 | S | A | 0.0000 | |
| 38 | P | A | -0.7592 | |
| 39 | P | A | -0.5564 | |
| 40 | I | A | -0.1252 | |
| 41 | T | A | -0.2029 | |
| 42 | A | A | 0.0000 | |
| 43 | R | A | -0.2687 | |
| 44 | N | A | 0.0000 | |
| 45 | T | A | 0.0000 | |
| 46 | G | A | 0.0000 | |
| 47 | I | A | 0.0000 | |
| 48 | I | A | 0.0000 | |
| 49 | C | A | 0.0000 | |
| 50 | T | A | 0.0000 | |
| 51 | I | A | 0.0000 | |
| 52 | G | A | 0.0000 | |
| 53 | P | A | -0.8217 | |
| 54 | A | A | -1.1057 | |
| 55 | S | A | 0.0000 | |
| 56 | R | A | -0.8912 | |
| 57 | S | A | -0.8905 | |
| 58 | V | A | -1.3345 | |
| 59 | E | A | -2.2216 | |
| 60 | T | A | -1.6104 | |
| 61 | L | A | 0.0000 | |
| 62 | K | A | -2.3159 | |
| 63 | E | A | -2.4464 | |
| 64 | M | A | 0.0000 | |
| 65 | I | A | 0.0000 | |
| 66 | K | A | -2.3791 | |
| 67 | S | A | -1.4462 | |
| 68 | G | A | 0.0000 | |
| 69 | M | A | 0.0000 | |
| 70 | N | A | 0.0000 | |
| 71 | V | A | 0.0000 | |
| 72 | A | A | 0.0000 | |
| 73 | R | A | 0.0000 | |
| 74 | L | A | 0.0000 | |
| 75 | N | A | -0.8244 | |
| 76 | F | A | 0.0000 | |
| 77 | S | A | -1.0663 | |
| 78 | H | A | -1.4271 | |
| 79 | G | A | -1.2860 | |
| 80 | T | A | -1.1388 | |
| 81 | H | A | -1.5787 | |
| 82 | E | A | -2.1509 | |
| 83 | Y | A | -1.2274 | |
| 84 | H | A | 0.0000 | |
| 85 | A | A | -1.8173 | |
| 86 | E | A | -2.2505 | |
| 87 | T | A | 0.0000 | |
| 88 | I | A | 0.0000 | |
| 89 | K | A | -2.4424 | |
| 90 | N | A | -1.9616 | |
| 91 | V | A | 0.0000 | |
| 92 | R | A | -1.9691 | |
| 93 | T | A | -1.6907 | |
| 94 | A | A | 0.0000 | |
| 95 | T | A | 0.0000 | |
| 96 | E | A | -2.1710 | |
| 97 | S | A | -1.1273 | |
| 98 | F | A | -0.6252 | |
| 99 | A | A | -0.8652 | |
| 100 | S | A | -0.6285 | |
| 101 | D | A | -0.5638 | |
| 102 | P | A | -0.3146 | |
| 103 | I | A | 0.3213 | |
| 104 | L | A | 0.9177 | |
| 105 | Y | A | 0.2493 | |
| 106 | R | A | -0.2752 | |
| 107 | P | A | 0.0000 | |
| 108 | V | A | 0.0000 | |
| 109 | A | A | 0.0000 | |
| 110 | V | A | 0.0000 | |
| 111 | A | A | 0.0000 | |
| 112 | L | A | 0.0000 | |
| 113 | D | A | 0.0000 | |
| 114 | T | A | 0.0000 | |
| 115 | K | A | -1.2720 | |
| 116 | G | A | -0.7770 | |
| 117 | P | A | -0.5097 | |
| 118 | E | A | -0.8562 | |
| 119 | I | A | 0.0000 | |
| 120 | R | A | -1.1015 | |
| 121 | T | A | 0.0000 | |
| 122 | G | A | 0.0000 | |
| 123 | L | A | -1.6703 | |
| 124 | I | A | 0.0000 | |
