| Chain sequence(s) |
A: KEQFRETDVAKKISHICFGMKSPEEMRQQAHIQVVSKNLYSQDNQHAPLLYGVLDHRMGTSEKDRPCETCGKNLADCLGHYGYIDLELPCFHVGYFRAVIGILQMICKTCCHIMLSQEEKKQFLDYLKRPGLTYLQKRGLKKKISDKCRKKNICHHCGAFNGTVKKCGLLKIIHEKYKTNKKVVDPIVSNFLQSFETAIEHNKEVEPLLGRAQENLNPLVVLNLFKRIPAEDVPLLLMNPEAGKPSDLILTRLLVPPLCIRPSVVSDLKSGTNEDDLTMKLTEIIFLNDVIKKHRISGAKTQMIMEDWDFLQLQCALYINSELSGIPLNMAPKKWTRGFVQRLKGKQGRFRGNLSGKRVDFSGRTVISPDPNLRIDEVAVPVHVAKILTFPEKVNKANINFLRKLVQNGPEVHPGANFIQQRHTQMKRFLKYGNREKMAQELKYGDIVERHLIDGDVVLFNRQPSLHKLSIMAHLARVKPHRTFRFNECVCTPYNADFDGDEMNLHLPQTEEAKAEALVLMGTKANLVTPRNGEPLIAAIQDFLTGAYLLTLKDTFFDRAKACQIIASILVGKDEKIKVRLPPPTILKPVTLWTGKQIFSVILRPSDDNPVRANLRTKGKQYCGKGEDLCANDS
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. (00:00:04)
[INFO] FoldX: Starting FoldX energy minimization (00:00:04)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:11:22)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/349c4ae9c0184e1/tmp/folded.pdb (00:11:22)
[INFO] Main: Simulation completed successfully. (00:21:51)
|
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 | K | A | -2.6177 | |
| 2 | E | A | -2.9652 | |
| 3 | Q | A | -2.0042 | |
| 4 | F | A | -0.6347 | |
| 5 | R | A | -2.3401 | |
| 6 | E | A | -2.5198 | |
| 7 | T | A | -1.7049 | |
| 8 | D | A | -1.5931 | |
| 9 | V | A | -0.0589 | |
| 10 | A | A | -0.8598 | |
| 11 | K | A | -1.7671 | |
| 12 | K | A | -1.4909 | |
| 13 | I | A | 0.7438 | |
| 14 | S | A | 0.1109 | |
| 15 | H | A | 0.6821 | |
| 16 | I | A | 2.6374 | |
| 17 | C | A | 2.3213 | |
| 18 | F | A | 2.4359 | |
| 19 | G | A | 0.2006 | |
| 20 | M | A | -0.6440 | |
| 21 | K | A | -2.4083 | |
| 22 | S | A | -2.0399 | |
| 23 | P | A | 0.0000 | |
| 24 | E | A | -3.6260 | |
| 25 | E | A | -3.5863 | |
| 26 | M | A | 0.0000 | |
| 27 | R | A | -3.9979 | |
| 28 | Q | A | -3.2520 | |
| 29 | Q | A | -2.4770 | |
| 30 | A | A | -1.8807 | |
| 31 | H | A | -1.8336 | |
| 32 | I | A | 0.0000 | |
| 33 | Q | A | -0.3245 | |
| 34 | V | A | 0.0000 | |
| 35 | V | A | 0.7889 | |
| 36 | S | A | -0.1508 | |
| 37 | K | A | -1.7026 | |
| 38 | N | A | -1.1708 | |
| 39 | L | A | -0.5053 | |
| 40 | Y | A | -0.9106 | |
| 41 | S | A | -1.6198 | |
| 42 | Q | A | -2.5976 | |
| 43 | D | A | -3.0748 | |
| 44 | N | A | -3.0501 | |
| 45 | Q | A | -2.8594 | |
| 46 | H | A | -2.5456 | |
| 47 | A | A | -1.2080 | |
| 48 | P | A | 0.0047 | |
| 49 | L | A | 0.9471 | |
| 50 | L | A | 2.0288 | |
