| Chain sequence(s) |
A: MSGAIGGAEVHGFRGAAAQLPRSRVLGRPIRVAPPAAARPGGASAGSIRAVSAPAKKDASEVKRSKVEIIKEKSNFLRYPLNEELVSEAPNINESAVQLIKFHGSYQQTDRDVRGQKNYSFMLRTKNPCGKVPNQLYLAMDTLADEFGIGTLRLTTRQTFQLHGVLKKNLKTVLSTVIKNMGSTLGACGDLNRNVLAPAAPYVKKDILFAQQTAENIAALLTPQSGAYYDLWVDGEKIMSAEEPPEVTKARNDNSHGTNFPDSPEPIYGTQYLPRKFKVAVTAAGDNSVDILTNDIGVVVVSDDAGEPIGFNIYVGGGMGRTHRVETTFPRLADPLGYVPKEDILYAIKAIVVTQRENGRRDDRKYSRMKYMIDRWGIDRFRAEVEKYYGKKFESFRPLPEWQFNSYLGWQEQGDGKLFYGVHVDNGRVGGQAKKTLREIIEKYNLDVSITPNQNLILCGIDQAWREPITTALAQAGLLEPKDVDPLNLTAMACPALPLCPLAQTEAERGILPILKRIRAVFNKVGIKDSESVVVRITGCPNGCARPYMAELGFVGDGPKSYQIWLGGTPNQSTLAESFMDKVKLDDIEKVLEPLFTYWNGTRQEGESFGSFTNRTGFDKLKEVVNKWAESPSAA
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] (00:00:01)
[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-Info: The input structure is globular. Max score is recommended for pH analysis. (00:00:02)
[INFO] FoldX: Starting FoldX energy minimization (00:00:03)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:08:25)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/168e18b0d889d98/tmp/folded.pdb (00:08:25)
[INFO] Main: Simulation completed successfully. (00:11:14)
|
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 | 0.8595 | |
| 2 | S | A | 0.0814 | |
| 3 | G | A | 0.0620 | |
| 4 | A | A | 0.6831 | |
| 5 | I | A | 1.5773 | |
| 6 | G | A | 0.4381 | |
| 7 | G | A | -0.4703 | |
| 8 | A | A | -0.6155 | |
| 9 | E | A | -1.3343 | |
| 10 | V | A | 0.4888 | |
| 11 | H | A | -0.5120 | |
| 12 | G | A | -0.3418 | |
| 13 | F | A | 0.6515 | |
| 14 | R | A | -1.3256 | |
| 15 | G | A | -0.8038 | |
| 16 | A | A | -0.5023 | |
| 17 | A | A | -0.3414 | |
| 18 | A | A | -0.1758 | |
| 19 | Q | A | -0.7174 | |
| 20 | L | A | 0.3696 | |
| 21 | P | A | -1.0248 | |
| 22 | R | A | -2.1296 | |
| 23 | S | A | -1.2251 | |
| 24 | R | A | -1.2525 | |
| 25 | V | A | 0.9996 | |
| 26 | L | A | 1.1393 | |
| 27 | G | A | -0.1735 | |
| 28 | R | A | -1.3233 | |
| 29 | P | A | -0.3752 | |
| 30 | I | A | 0.9451 | |
| 31 | R | A | -0.3042 | |
| 32 | V | A | 1.2916 | |
| 33 | A | A | 0.4900 | |
| 34 | P | A | -0.1156 | |
| 35 | P | A | -0.1149 | |
| 36 | A | A | -0.0790 | |
| 37 | A | A | -0.3716 | |
| 38 | A | A | -0.8808 | |
| 39 | R | A | -2.0216 | |
| 40 | P | A | -1.4511 | |
| 41 | G | A | -1.2266 | |
| 42 | G | A | -0.8081 | |
| 43 | A | A | -0.3643 | |
| 44 | S | A | -0.3525 | |
| 45 | A | A | -0.0838 | |