| 125 | K | A | -3.0446 | |
| 126 | G | A | -1.9733 | |
| 127 | S | A | -1.3021 | |
| 128 | G | A | -1.5240 | |
| 129 | T | A | -0.8059 | |
| 130 | A | A | -1.2877 | |
| 131 | E | A | -2.6970 | |
| 132 | V | A | -2.7505 | |
| 133 | E | A | -3.3546 | |
| 134 | L | A | 0.0000 | |
| 135 | K | A | -3.7667 | |
| 136 | K | A | -3.5829 | |
| 137 | G | A | -2.2884 | |
| 138 | A | A | -2.1573 | |
| 139 | T | A | -1.6897 | |
| 140 | L | A | 0.0000 | |
| 141 | K | A | -1.0785 | |
| 142 | I | A | 0.0000 | |
| 143 | T | A | 0.0000 | |
| 144 | L | A | -1.6815 | |
| 145 | D | A | -2.2598 | |
| 146 | N | A | -2.1774 | |
| 147 | A | A | -1.2523 | |
| 148 | Y | A | -1.3882 | |
| 149 | M | A | -1.7395 | |
| 150 | E | A | -2.7954 | |
| 151 | K | A | -2.6148 | |
| 152 | C | A | 0.0000 | |
| 153 | D | A | -2.8078 | |
| 154 | E | A | -3.5820 | |
| 155 | N | A | -2.2099 | |
| 156 | I | A | -1.1835 | |
| 157 | L | A | 0.0000 | |
| 158 | W | A | 0.0000 | |
| 159 | L | A | 0.0000 | |
| 160 | D | A | -1.8265 | |
| 161 | Y | A | 0.0000 | |
| 162 | K | A | -2.4003 | |
| 163 | N | A | -1.9883 | |
| 164 | I | A | 0.0000 | |
| 165 | C | A | -1.7415 | |
| 166 | K | A | -2.5195 | |
| 167 | V | A | -1.1975 | |
| 168 | V | A | 0.0000 | |
| 169 | E | A | -1.8380 | |
| 170 | V | A | -0.1859 | |
| 171 | G | A | -0.6432 | |
| 172 | S | A | -0.7946 | |
| 173 | K | A | -1.0687 | |
| 174 | I | A | 0.0000 | |
| 175 | Y | A | -0.0995 | |
| 176 | V | A | 0.0000 | |
| 177 | D | A | -1.1245 | |
| 178 | D | A | -1.6766 | |
| 179 | G | A | -0.4666 | |
| 180 | L | A | 0.6097 | |
| 181 | I | A | 0.0000 | |
| 182 | S | A | 0.0000 | |
| 183 | L | A | 0.0000 | |
| 184 | Q | A | -1.2487 | |
| 185 | V | A | 0.0000 | |
| 186 | K | A | -1.3912 | |
| 187 | Q | A | -1.6820 | |
| 188 | K | A | -1.6071 | |
| 189 | G | A | -0.9162 | |
| 190 | A | A | -0.9928 | |
| 191 | D | A | -2.2565 | |
| 192 | F | A | -0.8848 | |
| 193 | L | A | 0.0000 | |
| 194 | V | A | -0.6634 | |
| 195 | T | A | 0.0000 | |
| 196 | E | A | -2.1727 | |
| 197 | V | A | 0.0000 | |
| 198 | E | A | -2.4146 | |
| 199 | N | A | -1.8086 | |
| 200 | G | A | -2.2085 | |
| 201 | G | A | -1.5595 | |
| 202 | S | A | -1.6605 | |
| 203 | L | A | 0.0000 | |
| 204 | G | A | 0.0000 | |
| 205 | S | A | -1.3970 | |
| 206 | K | A | -1.4698 | |
| 207 | K | A | -1.4400 | |
| 208 | G | A | -1.2879 | |
| 209 | V | A | 0.0000 | |