| 51 | Y | A | 1.5545 | |
| 52 | G | A | 0.0000 | |
| 53 | V | A | 0.0000 | |
| 54 | L | A | 0.0000 | |
| 55 | D | A | 0.0000 | |
| 56 | H | A | 0.0000 | |
| 57 | R | A | -0.9251 | |
| 58 | M | A | 0.0000 | |
| 59 | G | A | 0.0000 | |
| 60 | T | A | 0.0000 | |
| 61 | S | A | -0.1630 | |
| 62 | E | A | -1.8205 | |
| 63 | K | A | -3.1657 | |
| 64 | D | A | -3.2031 | |
| 65 | R | A | -2.8758 | |
| 66 | P | A | -2.6694 | |
| 67 | C | A | 0.0000 | |
| 68 | E | A | -2.3109 | |
| 69 | T | A | -1.2746 | |
| 70 | C | A | -0.9260 | |
| 71 | G | A | -1.5905 | |
| 72 | K | A | -2.2703 | |
| 73 | N | A | -2.5838 | |
| 74 | L | A | -1.4034 | |
| 75 | A | A | -1.1038 | |
| 76 | D | A | -1.8151 | |
| 77 | C | A | 0.0000 | |
| 78 | L | A | 1.1670 | |
| 79 | G | A | 0.2657 | |
| 80 | H | A | -0.1380 | |
| 81 | Y | A | -0.7163 | |
| 82 | G | A | 0.0000 | |
| 83 | Y | A | 0.0000 | |
| 84 | I | A | 0.0000 | |
| 85 | D | A | -1.3237 | |
| 86 | L | A | 0.0000 | |
| 87 | E | A | -1.2302 | |
| 88 | L | A | 0.0000 | |
| 89 | P | A | 0.0297 | |
| 90 | C | A | 0.0000 | |
| 91 | F | A | 0.0000 | |
| 92 | H | A | -0.3081 | |
| 93 | V | A | -0.1583 | |
| 94 | G | A | -0.3546 | |
| 95 | Y | A | -0.3925 | |
| 96 | F | A | 0.0000 | |
| 97 | R | A | -2.1341 | |
| 98 | A | A | -0.8292 | |
| 99 | V | A | 0.0000 | |
| 100 | I | A | 0.0000 | |
| 101 | G | A | -1.2637 | |
| 102 | I | A | 0.0000 | |
| 103 | L | A | 0.0000 | |
| 104 | Q | A | -1.1500 | |
| 105 | M | A | 0.0000 | |
| 106 | I | A | 0.0000 | |
| 107 | C | A | 0.0000 | |
| 108 | K | A | -0.2904 | |
| 109 | T | A | -0.1810 | |
| 110 | C | A | -0.2520 | |
| 111 | C | A | 0.0000 | |
| 112 | H | A | -0.8346 | |
| 113 | I | A | 0.0000 | |
| 114 | M | A | 0.0000 | |
| 115 | L | A | 0.0000 | |
| 116 | S | A | -2.0101 | |
| 117 | Q | A | -2.7992 | |
| 118 | E | A | -3.3606 | |
| 119 | E | A | -2.7731 | |
| 120 | K | A | -2.5584 | |
| 121 | K | A | -3.6136 | |
| 122 | Q | A | -3.0951 | |
| 123 | F | A | 0.0000 | |
| 124 | L | A | -2.3186 | |
| 125 | D | A | -3.1187 | |
| 126 | Y | A | -1.8533 | |
| 127 | L | A | -1.9272 | |
| 128 | K | A | -2.9011 | |
| 129 | R | A | -2.9137 | |
| 130 | P | A | -1.6045 | |
| 131 | G | A | -1.0344 | |
| 132 | L | A | -0.4724 | |
| 133 | T | A | 0.2957 | |
| 134 | Y | A | 1.1217 | |
| 135 | L | A | 1.0418 | |
| 136 | Q | A | -0.7586 | |
| 137 | K | A | -1.3903 | |
| 138 | R | A | -2.5253 | |