| 46 | G | A | -0.3762 | |
| 47 | S | A | 0.0586 | |
| 48 | I | A | 1.1780 | |
| 49 | R | A | -0.4800 | |
| 50 | A | A | 0.4746 | |
| 51 | V | A | 1.4325 | |
| 52 | S | A | 0.4131 | |
| 53 | A | A | 0.0790 | |
| 54 | P | A | -0.7358 | |
| 55 | A | A | -1.6291 | |
| 56 | K | A | -3.0365 | |
| 57 | K | A | -3.4481 | |
| 58 | D | A | -3.3818 | |
| 59 | A | A | -1.7979 | |
| 60 | S | A | -1.6717 | |
| 61 | E | A | -1.8811 | |
| 62 | V | A | -0.2763 | |
| 63 | K | A | -2.2840 | |
| 64 | R | A | -2.1264 | |
| 65 | S | A | -1.9759 | |
| 66 | K | A | -2.0268 | |
| 67 | V | A | 0.0000 | |
| 68 | E | A | 0.0000 | |
| 69 | I | A | -0.6106 | |
| 70 | I | A | 0.0000 | |
| 71 | K | A | 0.0000 | |
| 72 | E | A | -1.5026 | |
| 73 | K | A | -2.0620 | |
| 74 | S | A | 0.0000 | |
| 75 | N | A | -1.7082 | |
| 76 | F | A | -0.9610 | |
| 77 | L | A | 0.0000 | |
| 78 | R | A | -1.1359 | |
| 79 | Y | A | -0.6879 | |
| 80 | P | A | -1.1730 | |
| 81 | L | A | 0.0000 | |
| 82 | N | A | -1.1919 | |
| 83 | E | A | -1.6195 | |
| 84 | E | A | -1.0913 | |
| 85 | L | A | -0.6638 | |
| 86 | V | A | 0.2225 | |
| 87 | S | A | -0.9352 | |
| 88 | E | A | -1.7907 | |
| 89 | A | A | -1.1039 | |
| 90 | P | A | -1.1681 | |
| 91 | N | A | -1.4439 | |
| 92 | I | A | 0.0000 | |
| 93 | N | A | -1.5597 | |
| 94 | E | A | -2.1331 | |
| 95 | S | A | -1.3273 | |
| 96 | A | A | 0.0000 | |
| 97 | V | A | -0.8611 | |
| 98 | Q | A | -0.8553 | |
| 99 | L | A | 0.0000 | |
| 100 | I | A | 0.0000 | |
| 101 | K | A | -0.2448 | |
| 102 | F | A | 0.0000 | |
| 103 | H | A | 0.0000 | |
| 104 | G | A | 0.0000 | |
| 105 | S | A | 0.0000 | |
| 106 | Y | A | 0.0912 | |
| 107 | Q | A | 0.0054 | |
| 108 | Q | A | 0.0000 | |
| 109 | T | A | -1.5178 | |
| 110 | D | A | -2.1366 | |
| 111 | R | A | -2.3760 | |
| 112 | D | A | -2.3915 | |
| 113 | V | A | -2.1945 | |
| 114 | R | A | -3.1337 | |
| 115 | G | A | -2.4960 | |
| 116 | Q | A | -3.2339 | |
| 117 | K | A | -3.3920 | |
| 118 | N | A | -2.8753 | |
| 119 | Y | A | -1.2408 | |
| 120 | S | A | -0.6392 | |
| 121 | F | A | 0.0000 | |
| 122 | M | A | 0.0000 | |
| 123 | L | A | 0.0000 | |
| 124 | R | A | -0.3573 | |
| 125 | T | A | 0.0000 | |
| 126 | K | A | -0.4821 | |
| 127 | N | A | 0.0000 | |
| 128 | P | A | -0.8776 | |
| 129 | C | A | 0.0000 | |
| 130 | G | A | 0.0000 | |
| 131 | K | A | -1.6415 | |
| 132 | V | A | 0.0000 | |
| 133 | P | A | -1.1868 | |
| 134 | N | A | -1.7024 | |