| 210 | N | A | 0.0000 | |
| 211 | L | A | 0.0000 | |
| 212 | P | A | -0.6234 | |
| 213 | G | A | -0.8896 | |
| 214 | A | A | -0.7994 | |
| 215 | A | A | -0.6325 | |
| 216 | V | A | -0.6646 | |
| 217 | D | A | -1.6866 | |
| 218 | L | A | -0.7901 | |
| 219 | P | A | -0.6747 | |
| 220 | A | A | -0.7343 | |
| 221 | V | A | -0.9325 | |
| 222 | S | A | -1.5188 | |
| 223 | E | A | -2.7088 | |
| 224 | K | A | -2.9643 | |
| 225 | D | A | 0.0000 | |
| 226 | I | A | -1.4812 | |
| 227 | Q | A | -2.1148 | |
| 228 | D | A | -1.7839 | |
| 229 | L | A | 0.0000 | |
| 230 | K | A | -2.1031 | |
| 231 | F | A | -1.5427 | |
| 232 | G | A | 0.0000 | |
| 233 | V | A | 0.0000 | |
| 234 | E | A | -2.8968 | |
| 235 | Q | A | -2.2489 | |
| 236 | D | A | -2.6783 | |
| 237 | V | A | 0.0000 | |
| 238 | D | A | 0.0000 | |
| 239 | M | A | 0.0000 | |
| 240 | V | A | 0.0000 | |
| 241 | F | A | 0.0000 | |
| 242 | A | A | 0.0000 | |
| 243 | S | A | 0.0000 | |
| 244 | F | A | -0.4964 | |
| 245 | I | A | 0.0000 | |
| 246 | R | A | -1.9090 | |
| 247 | K | A | -2.2614 | |
| 248 | A | A | -1.7239 | |
| 249 | S | A | -1.3012 | |
| 250 | D | A | 0.0000 | |
| 251 | V | A | 0.0000 | |
| 252 | H | A | -2.1973 | |
| 253 | E | A | -2.5571 | |
| 254 | V | A | 0.0000 | |
| 255 | R | A | -2.8344 | |
| 256 | K | A | -3.1625 | |
| 257 | V | A | -1.8997 | |
| 258 | L | A | 0.0000 | |
| 259 | G | A | -2.8606 | |
| 260 | E | A | -3.7708 | |
| 261 | K | A | -3.8883 | |
| 262 | G | A | 0.0000 | |
| 263 | K | A | -3.8641 | |
| 264 | N | A | -2.8426 | |
| 265 | I | A | 0.0000 | |
| 266 | K | A | -1.0355 | |
| 267 | I | A | 0.0000 | |
| 268 | I | A | 0.0000 | |
| 269 | S | A | 0.0000 | |
| 270 | K | A | 0.0000 | |
| 271 | I | A | 0.0000 | |
| 272 | E | A | 0.0000 | |
| 273 | N | A | -1.4444 | |
| 274 | H | A | -2.3463 | |
| 275 | E | A | -3.1145 | |
| 276 | G | A | 0.0000 | |
| 277 | V | A | -1.9736 | |
| 278 | R | A | -3.2753 | |
| 279 | R | A | -2.9446 | |
| 280 | F | A | 0.0000 | |
| 281 | D | A | -2.2660 | |
| 282 | E | A | -2.1734 | |
| 283 | I | A | 0.0000 | |
| 284 | L | A | 0.0000 | |
| 285 | E | A | -2.2710 | |
| 286 | A | A | -1.5219 | |
| 287 | S | A | 0.0000 | |
| 288 | D | A | -0.9321 | |
| 289 | G | A | 0.0000 | |
| 290 | I | A | 0.0000 | |
| 291 | M | A | 0.0000 | |
| 292 | V | A | 0.0000 | |
| 293 | A | A | 0.0000 | |
| 294 | R | A | -0.3002 | |
| 295 | G | A | -0.9914 | |