| 139 | G | A | -2.2005 | |
| 140 | L | A | 0.0000 | |
| 141 | K | A | -3.2703 | |
| 142 | K | A | -3.6979 | |
| 143 | K | A | -3.2695 | |
| 144 | I | A | 0.0000 | |
| 145 | S | A | 0.0000 | |
| 146 | D | A | -2.9182 | |
| 147 | K | A | -2.6297 | |
| 148 | C | A | 0.0000 | |
| 149 | R | A | -3.4736 | |
| 150 | K | A | -3.1770 | |
| 151 | K | A | -2.1297 | |
| 152 | N | A | -1.3851 | |
| 153 | I | A | 0.4077 | |
| 154 | C | A | 0.0000 | |
| 155 | H | A | -0.9568 | |
| 156 | H | A | -0.5830 | |
| 157 | C | A | 0.1421 | |
| 158 | G | A | -0.1129 | |
| 159 | A | A | 0.3050 | |
| 160 | F | A | 0.5889 | |
| 161 | N | A | 0.0000 | |
| 162 | G | A | -1.1290 | |
| 163 | T | A | -1.2873 | |
| 164 | V | A | 0.0000 | |
| 165 | K | A | -1.8912 | |
| 166 | K | A | -2.1640 | |
| 167 | C | A | -0.7087 | |
| 168 | G | A | -0.5367 | |
| 169 | L | A | -0.1816 | |
| 170 | L | A | 0.0000 | |
| 171 | K | A | -0.9777 | |
| 172 | I | A | 0.0000 | |
| 173 | I | A | -1.0928 | |
| 174 | H | A | 0.0000 | |
| 175 | E | A | -1.3799 | |
| 176 | K | A | -0.8042 | |
| 177 | Y | A | -1.3733 | |
| 178 | K | A | -2.1070 | |
| 179 | T | A | -2.0595 | |
| 180 | N | A | -2.6814 | |
| 181 | K | A | -2.6610 | |
| 182 | K | A | -2.1640 | |
| 183 | V | A | 0.0378 | |
| 184 | V | A | -0.9988 | |
| 185 | D | A | -1.7789 | |
| 186 | P | A | -0.9583 | |
| 187 | I | A | -0.3567 | |
| 188 | V | A | 0.0000 | |
| 189 | S | A | -1.0795 | |
| 190 | N | A | -1.6115 | |
| 191 | F | A | -0.6639 | |
| 192 | L | A | -1.1228 | |
| 193 | Q | A | -1.8582 | |
| 194 | S | A | -1.2473 | |
| 195 | F | A | -1.3252 | |
| 196 | E | A | -2.6498 | |
| 197 | T | A | -1.8437 | |
| 198 | A | A | -2.0076 | |
| 199 | I | A | -2.7232 | |
| 200 | E | A | -3.1208 | |
| 201 | H | A | -2.7577 | |
| 202 | N | A | -2.9853 | |
| 203 | K | A | -3.5325 | |
| 204 | E | A | -3.1103 | |
| 205 | V | A | -2.5896 | |
| 206 | E | A | -2.7823 | |
| 207 | P | A | -1.6065 | |
| 208 | L | A | -1.0479 | |
| 209 | L | A | -0.9920 | |
| 210 | G | A | -1.4472 | |
| 211 | R | A | -2.0422 | |
| 212 | A | A | -1.1953 | |
| 213 | Q | A | -1.5445 | |
| 214 | E | A | -1.3326 | |
| 215 | N | A | -1.2350 | |
| 216 | L | A | 0.0000 | |
| 217 | N | A | -0.2262 | |
| 218 | P | A | 0.0000 | |
| 219 | L | A | 0.7603 | |
| 220 | V | A | 0.7101 | |
| 221 | V | A | 0.0000 | |
| 222 | L | A | -0.3148 | |
| 223 | N | A | -0.8971 | |
| 224 | L | A | 0.0000 | |