| 135 | Q | A | -1.3077 | |
| 136 | L | A | 0.0000 | |
| 137 | Y | A | 0.0000 | |
| 138 | L | A | -0.7059 | |
| 139 | A | A | -0.2301 | |
| 140 | M | A | 0.0000 | |
| 141 | D | A | 0.0000 | |
| 142 | T | A | -1.0434 | |
| 143 | L | A | 0.0000 | |
| 144 | A | A | 0.0000 | |
| 145 | D | A | -2.1749 | |
| 146 | E | A | -2.2883 | |
| 147 | F | A | -0.6643 | |
| 148 | G | A | -0.0234 | |
| 149 | I | A | 1.1485 | |
| 150 | G | A | -0.3967 | |
| 151 | T | A | -0.1179 | |
| 152 | L | A | 0.0000 | |
| 153 | R | A | 0.0000 | |
| 154 | L | A | 0.0000 | |
| 155 | T | A | 0.0000 | |
| 156 | T | A | 0.0183 | |
| 157 | R | A | -0.2521 | |
| 158 | Q | A | 0.0000 | |
| 159 | T | A | 0.0000 | |
| 160 | F | A | 0.0000 | |
| 161 | Q | A | 0.0000 | |
| 162 | L | A | 0.0000 | |
| 163 | H | A | 0.0000 | |
| 164 | G | A | 0.4886 | |
| 165 | V | A | 0.0000 | |
| 166 | L | A | -0.3211 | |
| 167 | K | A | 0.0000 | |
| 168 | K | A | -1.8371 | |
| 169 | N | A | -1.2657 | |
| 170 | L | A | 0.0000 | |
| 171 | K | A | -1.0506 | |
| 172 | T | A | -0.8015 | |
| 173 | V | A | 0.0000 | |
| 174 | L | A | 0.0000 | |
| 175 | S | A | -0.9605 | |
| 176 | T | A | -0.7247 | |
| 177 | V | A | 0.0000 | |
| 178 | I | A | 0.0000 | |
| 179 | K | A | -1.3911 | |
| 180 | N | A | -0.6018 | |
| 181 | M | A | 0.4216 | |
| 182 | G | A | -0.1533 | |
| 183 | S | A | -0.1850 | |
| 184 | T | A | 0.0000 | |
| 185 | L | A | 0.0284 | |
| 186 | G | A | 0.0000 | |
| 187 | A | A | 0.0000 | |
| 188 | C | A | 0.0000 | |
| 189 | G | A | 0.0000 | |
| 190 | D | A | 0.0000 | |
| 191 | L | A | 0.0000 | |
| 192 | N | A | 0.0000 | |
| 193 | R | A | -0.5232 | |
| 194 | N | A | 0.0000 | |
| 195 | V | A | 0.0000 | |
| 196 | L | A | 0.0000 | |
| 197 | A | A | 0.0000 | |
| 198 | P | A | 0.0000 | |
| 199 | A | A | 0.0000 | |
| 200 | A | A | 0.0000 | |
| 201 | P | A | -0.8187 | |
| 202 | Y | A | -1.0259 | |
| 203 | V | A | -0.8676 | |
| 204 | K | A | -2.3530 | |
| 205 | K | A | -2.4144 | |
| 206 | D | A | -1.5127 | |
| 207 | I | A | 0.0000 | |
| 208 | L | A | -0.1216 | |
| 209 | F | A | -0.5990 | |
| 210 | A | A | 0.0000 | |
| 211 | Q | A | 0.0000 | |
| 212 | Q | A | -0.8880 | |
| 213 | T | A | 0.0000 | |
| 214 | A | A | 0.0000 | |
| 215 | E | A | -1.4498 | |
| 216 | N | A | 0.0000 | |
| 217 | I | A | 0.0000 | |
| 218 | A | A | 0.0000 | |
| 219 | A | A | -0.3671 | |
| 220 | L | A | 0.0000 | |
| 221 | L | A | 0.0000 | |
| 222 | T | A | -0.2060 | |