| 296 | D | A | -1.0274 | |
| 297 | L | A | 0.0000 | |
| 298 | G | A | -0.8619 | |
| 299 | I | A | -0.4303 | |
| 300 | E | A | -0.8522 | |
| 301 | I | A | 0.0000 | |
| 302 | P | A | -1.1185 | |
| 303 | A | A | -0.9355 | |
| 304 | E | A | -1.5996 | |
| 305 | K | A | -0.6304 | |
| 306 | V | A | 0.3907 | |
| 307 | F | A | 1.7244 | |
| 308 | L | A | 1.4531 | |
| 309 | A | A | 0.0000 | |
| 310 | Q | A | 0.0000 | |
| 311 | K | A | -0.3873 | |
| 312 | M | A | 0.0685 | |
| 313 | M | A | 0.0000 | |
| 314 | I | A | 0.0000 | |
| 315 | G | A | -1.6811 | |
| 316 | R | A | -2.2986 | |
| 317 | C | A | 0.0000 | |
| 318 | N | A | -1.5997 | |
| 319 | R | A | -2.1723 | |
| 320 | A | A | -1.5479 | |
| 321 | G | A | -1.1353 | |
| 322 | K | A | -1.2536 | |
| 323 | P | A | 0.0000 | |
| 324 | V | A | 0.0000 | |
| 325 | I | A | 0.0000 | |
| 326 | C | A | 0.0000 | |
| 327 | A | A | 0.0000 | |
| 328 | T | A | -0.7841 | |
| 329 | Q | A | -1.4038 | |
| 330 | M | A | 0.0000 | |
| 331 | L | A | 0.0000 | |
| 332 | E | A | -1.6446 | |
| 333 | S | A | -1.7821 | |
| 334 | M | A | 0.0000 | |
| 335 | I | A | -2.4140 | |
| 336 | K | A | -3.4356 | |
| 337 | K | A | -3.5388 | |
| 338 | P | A | -2.4218 | |
| 339 | R | A | -2.9007 | |
| 340 | P | A | -2.1291 | |
| 341 | T | A | -1.7522 | |
| 342 | R | A | -2.1782 | |
| 343 | A | A | -1.0364 | |
| 344 | E | A | 0.0000 | |
| 345 | G | A | -1.0356 | |
| 346 | S | A | -1.0523 | |
| 347 | D | A | -1.0662 | |
| 348 | V | A | 0.0000 | |
| 349 | A | A | -0.6626 | |
| 350 | N | A | -1.0458 | |
| 351 | A | A | 0.0000 | |
| 352 | V | A | 0.0000 | |
| 353 | L | A | 0.0248 | |
| 354 | D | A | -0.7176 | |
| 355 | G | A | 0.0000 | |
| 356 | A | A | 0.0000 | |
| 357 | D | A | 0.0000 | |
| 358 | C | A | 0.0000 | |
| 359 | I | A | 0.0000 | |
| 360 | M | A | 0.0000 | |
| 361 | L | A | 0.0000 | |
| 362 | S | A | -0.6662 | |
| 363 | G | A | 0.0000 | |
| 364 | E | A | 0.0000 | |
| 365 | T | A | 0.0000 | |
| 366 | A | A | -1.1225 | |
| 367 | K | A | -2.2635 | |
| 368 | G | A | 0.0000 | |
| 369 | D | A | -2.8017 | |
| 370 | Y | A | -1.7781 | |
| 371 | P | A | -0.8536 | |
| 372 | L | A | -0.8229 | |
| 373 | E | A | -1.3103 | |
| 374 | A | A | 0.0000 | |
| 375 | V | A | 0.0000 | |
| 376 | R | A | -0.8141 | |
| 377 | M | A | -0.2182 | |
| 378 | Q | A | 0.0000 | |
| 379 | H | A | -0.1901 | |
| 380 | L | A | 0.5478 | |
| 381 | I | A | -0.1915 | |