| 225 | F | A | 0.0000 | |
| 226 | K | A | -2.7408 | |
| 227 | R | A | -2.5235 | |
| 228 | I | A | 0.0000 | |
| 229 | P | A | -1.4406 | |
| 230 | A | A | -1.5471 | |
| 231 | E | A | -1.8195 | |
| 232 | D | A | 0.0000 | |
| 233 | V | A | 0.0000 | |
| 234 | P | A | -0.6870 | |
| 235 | L | A | 0.0000 | |
| 236 | L | A | 0.0000 | |
| 237 | L | A | 0.0000 | |
| 238 | M | A | -1.0293 | |
| 239 | N | A | -1.4837 | |
| 240 | P | A | -1.9015 | |
| 241 | E | A | -2.4399 | |
| 242 | A | A | -1.1445 | |
| 243 | G | A | 0.0000 | |
| 244 | K | A | -1.8430 | |
| 245 | P | A | 0.0000 | |
| 246 | S | A | -1.1972 | |
| 247 | D | A | -1.1159 | |
| 248 | L | A | 0.0000 | |
| 249 | I | A | 0.0000 | |
| 250 | L | A | 0.0000 | |
| 251 | T | A | -0.6413 | |
| 252 | R | A | -1.3628 | |
| 253 | L | A | 0.0000 | |
| 254 | L | A | -0.3291 | |
| 255 | V | A | 0.0000 | |
| 256 | P | A | 0.0000 | |
| 257 | P | A | 0.0000 | |
| 258 | L | A | 0.0000 | |
| 259 | C | A | 1.4399 | |
| 260 | I | A | 2.0922 | |
| 261 | R | A | 0.0000 | |
| 262 | P | A | 0.9631 | |
| 263 | S | A | 0.4841 | |
| 264 | V | A | 0.9728 | |
| 265 | V | A | 1.2421 | |
| 266 | S | A | -0.1961 | |
| 267 | D | A | -1.3491 | |
| 268 | L | A | -0.3075 | |
| 269 | K | A | -1.7884 | |
| 270 | S | A | -1.2410 | |
| 271 | G | A | -1.1949 | |
| 272 | T | A | -0.9053 | |
| 273 | N | A | -0.8984 | |
| 274 | E | A | -0.2517 | |
| 275 | D | A | 0.0000 | |
| 276 | D | A | -0.4838 | |
| 277 | L | A | 0.0000 | |
| 278 | T | A | 0.0000 | |
| 279 | M | A | -0.4609 | |
| 280 | K | A | 0.0000 | |
| 281 | L | A | 0.0000 | |
| 282 | T | A | -0.6661 | |
| 283 | E | A | -0.9173 | |
| 284 | I | A | 0.0000 | |
| 285 | I | A | 0.0000 | |
| 286 | F | A | -0.4088 | |
| 287 | L | A | 0.0000 | |
| 288 | N | A | -1.5860 | |
| 289 | D | A | -2.7604 | |
| 290 | V | A | -1.8003 | |
| 291 | I | A | 0.0000 | |
| 292 | K | A | -3.0373 | |
| 293 | K | A | -2.9763 | |
| 294 | H | A | -2.4105 | |
| 295 | R | A | -2.5485 | |
| 296 | I | A | -0.0648 | |
| 297 | S | A | -0.9805 | |
| 298 | G | A | -1.1154 | |
| 299 | A | A | -1.6936 | |
| 300 | K | A | -2.4082 | |
| 301 | T | A | -1.8871 | |
| 302 | Q | A | -1.9743 | |
| 303 | M | A | -1.7340 | |
| 304 | I | A | 0.0000 | |
| 305 | M | A | -1.0702 | |
| 306 | E | A | -1.9298 | |
| 307 | D | A | -1.3666 | |
| 308 | W | A | 0.0000 | |
| 309 | D | A | -0.8472 | |
| 310 | F | A | -0.4190 | |