| 223 | P | A | -0.4160 | |
| 224 | Q | A | -0.8736 | |
| 225 | S | A | -0.8057 | |
| 226 | G | A | -0.7001 | |
| 227 | A | A | 0.0000 | |
| 228 | Y | A | 0.0000 | |
| 229 | Y | A | -1.1472 | |
| 230 | D | A | -2.1287 | |
| 231 | L | A | -1.2840 | |
| 232 | W | A | 0.0000 | |
| 233 | V | A | 0.0000 | |
| 234 | D | A | -2.7758 | |
| 235 | G | A | -2.4483 | |
| 236 | E | A | -2.9280 | |
| 237 | K | A | -2.3900 | |
| 238 | I | A | -0.6822 | |
| 239 | M | A | 0.1743 | |
| 240 | S | A | -0.3153 | |
| 241 | A | A | -0.6733 | |
| 242 | E | A | -1.9604 | |
| 243 | E | A | -1.7276 | |
| 244 | P | A | -1.7166 | |
| 245 | P | A | -1.8309 | |
| 246 | E | A | -2.6339 | |
| 247 | V | A | 0.0000 | |
| 248 | T | A | -1.8831 | |
| 249 | K | A | -2.8653 | |
| 250 | A | A | 0.0000 | |
| 251 | R | A | 0.0000 | |
| 252 | N | A | -2.3378 | |
| 253 | D | A | -1.9742 | |
| 254 | N | A | -1.5970 | |
| 255 | S | A | -1.1696 | |
| 256 | H | A | -1.6596 | |
| 257 | G | A | -1.1638 | |
| 258 | T | A | 0.0000 | |
| 259 | N | A | -0.7639 | |
| 260 | F | A | -0.2655 | |
| 261 | P | A | -1.2096 | |
| 262 | D | A | -1.7656 | |
| 263 | S | A | -0.9061 | |
| 264 | P | A | -0.9001 | |
| 265 | E | A | 0.0000 | |
| 266 | P | A | -0.7715 | |
| 267 | I | A | 0.0000 | |
| 268 | Y | A | 0.0000 | |
| 269 | G | A | 0.0000 | |
| 270 | T | A | -0.6386 | |
| 271 | Q | A | -0.4784 | |
| 272 | Y | A | 0.0000 | |
| 273 | L | A | 0.0000 | |
| 274 | P | A | 0.0000 | |
| 275 | R | A | -1.0203 | |
| 276 | K | A | -0.8761 | |
| 277 | F | A | 0.0000 | |
| 278 | K | A | -0.6656 | |
| 279 | V | A | 0.0000 | |
| 280 | A | A | 0.0000 | |
| 281 | V | A | 0.0000 | |
| 282 | T | A | 0.0000 | |
| 283 | A | A | 0.0000 | |
| 284 | A | A | -0.5057 | |
| 285 | G | A | -1.0880 | |
| 286 | D | A | -0.9507 | |
| 287 | N | A | 0.0000 | |
| 288 | S | A | 0.0000 | |
| 289 | V | A | 0.0000 | |
| 290 | D | A | 0.0000 | |
| 291 | I | A | 0.0000 | |
| 292 | L | A | 0.0000 | |
| 293 | T | A | 0.0000 | |
| 294 | N | A | 0.0000 | |
| 295 | D | A | 0.0000 | |
| 296 | I | A | 0.0000 | |
| 297 | G | A | 0.0000 | |
| 298 | V | A | 0.0000 | |
| 299 | V | A | 0.0000 | |
| 300 | V | A | 0.0000 | |
| 301 | V | A | -0.5281 | |
| 302 | S | A | -1.5284 | |
| 303 | D | A | -2.0358 | |
| 304 | D | A | -2.4964 | |
| 305 | A | A | -1.6183 | |
| 306 | G | A | -2.2956 | |
| 307 | E | A | -2.5872 | |
| 308 | P | A | 0.0000 | |
