| Chain sequence(s) | GVGNASGDWHCDSTWSEGHVTTTSTRTWVLPTYNNHLYKRLGESLQSNTYNGFSTPWGYFDFNRFHCHFSPRDWQRLINNNWGMRPKAMRVKIFNIQVKEVTTSNGETTVANNLTSTVQIFADSSYELPYVMDAGQEGSLPPFPNDVFMVPQYGYCGLVTGNTSQQQTDRNAFYCLEYFPSQMLRTGNNFEITYSFEKVPFHSMYAHSQSLDRLMNPLIDQYLWGLQSTTTGTTLNAGTATTNFTKLRPTNFSNFKKNWLPGPSIKQQGFSKTANQNYKIPATGSDSLIKYETHSTLDGRWSALTPGPPMATAGPADSKFSNSQLIFAGPKQNGNTATVPGTLIFTSEEELAATNATDTDMWGNLPGGDQSNSNLPTVDRLTALGAVPGMVWQNRDIYYQGPIWAKIPHTDGHFHPSPLIGGFGLKHPPPQIFIKNTPVPANPATTFSSTPVNSFITQYSTGQVSVQIDWEIQKERSKRWNPEVQFTSNYGQQNSLLWAPDAAGKYTEPRAIGTRYLTHHL input PDB |
| Selected Chain(s) | A |
| Distance of aggregation | 10 Å |
| FoldX usage | Yes |
| pH calculations | Yes |
| 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. (00:00:03)
[INFO] FoldX: Starting FoldX energy minimization (00:00:03)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:03:34)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/be518983feeed2/tmp/folded.pdb (00:03:34)
[INFO] Main: Simulation completed successfully. (00:12:45)
|
The table below lists A3D score for protein residues. Residues with A3D score > 0.0000 are marked by yellow rows.
| residue index | residue name | chain | Aggrescan3D score | mutation |
|---|---|---|---|---|
| residue index | residue name | chain | Aggrescan3D score | |
| 18 | G | A | -0.5173 | |
| 19 | V | A | 0.6411 | |
| 20 | G | A | -0.4039 | |
| 21 | N | A | -1.2611 | |
| 22 | A | A | -1.0909 | |
| 23 | S | A | -1.1370 | |
| 24 | G | A | -1.3647 | |
| 25 | D | A | -1.5978 | |
| 26 | W | A | -0.4161 | |
| 27 | H | A | -0.8982 | |
| 28 | C | A | -0.5385 | |
| 29 | D | A | -1.0496 | |
| 30 | S | A | -0.6410 | |
| 31 | T | A | -0.4120 | |
| 32 | W | A | -0.7426 | |
| 33 | S | A | -1.2062 | |
| 34 | E | A | -2.3584 | |
| 35 | G | A | -1.7148 | |
| 36 | H | A | -1.5501 | |
| 37 | V | A | 0.0000 | |
| 38 | T | A | -0.6260 | |
| 39 | T | A | 0.0000 | |
| 40 | T | A | 0.0000 | |
| 41 | S | A | 0.0000 | |
| 42 | T | A | 0.0000 | |
| 43 | R | A | 0.0000 | |
| 44 | T | A | 0.2767 | |
| 45 | W | A | 0.0000 | |
| 46 | V | A | 1.0108 | |
| 47 | L | A | 0.0000 | |
| 48 | P | A | 0.1076 | |
| 49 | T | A | -0.2432 | |
| 50 | Y | A | -0.2219 | |
| 51 | N | A | -0.6667 | |
| 52 | N | A | -1.1543 | |
| 53 | H | A | -0.3266 | |
| 54 | L | A | 0.3331 | |
| 55 | Y | A | -0.0954 | |
| 56 | K | A | -1.3046 | |
| 57 | R | A | -1.1467 | |
| 58 | L | A | -0.6454 | |
| 59 | G | A | -1.0561 | |
| 60 | E | A | -1.8134 | |
| 61 | S | A | -1.4000 | |
| 62 | L | A | -0.8917 | |
| 63 | Q | A | -1.7157 | |
| 64 | S | A | -1.2278 | |
| 65 | N | A | -1.6418 | |
| 66 | T | A | 0.0000 | |
| 67 | Y | A | -0.2870 | |
| 68 | N | A | 0.0000 | |
| 69 | G | A | 0.0000 | |
| 70 | F | A | -0.0323 | |
| 71 | S | A | -0.3467 | |
| 72 | T | A | 0.0000 | |
| 73 | P | A | 0.0000 | |
| 74 | W | A | 0.0000 | |
| 75 | G | A | 0.0000 | |
| 76 | Y | A | 0.0000 | |
| 77 | F | A | 0.0000 | |
| 78 | D | A | 0.0000 | |
| 79 | F | A | 0.0000 | |
| 80 | N | A | 0.0000 | |
| 81 | R | A | -0.6732 | |
| 82 | F | A | 0.0000 | |
| 83 | H | A | 0.0000 | |
| 84 | C | A | 0.0000 | |
| 85 | H | A | 0.0000 | |
| 86 | F | A | 0.0000 | |
| 87 | S | A | -0.9919 | |
| 88 | P | A | -1.2793 | |
| 89 | R | A | -2.4205 | |
| 90 | D | A | 0.0000 | |
| 91 | W | A | 0.0000 | |
| 92 | Q | A | -2.0568 | |
| 93 | R | A | -2.4145 | |
| 94 | L | A | 0.0000 | |
| 95 | I | A | 0.0000 | |
| 96 | N | A | -1.0699 | |
| 97 | N | A | -1.8894 | |
| 98 | N | A | 0.0000 | |
| 99 | W | A | -0.9179 | |
| 100 | G | A | 0.0000 | |