| 311 | L | A | 0.0000 | |
| 312 | Q | A | 0.0000 | |
| 313 | L | A | 0.0000 | |
| 314 | Q | A | -0.2595 | |
| 315 | C | A | 0.0000 | |
| 316 | A | A | 0.0000 | |
| 317 | L | A | 0.0000 | |
| 318 | Y | A | 0.0522 | |
| 319 | I | A | 0.0000 | |
| 320 | N | A | -0.2264 | |
| 321 | S | A | -0.6561 | |
| 322 | E | A | -1.1712 | |
| 323 | L | A | -0.5274 | |
| 324 | S | A | -0.5395 | |
| 325 | G | A | -0.1916 | |
| 326 | I | A | 0.1140 | |
| 327 | P | A | 0.2512 | |
| 328 | L | A | 0.7006 | |
| 329 | N | A | -0.4786 | |
| 330 | M | A | -0.4143 | |
| 331 | A | A | -0.4061 | |
| 332 | P | A | -1.1852 | |
| 333 | K | A | -2.1806 | |
| 334 | K | A | -2.0561 | |
| 335 | W | A | -0.6783 | |
| 336 | T | A | 0.0000 | |
| 337 | R | A | -0.9940 | |
| 338 | G | A | 0.0000 | |
| 339 | F | A | 0.9284 | |
| 340 | V | A | -0.0077 | |
| 341 | Q | A | 0.0000 | |
| 342 | R | A | -1.4317 | |
| 343 | L | A | -1.5530 | |
| 344 | K | A | -2.5810 | |
| 345 | G | A | -2.9385 | |
| 346 | K | A | -3.7578 | |
| 347 | Q | A | -3.5044 | |
| 348 | G | A | 0.0000 | |
| 349 | R | A | -2.5900 | |
| 350 | F | A | -1.3814 | |
| 351 | R | A | -3.3077 | |
| 352 | G | A | -3.2763 | |
| 353 | N | A | -2.6467 | |
| 354 | L | A | -0.0980 | |
| 355 | S | A | -1.0859 | |
| 356 | G | A | -1.5812 | |
| 357 | K | A | -2.6443 | |
| 358 | R | A | -2.4038 | |
| 359 | V | A | -0.4164 | |
| 360 | D | A | -1.2164 | |
| 361 | F | A | 0.1524 | |
| 362 | S | A | -0.4694 | |
| 363 | G | A | -0.8442 | |
| 364 | R | A | -2.4435 | |
| 365 | T | A | 0.0000 | |
| 366 | V | A | -1.3029 | |
| 367 | I | A | 0.0000 | |
| 368 | S | A | -1.0072 | |
| 369 | P | A | -0.7696 | |
| 370 | D | A | 0.0000 | |
| 371 | P | A | -1.1724 | |
| 372 | N | A | -1.4622 | |
| 373 | L | A | 0.0000 | |
| 374 | R | A | -1.6206 | |
| 375 | I | A | -0.9609 | |
| 376 | D | A | -0.8235 | |
| 377 | E | A | -1.1064 | |
| 378 | V | A | 0.0000 | |
| 379 | A | A | 0.0000 | |
| 380 | V | A | 0.0000 | |
| 381 | P | A | 0.0000 | |
| 382 | V | A | -0.6571 | |
| 383 | H | A | -1.1806 | |
| 384 | V | A | -0.3484 | |
| 385 | A | A | 0.0000 | |
| 386 | K | A | 0.1791 | |
| 387 | I | A | 1.6410 | |
| 388 | L | A | 0.0000 | |
| 389 | T | A | 0.0000 | |
| 390 | F | A | 0.0000 | |
| 391 | P | A | -0.6838 | |
| 392 | E | A | -1.2365 | |
| 393 | K | A | -1.9631 | |
| 394 | V | A | 0.0000 | |
| 395 | N | A | -1.4966 | |
| 396 | K | A | -2.0411 | |
| 397 | A | A | -1.0168 | |