| 309 | I | A | -0.4457 | |
| 310 | G | A | 0.0000 | |
| 311 | F | A | 0.0000 | |
| 312 | N | A | 0.0000 | |
| 313 | I | A | 0.0000 | |
| 314 | Y | A | 0.0000 | |
| 315 | V | A | 0.0000 | |
| 316 | G | A | 0.0000 | |
| 317 | G | A | 0.0000 | |
| 318 | G | A | 0.0000 | |
| 319 | M | A | 0.0000 | |
| 320 | G | A | -0.3734 | |
| 321 | R | A | 0.0000 | |
| 322 | T | A | -1.0147 | |
| 323 | H | A | -1.3706 | |
| 324 | R | A | -2.2260 | |
| 325 | V | A | -1.3948 | |
| 326 | E | A | -2.0285 | |
| 327 | T | A | -1.0212 | |
| 328 | T | A | 0.0000 | |
| 329 | F | A | 0.0455 | |
| 330 | P | A | 0.0000 | |
| 331 | R | A | -0.0666 | |
| 332 | L | A | 0.2155 | |
| 333 | A | A | 0.0000 | |
| 334 | D | A | -0.3480 | |
| 335 | P | A | -0.2223 | |
| 336 | L | A | 0.0000 | |
| 337 | G | A | 0.0000 | |
| 338 | Y | A | 0.0000 | |
| 339 | V | A | 0.0000 | |
| 340 | P | A | -1.0058 | |
| 341 | K | A | -1.4825 | |
| 342 | E | A | -2.3277 | |
| 343 | D | A | 0.0000 | |
| 344 | I | A | 0.0000 | |
| 345 | L | A | 0.0000 | |
| 346 | Y | A | -0.3903 | |
| 347 | A | A | 0.0000 | |
| 348 | I | A | 0.0000 | |
| 349 | K | A | 0.0000 | |
| 350 | A | A | 0.0000 | |
| 351 | I | A | 0.0000 | |
| 352 | V | A | 0.0000 | |
| 353 | V | A | 0.0000 | |
| 354 | T | A | 0.0000 | |
| 355 | Q | A | 0.0000 | |
| 356 | R | A | 0.0000 | |
| 357 | E | A | -1.7236 | |
| 358 | N | A | -1.3383 | |
| 359 | G | A | 0.0000 | |
| 360 | R | A | -1.9653 | |
| 361 | R | A | -2.0747 | |
| 362 | D | A | -2.2294 | |
| 363 | D | A | -2.3050 | |
| 364 | R | A | -1.9438 | |
| 365 | K | A | -1.8070 | |
| 366 | Y | A | -1.1098 | |
| 367 | S | A | 0.0000 | |
| 368 | R | A | 0.0000 | |
| 369 | M | A | 0.0000 | |
| 370 | K | A | 0.0000 | |
| 371 | Y | A | 0.0000 | |
| 372 | M | A | 0.0000 | |
| 373 | I | A | 0.0000 | |
| 374 | D | A | -2.0881 | |
| 375 | R | A | -2.5430 | |
| 376 | W | A | -1.9170 | |
| 377 | G | A | -1.9500 | |
| 378 | I | A | -1.7024 | |
| 379 | D | A | -2.6444 | |
| 380 | R | A | -2.9582 | |
| 381 | F | A | 0.0000 | |
| 382 | R | A | -2.0726 | |
| 383 | A | A | -2.1929 | |
| 384 | E | A | -1.6184 | |
| 385 | V | A | 0.0000 | |
| 386 | E | A | -2.4875 | |
| 387 | K | A | -2.6703 | |
| 388 | Y | A | -1.4359 | |
| 389 | Y | A | 0.0000 | |
| 390 | G | A | -2.2560 | |
| 391 | K | A | -3.2243 | |
| 392 | K | A | -3.2311 | |
| 393 | F | A | 0.0000 | |
| 394 | E | A | -1.7397 | |
| 395 | S | A | -0.8705 | |
| 396 | F | A | -0.1870 | |
