| Chain sequence(s) |
A: VPLASRAACEALKDGDMVWPNAATVVEVAAWRDAAPATASAAALPEHCEVSGAIAKRTGIDGYPYEIKFRLRMPAEWNGRFFMEGGSGTNGSLSAATGSIGGGQIASALSRNFATIATDGGHDNAVNDNPDALGTVAFGLDPQARLDMGYNSYDQVTQAGKAAVARFYGRAADKSYFIGCSEGGREGMMLSQRFPSHYDGIVAGAPGYQLPKAGISGAWTTQSLAPAAVGLDAQGVPLINKSFSDADLHLLSQAILGTCDALDGLADGIVDNYRACQAAFDPATAANPANGQALQCVGAKTADCLSPVQVTAIKRAMAGPVNSAGTPLYNRWAWDAGMSGLSGTTYNQGWRSWWLGSFNSSANNAQRVSGFSARSWLVDFATPPEPMPMTQVAARMMKFDFDIDPLKIWATSGQFTQSSMDWHGATSTDLAAFRDRGGKMILYHGMSDAAFSALDTADYYERLGAAMPGAAGFARLFLVPGMNHCSGGPGTDRFDMLTPLVAWVERGEAPDQISAWSGTPGYFGVAARTRPLCPYPQIARYKGSGDINTEANFACAAP
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] (00:00:03)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:03)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with A chain(s) selected (00:00:03)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:03)
[INFO] PDB-Info: The input structure is globular. Max score is recommended for pH analysis. (00:00:05)
[INFO] FoldX: Starting FoldX energy minimization (00:00:05)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:02:32)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/813a13e0bdb6ae/tmp/folded.pdb (00:02:32)
[INFO] Main: Simulation completed successfully. (00:05:19)
|
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 |
|---|---|---|---|---|
| 43 | V | A | 1.7522 | |
| 44 | P | A | 0.8315 | |
| 45 | L | A | 0.6117 | |
| 46 | A | A | -0.2312 | |
| 47 | S | A | -0.6037 | |
| 48 | R | A | -2.0752 | |
| 49 | A | A | -0.9314 | |
| 50 | A | A | -0.6858 | |
| 51 | C | A | 0.0000 | |
| 52 | E | A | -2.6857 | |
| 53 | A | A | -1.8715 | |
| 54 | L | A | 0.0000 | |
| 55 | K | A | -2.9268 | |
| 56 | D | A | -2.9624 | |
| 59 | G | A | -1.6768 | |
| 60 | D | A | -1.9725 | |
| 61 | M | A | -0.6933 | |
| 62 | V | A | 1.1003 | |
| 63 | W | A | 0.4771 | |
| 64 | P | A | -0.0720 | |
| 65 | N | A | -0.1095 | |
| 66 | A | A | 0.3231 | |
| 67 | A | A | -0.2759 | |
| 68 | T | A | 0.0000 | |
| 69 | V | A | -0.5350 | |
| 70 | V | A | 0.0000 | |
| 71 | E | A | -1.9919 | |
| 72 | V | A | -1.0092 | |
| 73 | A | A | -1.6109 | |
| 74 | A | A | -1.2527 | |
| 75 | W | A | -1.6108 | |
| 76 | R | A | -2.1799 | |
| 77 | D | A | -2.5099 | |
| 78 | A | A | -1.3887 | |
| 79 | A | A | -0.7286 | |
| 80 | P | A | -0.3265 | |
| 81 | A | A | 0.1809 | |
| 82 | T | A | 0.0978 | |
| 83 | A | A | 0.2135 | |
| 84 | S | A | 0.2712 | |
| 85 | A | A | 0.5635 | |
| 86 | A | A | 0.4211 | |
| 87 | A | A | 0.0834 | |