| 398 | N | A | -1.1480 | |
| 399 | I | A | -1.4296 | |
| 400 | N | A | -1.9223 | |
| 401 | F | A | -0.7365 | |
| 402 | L | A | 0.0000 | |
| 403 | R | A | -2.8385 | |
| 404 | K | A | -2.7006 | |
| 405 | L | A | 0.0000 | |
| 406 | V | A | 0.0000 | |
| 407 | Q | A | -2.4421 | |
| 408 | N | A | -1.5156 | |
| 409 | G | A | 0.0000 | |
| 410 | P | A | -0.4550 | |
| 411 | E | A | -1.3208 | |
| 412 | V | A | -0.3955 | |
| 413 | H | A | -0.2772 | |
| 414 | P | A | -0.7141 | |
| 415 | G | A | 0.0000 | |
| 416 | A | A | 0.0000 | |
| 417 | N | A | -0.2020 | |
| 418 | F | A | -0.3665 | |
| 419 | I | A | 0.0000 | |
| 420 | Q | A | -1.9843 | |
| 421 | Q | A | -2.7045 | |
| 422 | R | A | -2.4455 | |
| 423 | H | A | -2.0251 | |
| 424 | T | A | -1.7299 | |
| 425 | Q | A | -1.7027 | |
| 426 | M | A | -0.9992 | |
| 427 | K | A | -2.2140 | |
| 428 | R | A | -2.0034 | |
| 429 | F | A | -0.2721 | |
| 430 | L | A | 0.0000 | |
| 431 | K | A | -0.9677 | |
| 432 | Y | A | 0.1295 | |
| 433 | G | A | -1.2889 | |
| 434 | N | A | -2.4761 | |
| 435 | R | A | -2.8383 | |
| 436 | E | A | -3.6045 | |
| 437 | K | A | -3.8597 | |
| 438 | M | A | 0.0000 | |
| 439 | A | A | 0.0000 | |
| 440 | Q | A | -3.6666 | |
| 441 | E | A | -3.3605 | |
| 442 | L | A | 0.0000 | |
| 443 | K | A | -1.8169 | |
| 444 | Y | A | -0.4860 | |
| 445 | G | A | -1.1425 | |
| 446 | D | A | 0.0000 | |
| 447 | I | A | -1.1311 | |
| 448 | V | A | 0.0000 | |
| 449 | E | A | 0.0000 | |
| 450 | R | A | 0.0000 | |
| 451 | H | A | 0.0000 | |
| 452 | L | A | 0.0000 | |
| 453 | I | A | -0.6764 | |
| 454 | D | A | -1.8833 | |
| 455 | G | A | -1.0711 | |
| 456 | D | A | 0.0000 | |
| 457 | V | A | 0.0000 | |
| 458 | V | A | 0.0000 | |
| 459 | L | A | 0.2984 | |
| 460 | F | A | 0.0000 | |
| 461 | N | A | -1.0806 | |
| 462 | R | A | -1.5575 | |
| 463 | Q | A | -1.8477 | |
| 464 | P | A | -0.7292 | |
| 465 | S | A | -0.4841 | |
| 466 | L | A | 0.6559 | |
| 467 | H | A | -0.2922 | |
| 468 | K | A | -1.5994 | |
| 469 | L | A | 0.0000 | |
| 470 | S | A | 0.0000 | |
| 471 | I | A | -0.0968 | |
| 472 | M | A | 0.0000 | |
| 473 | A | A | 0.0000 | |
| 474 | H | A | 0.0000 | |
| 475 | L | A | -0.3867 | |
| 476 | A | A | 0.0000 | |
| 477 | R | A | -1.1410 | |
| 478 | V | A | -0.8952 | |
| 479 | K | A | -1.4258 | |
| 480 | P | A | -1.3959 | |
| 481 | H | A | -2.2585 | |
| 482 | R | A | -2.5635 | |
| 483 | T | A | -1.7838 | |