| 397 | R | A | -0.5451 | |
| 398 | P | A | -0.4969 | |
| 399 | L | A | -0.4073 | |
| 400 | P | A | -1.2313 | |
| 401 | E | A | -2.2571 | |
| 402 | W | A | 0.0000 | |
| 403 | Q | A | -1.7917 | |
| 404 | F | A | -0.6206 | |
| 405 | N | A | -0.7636 | |
| 406 | S | A | -0.2616 | |
| 407 | Y | A | 0.0000 | |
| 408 | L | A | -0.2927 | |
| 409 | G | A | 0.0000 | |
| 410 | W | A | -0.8811 | |
| 411 | Q | A | -1.7099 | |
| 412 | E | A | -2.9363 | |
| 413 | Q | A | 0.0000 | |
| 414 | G | A | -2.3100 | |
| 415 | D | A | -2.7641 | |
| 416 | G | A | -2.5775 | |
| 417 | K | A | -2.8419 | |
| 418 | L | A | 0.0000 | |
| 419 | F | A | 0.0000 | |
| 420 | Y | A | 0.0000 | |
| 421 | G | A | 0.0000 | |
| 422 | V | A | 0.0000 | |
| 423 | H | A | 0.0000 | |
| 424 | V | A | 0.0000 | |
| 425 | D | A | -0.9370 | |
| 426 | N | A | 0.0000 | |
| 427 | G | A | 0.0000 | |
| 428 | R | A | -0.8786 | |
| 429 | V | A | 0.0000 | |
| 430 | G | A | -1.0418 | |
| 431 | G | A | -1.5636 | |
| 432 | Q | A | -2.2989 | |
| 433 | A | A | -1.8039 | |
| 434 | K | A | 0.0000 | |
| 435 | K | A | -2.8042 | |
| 436 | T | A | 0.0000 | |
| 437 | L | A | 0.0000 | |
| 438 | R | A | -2.4222 | |
| 439 | E | A | -3.3515 | |
| 440 | I | A | 0.0000 | |
| 441 | I | A | 0.0000 | |
| 442 | E | A | -3.2795 | |
| 443 | K | A | -3.1032 | |
| 444 | Y | A | -2.1832 | |
| 445 | N | A | -2.7898 | |
| 446 | L | A | 0.0000 | |
| 447 | D | A | -2.4612 | |
| 448 | V | A | 0.0000 | |
| 449 | S | A | 0.0000 | |
| 450 | I | A | 0.0000 | |
| 451 | T | A | 0.0000 | |
| 452 | P | A | 0.0000 | |
| 453 | N | A | 0.0000 | |
| 454 | Q | A | 0.0000 | |
| 455 | N | A | 0.0000 | |
| 456 | L | A | 0.0000 | |
| 457 | I | A | 0.0000 | |
| 458 | L | A | 0.0000 | |
| 459 | C | A | -1.1819 | |
| 460 | G | A | -1.6524 | |
| 461 | I | A | 0.0000 | |
| 462 | D | A | -2.0399 | |
| 463 | Q | A | -2.7005 | |
| 464 | A | A | -1.5431 | |
| 465 | W | A | -1.5091 | |
| 466 | R | A | -2.6395 | |
| 467 | E | A | -2.6018 | |
| 468 | P | A | -1.2816 | |
| 469 | I | A | 0.0000 | |
| 470 | T | A | -1.1987 | |
| 471 | T | A | -1.0326 | |
| 472 | A | A | -0.9874 | |
| 473 | L | A | 0.0000 | |
| 474 | A | A | -0.6531 | |
| 475 | Q | A | -1.4184 | |
| 476 | A | A | -1.3784 | |
| 477 | G | A | -0.9119 | |
| 478 | L | A | 0.0000 | |
| 479 | L | A | -0.7625 | |
| 480 | E | A | -1.3907 | |
| 481 | P | A | -1.5275 | |
| 482 | K | A | -2.6876 | |