| 88 | L | A | -0.4761 | |
| 89 | P | A | -1.3329 | |
| 90 | E | A | -2.1741 | |
| 91 | H | A | 0.0000 | |
| 92 | C | A | 0.0000 | |
| 93 | E | A | 0.0000 | |
| 94 | V | A | 0.0000 | |
| 95 | S | A | 0.0000 | |
| 96 | G | A | 0.0000 | |
| 97 | A | A | -0.7448 | |
| 98 | I | A | 0.0000 | |
| 99 | A | A | -1.0685 | |
| 100 | K | A | -2.0969 | |
| 101 | R | A | -1.2964 | |
| 102 | T | A | -0.4562 | |
| 103 | G | A | 0.0000 | |
| 104 | I | A | 1.4343 | |
| 105 | D | A | 0.4160 | |
| 106 | G | A | 0.0284 | |
| 107 | Y | A | 0.1433 | |
| 108 | P | A | -0.4685 | |
| 109 | Y | A | 0.0000 | |
| 110 | E | A | -1.4987 | |
| 111 | I | A | 0.0000 | |
| 112 | K | A | -0.6483 | |
| 113 | F | A | 0.0000 | |
| 114 | R | A | -0.4958 | |
| 115 | L | A | 0.0000 | |
| 116 | R | A | -0.4844 | |
| 117 | M | A | 0.0000 | |
| 118 | P | A | 0.0000 | |
| 119 | A | A | -1.3824 | |
| 120 | E | A | -2.0559 | |
| 121 | W | A | -1.2027 | |
| 122 | N | A | -1.3567 | |
| 123 | G | A | -1.6007 | |
| 124 | R | A | -1.3506 | |
| 125 | F | A | 0.0000 | |
| 126 | F | A | 0.0000 | |
| 127 | M | A | 0.0000 | |
| 128 | E | A | -0.3704 | |
| 129 | G | A | -0.3307 | |
| 130 | G | A | -0.3577 | |
| 131 | S | A | -0.4576 | |
| 132 | G | A | -0.3001 | |
| 133 | T | A | -0.2223 | |
| 134 | N | A | -0.4214 | |
| 135 | G | A | 0.0000 | |
| 136 | S | A | -0.3615 | |
| 137 | L | A | -0.0278 | |
| 138 | S | A | -0.0762 | |
| 139 | A | A | -0.0511 | |
| 140 | A | A | 0.0000 | |
| 141 | T | A | -0.2224 | |
| 142 | G | A | 0.0000 | |
| 143 | S | A | -0.1924 | |
| 144 | I | A | 0.0000 | |
| 145 | G | A | -0.3679 | |
| 146 | G | A | 0.0000 | |
| 147 | G | A | -0.4208 | |
| 148 | Q | A | 0.0751 | |
| 149 | I | A | 1.4540 | |
| 150 | A | A | 0.5082 | |
| 151 | S | A | 0.0607 | |
| 152 | A | A | 0.0000 | |
| 153 | L | A | 0.0000 | |
| 154 | S | A | -0.2561 | |
| 155 | R | A | -0.9431 | |
| 156 | N | A | -1.2955 | |
| 157 | F | A | 0.0000 | |
| 158 | A | A | 0.0000 | |
| 159 | T | A | 0.0000 | |
| 160 | I | A | 0.0000 | |
| 161 | A | A | 0.0000 | |
| 162 | T | A | -0.2363 | |
| 163 | D | A | 0.0000 | |
| 164 | G | A | 0.0000 | |
| 165 | G | A | 0.0000 | |
| 166 | H | A | 0.0000 | |
| 167 | D | A | -0.4418 | |
| 168 | N | A | -0.5130 | |
| 169 | A | A | 0.0040 | |
| 170 | V | A | 0.5952 | |
| 171 | N | A | 0.0000 | |
| 172 | D | A | -1.4117 | |
| 173 | N | A | -1.3363 | |
| 174 | P | A | -1.4996 | |
| 175 | D | A | -2.1348 | |
| 176 | A | A | 0.0000 | |
| 177 | L | A | 0.0000 | |