| 382 | A | A | 0.0000 | |
| 383 | R | A | -0.8305 | |
| 384 | E | A | -1.4141 | |
| 385 | A | A | 0.0000 | |
| 386 | E | A | 0.0000 | |
| 387 | A | A | 0.0000 | |
| 388 | A | A | -0.3815 | |
| 389 | I | A | 0.0000 | |
| 390 | Y | A | 0.0000 | |
| 391 | H | A | 0.0000 | |
| 392 | L | A | 0.8435 | |
| 393 | Q | A | -0.4297 | |
| 394 | L | A | -0.3478 | |
| 395 | F | A | 0.0000 | |
| 396 | E | A | -1.6936 | |
| 397 | E | A | -2.1158 | |
| 398 | L | A | -1.5988 | |
| 399 | R | A | -1.7096 | |
| 400 | R | A | -2.0312 | |
| 401 | L | A | -0.5768 | |
| 402 | A | A | -0.3763 | |
| 403 | P | A | 0.5467 | |
| 404 | I | A | 1.5755 | |
| 405 | T | A | 0.5069 | |
| 406 | S | A | -0.1948 | |
| 407 | D | A | -0.6103 | |
| 408 | P | A | -0.7849 | |
| 409 | T | A | 0.0000 | |
| 410 | E | A | -0.4139 | |
| 411 | A | A | -0.0866 | |
| 412 | T | A | -0.3502 | |
| 413 | A | A | 0.0000 | |
| 414 | V | A | -0.0442 | |
| 415 | G | A | -0.1911 | |
| 416 | A | A | 0.0000 | |
| 417 | V | A | 0.0000 | |
| 418 | E | A | -0.8543 | |
| 419 | A | A | -0.4066 | |
| 420 | S | A | 0.0000 | |
| 421 | F | A | -0.1180 | |
| 422 | K | A | -1.2792 | |
| 423 | C | A | 0.1367 | |
| 424 | C | A | 0.4673 | |
| 425 | S | A | 0.0000 | |
| 426 | G | A | -0.0722 | |
| 427 | A | A | 0.0000 | |
| 428 | I | A | 0.0000 | |
| 429 | I | A | 0.0000 | |
| 430 | V | A | 0.0000 | |
| 431 | L | A | 0.0000 | |
| 432 | T | A | 0.0000 | |
| 433 | K | A | -2.4422 | |
| 434 | S | A | -1.8046 | |
| 435 | G | A | 0.0000 | |
| 436 | R | A | -1.5151 | |
| 437 | S | A | 0.0000 | |
| 438 | A | A | 0.0000 | |
| 439 | H | A | -0.6465 | |
| 440 | Q | A | 0.0000 | |
| 441 | V | A | 0.0000 | |
| 442 | A | A | 0.0000 | |
| 443 | R | A | -0.7173 | |
| 444 | Y | A | 0.0000 | |
| 445 | R | A | 0.0000 | |
| 446 | P | A | 0.0000 | |
| 447 | R | A | -0.0109 | |
| 448 | A | A | 0.0000 | |
| 449 | P | A | 0.0000 | |
| 450 | I | A | 0.0000 | |
| 451 | I | A | 0.0000 | |
| 452 | A | A | 0.0000 | |
| 453 | V | A | 0.0000 | |
| 454 | T | A | 0.0000 | |
| 455 | R | A | -1.4264 | |
| 456 | N | A | -1.3931 | |
| 457 | P | A | -0.9687 | |
| 458 | Q | A | -1.1436 | |
| 459 | T | A | 0.0000 | |
| 460 | A | A | 0.0000 | |
| 461 | R | A | -0.4795 | |
| 462 | Q | A | 0.0000 | |
| 463 | A | A | 0.0000 | |
| 464 | H | A | 0.0000 | |
| 465 | L | A | 0.0000 | |
| 466 | Y | A | 0.0119 | |
| 467 | R | A | 0.0000 | |