| 483 | D | A | -2.6652 | |
| 484 | V | A | -1.4001 | |
| 485 | D | A | -1.8063 | |
| 486 | P | A | -1.1749 | |
| 487 | L | A | 0.0000 | |
| 488 | N | A | -0.4969 | |
| 489 | L | A | -0.2611 | |
| 490 | T | A | -0.1598 | |
| 491 | A | A | -0.0940 | |
| 492 | M | A | 0.0000 | |
| 493 | A | A | 0.0000 | |
| 494 | C | A | 0.0000 | |
| 495 | P | A | -0.2506 | |
| 496 | A | A | 0.0000 | |
| 497 | L | A | -0.5543 | |
| 498 | P | A | -0.6522 | |
| 499 | L | A | -0.1761 | |
| 500 | C | A | 0.2448 | |
| 501 | P | A | 0.2030 | |
| 502 | L | A | 0.8122 | |
| 503 | A | A | 0.0000 | |
| 504 | Q | A | -1.1285 | |
| 505 | T | A | 0.0000 | |
| 506 | E | A | -1.1731 | |
| 507 | A | A | 0.0000 | |
| 508 | E | A | -0.9985 | |
| 509 | R | A | -1.3743 | |
| 510 | G | A | -0.8930 | |
| 511 | I | A | 0.0000 | |
| 512 | L | A | -0.6654 | |
| 513 | P | A | -0.9608 | |
| 514 | I | A | 0.0000 | |
| 515 | L | A | 0.0000 | |
| 516 | K | A | -2.0364 | |
| 517 | R | A | -1.5152 | |
| 518 | I | A | 0.0000 | |
| 519 | R | A | -2.1569 | |
| 520 | A | A | -1.7977 | |
| 521 | V | A | 0.0000 | |
| 522 | F | A | 0.0000 | |
| 523 | N | A | -2.9570 | |
| 524 | K | A | -2.3412 | |
| 525 | V | A | -1.4991 | |
| 526 | G | A | -2.0854 | |
| 527 | I | A | 0.0000 | |
| 528 | K | A | -3.1853 | |
| 529 | D | A | -3.2993 | |
| 530 | S | A | -2.1224 | |
| 531 | E | A | -1.7856 | |
| 532 | S | A | -0.9786 | |
| 533 | V | A | 0.0000 | |
| 534 | V | A | 0.0000 | |
| 535 | V | A | 0.0000 | |
| 536 | R | A | 0.0000 | |
| 537 | I | A | 0.0000 | |
| 538 | T | A | 0.0000 | |
| 539 | G | A | 0.0000 | |
| 540 | C | A | 0.0000 | |
| 541 | P | A | -0.2457 | |
| 542 | N | A | -0.3063 | |
| 543 | G | A | 0.0000 | |
| 544 | C | A | 0.4417 | |
| 545 | A | A | 0.0000 | |
| 546 | R | A | 0.0000 | |
| 547 | P | A | 0.0000 | |
| 548 | Y | A | 0.0000 | |
| 549 | M | A | 0.0000 | |
| 550 | A | A | 0.0000 | |
| 551 | E | A | 0.0000 | |
| 552 | L | A | 0.0000 | |
| 553 | G | A | 0.0000 | |
| 554 | F | A | 0.0000 | |
| 555 | V | A | 0.0000 | |
| 556 | G | A | 0.0000 | |
| 557 | D | A | -1.5684 | |
| 558 | G | A | -1.5618 | |
| 559 | P | A | -1.7443 | |
| 560 | K | A | -2.8356 | |
| 561 | S | A | 0.0000 | |
| 562 | Y | A | 0.0000 | |
| 563 | Q | A | 0.0000 | |
| 564 | I | A | 0.0000 | |
| 565 | W | A | 0.0000 | |
| 566 | L | A | 0.0000 | |
| 567 | G | A | 0.0000 | |
| 568 | G | A | 0.0000 | |
| 569 | T | A | 0.0000 | |
| 570 | P | A | -0.3482 | |