| 178 | G | A | 0.0000 | |
| 179 | T | A | -0.5668 | |
| 180 | V | A | 0.0000 | |
| 181 | A | A | 0.0000 | |
| 182 | F | A | 0.0000 | |
| 183 | G | A | 0.0000 | |
| 184 | L | A | 0.3186 | |
| 185 | D | A | 0.0000 | |
| 186 | P | A | -0.2207 | |
| 187 | Q | A | -0.3754 | |
| 188 | A | A | 0.0000 | |
| 189 | R | A | 0.0000 | |
| 190 | L | A | -0.1876 | |
| 191 | D | A | 0.0000 | |
| 192 | M | A | 0.0000 | |
| 193 | G | A | 0.0000 | |
| 194 | Y | A | -0.1032 | |
| 195 | N | A | -0.2306 | |
| 196 | S | A | 0.0000 | |
| 197 | Y | A | 0.0000 | |
| 198 | D | A | -0.5026 | |
| 199 | Q | A | -0.6457 | |
| 200 | V | A | 0.0000 | |
| 201 | T | A | 0.0000 | |
| 202 | Q | A | -1.0027 | |
| 203 | A | A | 0.0000 | |
| 204 | G | A | 0.0000 | |
| 205 | K | A | -1.0684 | |
| 206 | A | A | -0.6483 | |
| 207 | A | A | 0.0000 | |
| 208 | V | A | 0.0000 | |
| 209 | A | A | -1.4536 | |
| 210 | R | A | -1.5963 | |
| 211 | F | A | 0.0000 | |
| 212 | Y | A | 0.0000 | |
| 213 | G | A | -1.5485 | |
| 214 | R | A | -2.5035 | |
| 215 | A | A | -1.8234 | |
| 216 | A | A | -1.7758 | |
| 217 | D | A | -2.5649 | |
| 218 | K | A | -1.6606 | |
| 219 | S | A | 0.0000 | |
| 220 | Y | A | 0.0000 | |
| 221 | F | A | 0.0000 | |
| 222 | I | A | 0.0000 | |
| 223 | G | A | 0.0000 | |
| 224 | C | A | -0.0735 | |
| 225 | S | A | 0.0000 | |
| 226 | E | A | 0.0000 | |
| 227 | G | A | 0.0000 | |
| 228 | G | A | 0.0000 | |
| 229 | R | A | 0.0000 | |
| 230 | E | A | 0.0000 | |
| 231 | G | A | 0.0000 | |
| 232 | M | A | 0.0000 | |
| 233 | M | A | 0.0000 | |
| 234 | L | A | 0.0000 | |
| 235 | S | A | 0.0000 | |
| 236 | Q | A | -0.8450 | |
| 237 | R | A | -0.7959 | |
| 238 | F | A | -0.1309 | |
| 239 | P | A | -0.8771 | |
| 240 | S | A | -0.8284 | |
| 241 | H | A | -0.5567 | |
| 242 | Y | A | 0.0000 | |
| 243 | D | A | -1.2934 | |
| 244 | G | A | 0.0000 | |
| 245 | I | A | 0.0000 | |
| 246 | V | A | 0.0000 | |
| 247 | A | A | 0.0000 | |
| 248 | G | A | 0.0000 | |
| 249 | A | A | 0.0000 | |
| 250 | P | A | 0.0000 | |
| 251 | G | A | 0.0000 | |
| 252 | Y | A | 0.0000 | |
| 253 | Q | A | -0.0813 | |
| 254 | L | A | 0.0468 | |
| 255 | P | A | 0.0000 | |
| 256 | K | A | -0.1345 | |
| 257 | A | A | 0.0000 | |
| 258 | G | A | 0.0000 | |
| 259 | I | A | 0.0000 | |
| 260 | S | A | 0.0000 | |
| 261 | G | A | 0.0000 | |
| 262 | A | A | 0.0000 | |
| 263 | W | A | 0.0000 | |
| 264 | T | A | 0.0000 | |
| 265 | T | A | 0.0000 | |
| 266 | Q | A | -0.5721 | |