| 484 | F | A | 0.0000 | |
| 485 | R | A | -1.0186 | |
| 486 | F | A | 0.0000 | |
| 487 | N | A | -1.0226 | |
| 488 | E | A | -0.8830 | |
| 489 | C | A | -0.0902 | |
| 490 | V | A | 0.0000 | |
| 491 | C | A | -0.6595 | |
| 492 | T | A | -0.6185 | |
| 493 | P | A | 0.0000 | |
| 494 | Y | A | 0.0000 | |
| 495 | N | A | -1.5447 | |
| 496 | A | A | -2.0831 | |
| 497 | D | A | -2.8833 | |
| 498 | F | A | -2.1962 | |
| 499 | D | A | -2.7110 | |
| 500 | G | A | -1.9060 | |
| 501 | D | A | -2.1743 | |
| 502 | E | A | -2.7849 | |
| 503 | M | A | 0.0000 | |
| 504 | N | A | -1.5847 | |
| 505 | L | A | 0.0000 | |
| 506 | H | A | -0.4638 | |
| 507 | L | A | 0.0000 | |
| 508 | P | A | -1.1465 | |
| 509 | Q | A | -1.2371 | |
| 510 | T | A | -1.9168 | |
| 511 | E | A | -3.2822 | |
| 512 | E | A | -3.2166 | |
| 513 | A | A | -1.9659 | |
| 514 | K | A | -1.3973 | |
| 515 | A | A | -1.0818 | |
| 516 | E | A | -1.1994 | |
| 517 | A | A | 0.0000 | |
| 518 | L | A | 1.0420 | |
| 519 | V | A | 2.0579 | |
| 520 | L | A | 1.9460 | |
| 521 | M | A | 0.9604 | |
| 522 | G | A | 0.0000 | |
| 523 | T | A | 0.0000 | |
| 524 | K | A | -0.8741 | |
| 525 | A | A | 0.4327 | |
| 526 | N | A | 0.0000 | |
| 527 | L | A | 0.1888 | |
| 528 | V | A | -0.2110 | |
| 529 | T | A | 0.0000 | |
| 530 | P | A | -1.9368 | |
| 531 | R | A | -3.0246 | |
| 532 | N | A | -2.8634 | |
| 533 | G | A | -2.1137 | |
| 534 | E | A | -2.2965 | |
| 535 | P | A | -0.6737 | |
| 536 | L | A | 0.0828 | |
| 537 | I | A | 0.0000 | |
| 538 | A | A | 0.4821 | |
| 539 | A | A | 0.0726 | |
| 540 | I | A | -0.3837 | |
| 541 | Q | A | -1.5595 | |
| 542 | D | A | -1.5999 | |
| 543 | F | A | -0.0577 | |
| 544 | L | A | 0.7164 | |
| 545 | T | A | 0.2078 | |
| 546 | G | A | 0.4043 | |
| 547 | A | A | 1.1719 | |
| 548 | Y | A | 1.9382 | |
| 549 | L | A | 1.3840 | |
| 550 | L | A | 0.8575 | |
| 551 | T | A | 0.0139 | |
| 552 | L | A | -0.7414 | |
| 553 | K | A | -2.5825 | |
| 554 | D | A | -2.2181 | |
| 555 | T | A | -0.6689 | |
| 556 | F | A | -0.1878 | |
| 557 | F | A | -0.7922 | |
| 558 | D | A | -2.3998 | |
| 559 | R | A | -2.9544 | |
| 560 | A | A | -1.9910 | |
| 561 | K | A | -2.1379 | |
| 562 | A | A | 0.0000 | |
| 563 | C | A | -1.0984 | |
| 564 | Q | A | -1.4557 | |
| 565 | I | A | 0.1256 | |
| 566 | I | A | 0.0000 | |
| 567 | A | A | -0.2319 | |
| 568 | S | A | 0.1577 | |
| 569 | I | A | 0.7573 | |