| 468 | G | A | 0.0000 | |
| 469 | I | A | 0.0000 | |
| 470 | F | A | 0.2158 | |
| 471 | P | A | 0.0000 | |
| 472 | V | A | 0.0000 | |
| 473 | L | A | -0.6835 | |
| 474 | C | A | 0.0000 | |
| 475 | K | A | -2.2496 | |
| 476 | D | A | -1.7800 | |
| 477 | P | A | -0.6976 | |
| 478 | V | A | 0.3459 | |
| 479 | Q | A | -0.8832 | |
| 480 | E | A | -1.7571 | |
| 481 | A | A | -1.0769 | |
| 482 | W | A | -0.7541 | |
| 483 | A | A | -1.3439 | |
| 484 | E | A | -2.3993 | |
| 485 | D | A | 0.0000 | |
| 486 | V | A | 0.0000 | |
| 487 | D | A | -2.4289 | |
| 488 | L | A | -1.3489 | |
| 489 | R | A | -1.3231 | |
| 490 | V | A | -1.1291 | |
| 491 | N | A | -1.3672 | |
| 492 | F | A | -1.0696 | |
| 493 | A | A | 0.0000 | |
| 494 | M | A | 0.0000 | |
| 495 | N | A | -1.6015 | |
| 496 | V | A | 0.0000 | |
| 497 | G | A | 0.0000 | |
| 498 | K | A | -2.3642 | |
| 499 | A | A | -1.0891 | |
| 500 | R | A | -1.3375 | |
| 501 | G | A | -1.4709 | |
| 502 | F | A | -0.8290 | |
| 503 | F | A | 0.0000 | |
| 504 | K | A | -3.3257 | |
| 505 | K | A | -3.1392 | |
| 506 | G | A | -1.9635 | |
| 507 | D | A | -1.4852 | |
| 508 | V | A | 0.1843 | |
| 509 | V | A | 0.0000 | |
| 510 | I | A | 0.0000 | |
| 511 | V | A | 0.0000 | |
| 512 | L | A | 0.0000 | |
| 513 | T | A | 0.0000 | |
| 514 | G | A | -0.0408 | |
| 515 | W | A | 0.5739 | |
| 516 | R | A | -0.6441 | |
| 517 | P | A | -0.8293 | |
| 518 | G | A | -1.1472 | |
| 519 | S | A | -1.3709 | |
| 520 | G | A | -1.1631 | |
| 521 | F | A | -0.0911 | |
| 522 | T | A | 0.0000 | |
| 523 | N | A | -0.5851 | |
| 524 | T | A | -0.0829 | |
| 525 | M | A | 0.1013 | |
| 526 | R | A | 0.0530 | |
| 527 | V | A | 1.3433 | |
| 528 | V | A | 0.7658 | |
| 529 | P | A | -0.5605 | |
| 530 | V | A | 0.0000 | |
| 531 | P | A | -1.4747 |
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 | -0.5828 | 4.3924 | View | CSV | PDB |
| 4.5 | -0.6527 | 4.2016 | View | CSV | PDB |
| 5.0 | -0.7362 | 3.9855 | View | CSV | PDB |
| 5.5 | -0.8161 | 3.7694 | View | CSV | PDB |
| 6.0 | -0.8748 | 3.5907 | View | CSV | PDB |
| 6.5 | -0.8998 | 3.6513 | View | CSV | PDB |
| 7.0 | -0.8919 | 3.762 | View | CSV | PDB |
| 7.5 | -0.8619 | 3.9001 | View | CSV | PDB |
| 8.0 | -0.8202 | 4.0489 | View | CSV | PDB |
| 8.5 | -0.7705 | 4.2005 | View | CSV | PDB |
| 9.0 | -0.7131 | 4.3498 | 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