| 267 | S | A | 0.0000 | |
| 268 | L | A | 0.0000 | |
| 269 | A | A | 0.1350 | |
| 270 | P | A | 0.1541 | |
| 271 | A | A | 0.0000 | |
| 272 | A | A | 0.8871 | |
| 273 | V | A | 1.6840 | |
| 274 | G | A | 0.9351 | |
| 275 | L | A | 1.1350 | |
| 276 | D | A | 0.0306 | |
| 277 | A | A | -0.4668 | |
| 278 | Q | A | -1.3412 | |
| 279 | G | A | -0.5999 | |
| 280 | V | A | 0.0000 | |
| 281 | P | A | 0.4963 | |
| 282 | L | A | 0.0000 | |
| 283 | I | A | 0.0000 | |
| 284 | N | A | 0.0000 | |
| 285 | K | A | 0.0811 | |
| 286 | S | A | 0.0000 | |
| 287 | F | A | 0.0000 | |
| 288 | S | A | -0.3771 | |
| 289 | D | A | -0.4493 | |
| 290 | A | A | -0.2850 | |
| 291 | D | A | 0.0000 | |
| 292 | L | A | 0.0000 | |
| 293 | H | A | -0.3307 | |
| 294 | L | A | 0.0000 | |
| 295 | L | A | 0.0000 | |
| 296 | S | A | 0.0000 | |
| 297 | Q | A | -0.5988 | |
| 298 | A | A | 0.0000 | |
| 299 | I | A | 0.0000 | |
| 300 | L | A | -0.0965 | |
| 301 | G | A | -0.4264 | |
| 302 | T | A | -0.1992 | |
| 303 | C | A | 0.0000 | |
| 304 | D | A | 0.0000 | |
| 305 | A | A | 0.1559 | |
| 306 | L | A | 0.3373 | |
| 307 | D | A | 0.0000 | |
| 308 | G | A | -0.5362 | |
| 309 | L | A | -0.1582 | |
| 310 | A | A | 0.0748 | |
| 311 | D | A | -0.0796 | |
| 312 | G | A | -0.1298 | |
| 313 | I | A | 0.0000 | |
| 314 | V | A | 0.0000 | |
| 315 | D | A | -0.4192 | |
| 316 | N | A | 0.0000 | |
| 317 | Y | A | 0.0000 | |
| 318 | R | A | -0.8199 | |
| 319 | A | A | -0.3342 | |
| 320 | C | A | 0.0000 | |
| 321 | Q | A | -0.5176 | |
| 322 | A | A | -0.2894 | |
| 323 | A | A | -0.1521 | |
| 324 | F | A | 0.0000 | |
| 325 | D | A | -0.6124 | |
| 326 | P | A | 0.0000 | |
| 327 | A | A | -0.4021 | |
| 328 | T | A | -0.2534 | |
| 329 | A | A | 0.0000 | |
| 330 | A | A | -0.9646 | |
| 331 | N | A | 0.0000 | |
| 332 | P | A | -1.2116 | |
| 333 | A | A | -1.2875 | |
| 334 | N | A | -2.1428 | |
| 335 | G | A | -1.6877 | |
| 336 | Q | A | -1.8623 | |
| 337 | A | A | -0.8560 | |
| 338 | L | A | 0.0000 | |
| 339 | Q | A | -0.3920 | |
| 340 | C | A | 0.0000 | |
| 341 | V | A | 1.1779 | |
| 342 | G | A | 0.1262 | |
| 343 | A | A | -0.3068 | |
| 344 | K | A | -1.1409 | |
| 345 | T | A | -0.8616 | |
| 346 | A | A | -0.8989 | |
| 347 | D | A | -2.0236 | |
| 348 | C | A | -1.0055 | |
| 349 | L | A | 0.0000 | |
| 350 | S | A | -0.0129 | |
| 351 | P | A | 0.2174 | |
| 352 | V | A | 0.5880 | |
| 353 | Q | A | 0.0000 | |
| 354 | V | A | 0.0000 | |
| 355 | T | A | -0.3922 | |
| 356 | A | A | 0.0000 | |