| 570 | L | A | -0.5721 | |
| 571 | V | A | -0.3015 | |
| 572 | G | A | -1.6313 | |
| 573 | K | A | -2.5041 | |
| 574 | D | A | -2.0421 | |
| 575 | E | A | -2.8188 | |
| 576 | K | A | -2.9819 | |
| 577 | I | A | -2.1401 | |
| 578 | K | A | -2.4585 | |
| 579 | V | A | -1.0205 | |
| 580 | R | A | -0.9317 | |
| 581 | L | A | -0.3070 | |
| 582 | P | A | 0.0000 | |
| 583 | P | A | -0.1991 | |
| 584 | P | A | 0.1471 | |
| 585 | T | A | 0.6190 | |
| 586 | I | A | 1.0697 | |
| 587 | L | A | 1.1955 | |
| 588 | K | A | -0.6009 | |
| 589 | P | A | -0.1257 | |
| 590 | V | A | 0.6117 | |
| 591 | T | A | 0.1716 | |
| 592 | L | A | -0.0962 | |
| 593 | W | A | 0.0000 | |
| 594 | T | A | -0.5345 | |
| 595 | G | A | 0.0000 | |
| 596 | K | A | -0.5668 | |
| 597 | Q | A | -0.0867 | |
| 598 | I | A | 0.0000 | |
| 599 | F | A | 1.1406 | |
| 600 | S | A | 0.6673 | |
| 601 | V | A | 0.0000 | |
| 602 | I | A | 2.2185 | |
| 603 | L | A | 1.3330 | |
| 604 | R | A | -0.4152 | |
| 605 | P | A | -0.2704 | |
| 606 | S | A | -1.7148 | |
| 607 | D | A | -3.0647 | |
| 608 | D | A | -2.9687 | |
| 609 | N | A | -1.9217 | |
| 610 | P | A | -1.1967 | |
| 611 | V | A | -0.7818 | |
| 612 | R | A | -1.7802 | |
| 613 | A | A | -0.8120 | |
| 614 | N | A | -1.2515 | |
| 615 | L | A | -0.1598 | |
| 616 | R | A | -2.2026 | |
| 617 | T | A | -2.0484 | |
| 618 | K | A | -3.1730 | |
| 619 | G | A | -2.5955 | |
| 620 | K | A | -2.6613 | |
| 621 | Q | A | -2.6423 | |
| 622 | Y | A | -2.5910 | |
| 623 | C | A | -1.6376 | |
| 624 | G | A | -1.8794 | |
| 625 | K | A | -2.3013 | |
| 626 | G | A | 0.0000 | |
| 627 | E | A | -3.1132 | |
| 628 | D | A | -2.7121 | |
| 629 | L | A | -0.4399 | |
| 630 | C | A | -1.5659 | |
| 631 | A | A | -1.1117 | |
| 632 | N | A | -1.7621 | |
| 633 | D | A | -2.2001 | |
| 634 | S | A | -1.9152 |
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 | -0.9359 | 5.4996 | View | CSV | PDB |
| 4.5 | -1.004 | 5.5009 | View | CSV | PDB |
| 5.0 | -1.0851 | 5.505 | View | CSV | PDB |
| 5.5 | -1.1608 | 5.5156 | View | CSV | PDB |
| 6.0 | -1.2103 | 5.537 | View | CSV | PDB |
| 6.5 | -1.2198 | 5.5657 | View | CSV | PDB |
| 7.0 | -1.1908 | 5.5901 | View | CSV | PDB |
| 7.5 | -1.1361 | 5.6037 | View | CSV | PDB |
| 8.0 | -1.0671 | 5.6092 | View | CSV | PDB |
| 8.5 | -0.988 | 5.6111 | View | CSV | PDB |
| 9.0 | -0.8986 | 5.6117 | 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