| 571 | N | A | -0.8974 | |
| 572 | Q | A | 0.0000 | |
| 573 | S | A | -0.3545 | |
| 574 | T | A | -0.1490 | |
| 575 | L | A | 0.0577 | |
| 576 | A | A | 0.0000 | |
| 577 | E | A | -1.7800 | |
| 578 | S | A | -0.9764 | |
| 579 | F | A | 0.0000 | |
| 580 | M | A | -0.7286 | |
| 581 | D | A | -1.4491 | |
| 582 | K | A | -2.2092 | |
| 583 | V | A | 0.0000 | |
| 584 | K | A | -3.4847 | |
| 585 | L | A | -2.5085 | |
| 586 | D | A | -3.2794 | |
| 587 | D | A | -3.2027 | |
| 588 | I | A | 0.0000 | |
| 589 | E | A | -1.9175 | |
| 590 | K | A | -2.3710 | |
| 591 | V | A | 0.0000 | |
| 592 | L | A | 0.0000 | |
| 593 | E | A | 0.0000 | |
| 594 | P | A | 0.0000 | |
| 595 | L | A | 0.0000 | |
| 596 | F | A | 0.0000 | |
| 597 | T | A | -0.3468 | |
| 598 | Y | A | -0.1664 | |
| 599 | W | A | 0.0000 | |
| 600 | N | A | -1.0924 | |
| 601 | G | A | -0.9090 | |
| 602 | T | A | -1.1159 | |
| 603 | R | A | -2.1494 | |
| 604 | Q | A | -2.6846 | |
| 605 | E | A | -2.8421 | |
| 606 | G | A | -1.9026 | |
| 607 | E | A | -1.6524 | |
| 608 | S | A | -0.8518 | |
| 609 | F | A | 0.0000 | |
| 610 | G | A | 0.0000 | |
| 611 | S | A | -1.1630 | |
| 612 | F | A | 0.0000 | |
| 613 | T | A | 0.0000 | |
| 614 | N | A | -2.0535 | |
| 615 | R | A | -2.1402 | |
| 616 | T | A | -1.6158 | |
| 617 | G | A | -1.6216 | |
| 618 | F | A | -1.8411 | |
| 619 | D | A | -2.6431 | |
| 620 | K | A | -2.3780 | |
| 621 | L | A | 0.0000 | |
| 622 | K | A | -2.8103 | |
| 623 | E | A | -3.2698 | |
| 624 | V | A | -1.9902 | |
| 625 | V | A | 0.0000 | |
| 626 | N | A | -3.2708 | |
| 627 | K | A | -3.2347 | |
| 628 | W | A | -2.1836 | |
| 629 | A | A | -1.9621 | |
| 630 | E | A | -2.6293 | |
| 631 | S | A | -1.5883 | |
| 632 | P | A | -0.7012 | |
| 633 | S | A | -0.6602 | |
| 634 | A | A | -0.9725 | |
| 635 | A | A | -0.3225 |
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 | -0.5899 | 3.5367 | View | CSV | PDB |
| 4.5 | -0.6499 | 3.5367 | View | CSV | PDB |
| 5.0 | -0.7216 | 3.5367 | View | CSV | PDB |
| 5.5 | -0.7914 | 3.5367 | View | CSV | PDB |
| 6.0 | -0.844 | 3.5367 | View | CSV | PDB |
| 6.5 | -0.8689 | 3.5367 | View | CSV | PDB |
| 7.0 | -0.8662 | 3.5367 | View | CSV | PDB |
| 7.5 | -0.8446 | 3.5367 | View | CSV | PDB |
| 8.0 | -0.8119 | 3.5367 | View | CSV | PDB |
| 8.5 | -0.7704 | 3.5367 | View | CSV | PDB |
| 9.0 | -0.7202 | 3.5367 | 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