| 357 | I | A | 0.0000 | |
| 358 | K | A | -1.2119 | |
| 359 | R | A | -1.5077 | |
| 360 | A | A | 0.0000 | |
| 361 | M | A | 0.0000 | |
| 362 | A | A | -0.7287 | |
| 363 | G | A | 0.0000 | |
| 364 | P | A | 0.0000 | |
| 365 | V | A | 0.1695 | |
| 366 | N | A | -0.5155 | |
| 367 | S | A | -0.7908 | |
| 368 | A | A | -0.4962 | |
| 369 | G | A | -0.4258 | |
| 370 | T | A | -0.3475 | |
| 371 | P | A | -0.1623 | |
| 372 | L | A | -0.0307 | |
| 373 | Y | A | -0.0136 | |
| 374 | N | A | -0.4171 | |
| 375 | R | A | -0.8421 | |
| 376 | W | A | 0.0000 | |
| 377 | A | A | 0.0000 | |
| 378 | W | A | -0.2181 | |
| 379 | D | A | 0.0000 | |
| 380 | A | A | 0.0000 | |
| 381 | G | A | 0.0000 | |
| 382 | M | A | 0.0000 | |
| 383 | S | A | 0.0000 | |
| 384 | G | A | 0.0472 | |
| 385 | L | A | 0.4087 | |
| 386 | S | A | 0.0244 | |
| 387 | G | A | -0.3871 | |
| 388 | T | A | -0.1187 | |
| 389 | T | A | -0.0251 | |
| 390 | Y | A | 0.1401 | |
| 391 | N | A | 0.0000 | |
| 392 | Q | A | -0.6948 | |
| 393 | G | A | -0.5571 | |
| 394 | W | A | 0.0000 | |
| 395 | R | A | 0.0000 | |
| 396 | S | A | -0.5016 | |
| 397 | W | A | -0.3137 | |
| 398 | W | A | 0.0000 | |
| 399 | L | A | 0.0000 | |
| 400 | G | A | 0.0000 | |
| 401 | S | A | -0.8672 | |
| 402 | F | A | -0.7138 | |
| 403 | N | A | -1.2669 | |
| 404 | S | A | -0.9692 | |
| 405 | S | A | -0.5386 | |
| 406 | A | A | -0.6074 | |
| 407 | N | A | 0.0000 | |
| 408 | N | A | -1.2839 | |
| 409 | A | A | 0.0000 | |
| 410 | Q | A | -0.3945 | |
| 411 | R | A | 0.0000 | |
| 412 | V | A | 0.0000 | |
| 413 | S | A | -0.5006 | |
| 414 | G | A | -0.2065 | |
| 415 | F | A | 0.2631 | |
| 416 | S | A | 0.1211 | |
| 417 | A | A | 0.0000 | |
| 418 | R | A | -0.1037 | |
| 419 | S | A | 0.0000 | |
| 420 | W | A | 0.0000 | |
| 421 | L | A | 0.0000 | |
| 422 | V | A | 0.0000 | |
| 423 | D | A | 0.0000 | |
| 424 | F | A | 0.0000 | |
| 425 | A | A | 0.0000 | |
| 426 | T | A | 0.0000 | |
| 427 | P | A | -0.5326 | |
| 428 | P | A | -0.3312 | |
| 429 | E | A | -0.5691 | |
| 430 | P | A | -0.8920 | |
| 431 | M | A | 0.0000 | |
| 432 | P | A | -0.8490 | |
| 433 | M | A | -0.2844 | |
| 434 | T | A | -0.6064 | |
| 435 | Q | A | -1.1917 | |
| 436 | V | A | 0.0000 | |
| 437 | A | A | 0.0000 | |
| 438 | A | A | -1.0856 | |
| 439 | R | A | -1.1818 | |
| 440 | M | A | 0.0000 | |
| 441 | M | A | -0.9043 | |
| 442 | K | A | -1.9579 | |
| 443 | F | A | 0.0000 | |
| 444 | D | A | -1.2661 | |
| 445 | F | A | -0.3753 | |
| 446 | D | A | -0.4766 | |
| 447 | I | A | 1.3537 | |
| 448 | D | A | 0.0000 | |
| 449 | P | A | 0.0000 | |
| 450 | L | A | 2.0511 | |
| 451 | K | A | 1.1045 | |
| 452 | I | A | 0.0000 | |
| 453 | W | A | 1.1436 | |
| 454 | A | A | 0.5308 | |
| 455 | T | A | -0.4409 | |
| 456 | S | A | -0.7264 | |
| 457 | G | A | -1.1141 | |
| 458 | Q | A | -1.2655 | |
| 459 | F | A | -0.7521 | |
| 460 | T | A | -0.8526 | |
| 461 | Q | A | -0.8169 | |
| 462 | S | A | 0.0000 | |
| 463 | S | A | 0.0000 | |
| 464 | M | A | 0.0000 | |
| 465 | D | A | -1.3200 | |
| 466 | W | A | 0.0000 | |
| 467 | H | A | 0.0000 | |
| 468 | G | A | 0.0000 | |
| 469 | A | A | 0.0000 | |
| 470 | T | A | -0.6297 | |
| 471 | S | A | -0.9495 | |
| 472 | T | A | -1.3844 | |
| 473 | D | A | -1.9902 | |
| 474 | L | A | 0.0000 | |
| 475 | A | A | -1.5321 | |
| 476 | A | A | -1.6083 | |
| 477 | F | A | 0.0000 | |
| 478 | R | A | -2.5369 | |
| 479 | D | A | -2.9892 | |
| 480 | R | A | -3.1135 | |
| 481 | G | A | -2.1642 | |
| 482 | G | A | 0.0000 | |
| 483 | K | A | -1.0523 | |
| 484 | M | A | 0.0000 | |
| 485 | I | A | 0.0000 | |
| 486 | L | A | 0.0000 | |
| 487 | Y | A | 0.0000 | |
| 488 | H | A | 0.0000 | |
| 489 | G | A | 0.0000 | |
| 490 | M | A | 0.0000 | |
| 491 | S | A | 0.0000 | |
| 492 | D | A | 0.0000 | |
| 493 | A | A | 0.0000 | |
| 494 | A | A | 0.0000 | |
| 495 | F | A | 0.0000 | |
| 496 | S | A | 0.0000 | |
| 497 | A | A | 0.0000 | |
| 498 | L | A | 0.0000 | |
| 499 | D | A | 0.0000 | |
| 500 | T | A | 0.0000 | |
| 501 | A | A | 0.0000 | |
| 502 | D | A | -1.2137 | |
| 503 | Y | A | 0.0000 | |
| 504 | Y | A | 0.0000 | |
| 505 | E | A | -2.2754 | |
| 506 | R | A | -2.0087 | |
| 507 | L | A | 0.0000 | |
| 508 | G | A | -1.3095 | |
| 509 | A | A | -0.9514 | |
| 510 | A | A | -0.9562 | |
| 511 | M | A | 0.0000 | |
| 512 | P | A | -0.5632 | |
| 513 | G | A | -0.7392 | |
| 514 | A | A | 0.0000 | |
| 515 | A | A | -0.4875 | |
| 516 | G | A | -1.0443 | |
| 517 | F | A | 0.0000 | |
| 518 | A | A | 0.0000 | |
| 519 | R | A | -0.5729 | |
| 520 | L | A | 0.0000 | |
| 521 | F | A | 0.0000 | |
| 522 | L | A | 0.0000 | |
| 523 | V | A | 0.0000 | |
| 524 | P | A | -0.0852 | |
| 525 | G | A | 0.0000 | |
| 526 | M | A | 0.0000 | |
| 527 | N | A | 0.0000 | |
| 528 | H | A | -0.1948 | |
| 529 | C | A | -0.1865 | |
| 530 | S | A | -0.4587 | |
| 531 | G | A | -0.5534 | |
| 532 | G | A | 0.0000 | |
| 533 | P | A | 0.0000 | |
| 534 | G | A | 0.0000 | |
| 535 | T | A | 0.0000 | |
| 536 | D | A | 0.0000 | |
| 537 | R | A | -0.9771 | |
| 538 | F | A | 0.0000 | |
| 539 | D | A | -0.5044 | |
| 540 | M | A | 0.0000 | |
| 541 | L | A | 0.0000 | |
| 542 | T | A | -0.0636 | |
| 543 | P | A | -0.6990 | |
| 544 | L | A | 0.0000 | |
| 545 | V | A | -0.5810 | |
| 546 | A | A | -1.2378 | |
| 547 | W | A | 0.0000 | |
| 548 | V | A | -1.1509 | |
| 549 | E | A | -1.8812 | |
| 550 | R | A | -2.7428 | |
| 551 | G | A | -2.3798 | |
| 552 | E | A | -2.9451 | |
| 553 | A | A | -2.0100 | |
| 554 | P | A | 0.0000 | |
| 555 | D | A | -2.6775 | |
| 556 | Q | A | -2.1278 | |
| 557 | I | A | 0.0000 | |
| 558 | S | A | -0.6362 | |
| 559 | A | A | 0.0000 | |
| 560 | W | A | -0.0472 | |
| 561 | S | A | 0.0000 | |
| 562 | G | A | -0.4259 | |
| 563 | T | A | -0.1021 | |
| 564 | P | A | 0.0480 | |
| 565 | G | A | -0.0958 | |
| 566 | Y | A | 0.2473 | |
| 567 | F | A | 0.1699 | |
| 568 | G | A | -0.1218 | |
| 569 | V | A | 0.2972 | |
| 570 | A | A | 0.1865 | |
| 571 | A | A | 0.1440 | |
| 572 | R | A | 0.0000 | |
| 573 | T | A | -0.1690 | |
| 574 | R | A | 0.0000 | |
| 575 | P | A | 0.0000 | |
| 576 | L | A | 0.0000 | |
| 577 | C | A | 0.0000 | |
| 578 | P | A | 0.0000 | |
| 579 | Y | A | -0.4083 | |
| 580 | P | A | -0.7041 | |
| 581 | Q | A | -0.9687 | |
| 582 | I | A | 0.0000 | |
| 583 | A | A | 0.0000 | |
| 584 | R | A | -1.0659 | |
| 585 | Y | A | -1.3229 | |
| 586 | K | A | -2.0823 | |
| 587 | G | A | -1.6910 | |
| 588 | S | A | -1.4323 | |
| 589 | G | A | -1.7524 | |
| 590 | D | A | -2.0092 | |
| 591 | I | A | -0.9458 | |
| 592 | N | A | -0.6160 | |
| 593 | T | A | -0.8117 | |
| 594 | E | A | -0.7483 | |
| 595 | A | A | -0.7647 | |
| 596 | N | A | -1.4306 | |
| 597 | F | A | 0.0000 | |
| 598 | A | A | -0.9227 | |
| 599 | C | A | -0.8808 | |
| 600 | A | A | -0.2501 | |
| 601 | A | A | -0.3247 | |
| 602 | P | A | -0.5438 |
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 | -0.0014 | 3.549 | View | CSV | PDB |
| 4.5 | -0.039 | 3.4898 | View | CSV | PDB |
| 5.0 | -0.0833 | 3.4275 | View | CSV | PDB |
| 5.5 | -0.1289 | 3.3661 | View | CSV | PDB |
| 6.0 | -0.1707 | 3.3094 | View | CSV | PDB |
| 6.5 | -0.2047 | 3.2613 | View | CSV | PDB |
| 7.0 | -0.2301 | 3.2219 | View | CSV | PDB |
| 7.5 | -0.249 | 3.1892 | View | CSV | PDB |
| 8.0 | -0.2633 | 3.1638 | View | CSV | PDB |
| 8.5 | -0.2724 | 3.1513 | View | CSV | PDB |
| 9.0 | -0.2741 | 3.1565 | 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