| 101 | M | A | 0.0000 | |
| 102 | R | A | -1.0172 | |
| 103 | P | A | 0.0000 | |
| 104 | K | A | -1.7345 | |
| 105 | A | A | -1.1013 | |
| 106 | M | A | 0.0000 | |
| 107 | R | A | -1.7842 | |
| 108 | V | A | 0.0000 | |
| 109 | K | A | -1.5935 | |
| 110 | I | A | 0.0000 | |
| 111 | F | A | 0.0000 | |
| 112 | N | A | -1.2359 | |
| 113 | I | A | 0.0000 | |
| 114 | Q | A | -1.0139 | |
| 115 | V | A | 0.0000 | |
| 116 | K | A | -0.5236 | |
| 117 | E | A | -0.1483 | |
| 118 | V | A | 0.4219 | |
| 119 | T | A | -0.0903 | |
| 120 | T | A | -0.9964 | |
| 121 | S | A | -1.6422 | |
| 122 | N | A | -2.1917 | |
| 123 | G | A | -2.0685 | |
| 124 | E | A | -2.5893 | |
| 125 | T | A | -1.0100 | |
| 126 | T | A | 0.0145 | |
| 127 | V | A | 0.9395 | |
| 128 | A | A | -0.0364 | |
| 129 | N | A | -1.1093 | |
| 130 | N | A | -0.6234 | |
| 131 | L | A | 0.3306 | |
| 132 | T | A | 0.0229 | |
| 133 | S | A | 0.0000 | |
| 134 | T | A | -0.4942 | |
| 135 | V | A | 0.0000 | |
| 136 | Q | A | -0.4470 | |
| 137 | I | A | 0.0000 | |
| 138 | F | A | 0.0000 | |
| 139 | A | A | -0.3459 | |
| 140 | D | A | 0.0000 | |
| 141 | S | A | -0.6199 | |
| 142 | S | A | -0.8916 | |
| 143 | Y | A | -1.0464 | |
| 144 | E | A | -1.6968 | |
| 145 | L | A | 0.0000 | |
| 146 | P | A | -0.0900 | |
| 147 | Y | A | -0.0337 | |
| 148 | V | A | 0.1347 | |
| 149 | M | A | 0.0000 | |
| 150 | D | A | -0.5722 | |
| 151 | A | A | -0.7506 | |
| 152 | G | A | -1.4311 | |
| 153 | Q | A | -2.3283 | |
| 154 | E | A | -2.5571 | |
| 155 | G | A | -1.1932 | |
| 156 | S | A | -0.8616 | |
| 157 | L | A | 0.0000 | |
| 158 | P | A | -0.3710 | |
| 159 | P | A | -0.4582 | |
| 160 | F | A | -0.5374 | |
| 161 | P | A | -0.7281 | |
| 162 | N | A | -1.5584 | |
| 163 | D | A | -1.4709 | |
| 164 | V | A | 1.0004 | |
| 165 | F | A | 0.9687 | |
| 166 | M | A | 1.3561 | |
| 167 | V | A | 0.0000 | |
| 168 | P | A | -0.4203 | |
| 169 | Q | A | -0.3882 | |
| 170 | Y | A | 0.0000 | |
| 171 | G | A | -0.1731 | |
| 172 | Y | A | 0.0000 | |
| 173 | C | A | 1.0933 | |
| 174 | G | A | 0.6431 | |
| 175 | L | A | 0.1276 | |
| 176 | V | A | 0.0000 | |
| 177 | T | A | -0.8705 | |
| 178 | G | A | -1.2829 | |
| 179 | N | A | -1.4731 | |
| 180 | T | A | -1.2069 | |
| 181 | S | A | -1.1523 | |
| 182 | Q | A | -1.4636 | |
| 183 | Q | A | -1.6630 | |
| 184 | Q | A | -1.6441 | |
| 185 | T | A | -1.9320 | |
| 186 | D | A | -2.7470 | |
| 187 | R | A | -2.5643 | |
| 188 | N | A | -1.2436 | |
| 189 | A | A | 0.2744 | |
| 190 | F | A | 1.6959 | |
| 191 | Y | A | 1.2660 | |
| 192 | C | A | 0.9927 | |
| 193 | L | A | 0.0000 | |
| 194 | E | A | -0.1859 | |
| 195 | Y | A | 1.0433 | |
| 196 | F | A | 0.1984 | |
| 197 | P | A | -0.2040 | |
| 198 | S | A | -0.4863 | |
| 199 | Q | A | -0.9703 | |
| 200 | M | A | -0.1810 | |
| 201 | L | A | 0.0000 | |
| 202 | R | A | -1.5350 | |
| 203 | T | A | -1.2197 | |
| 204 | G | A | -1.1550 | |
| 205 | N | A | -1.7033 | |
| 206 | N | A | -1.8918 | |
| 207 | F | A | 0.0000 | |
| 208 | E | A | -2.2564 | |
| 209 | I | A | -1.0971 | |
| 210 | T | A | -0.9010 | |
| 211 | Y | A | -0.4882 | |
| 212 | S | A | -1.0981 | |
| 213 | F | A | 0.0000 | |
| 214 | E | A | -2.0673 | |
| 215 | K | A | -2.2288 | |
| 216 | V | A | 0.0000 | |
| 217 | P | A | -0.5255 | |
| 218 | F | A | -0.1102 | |
| 219 | H | A | -0.0964 | |
| 220 | S | A | -0.1333 | |
| 221 | M | A | 0.0000 | |
| 222 | Y | A | -0.1834 | |
| 223 | A | A | -0.5776 | |
| 224 | H | A | -0.7478 | |
| 225 | S | A | -1.0054 | |
| 226 | Q | A | -1.1736 | |
| 227 | S | A | -0.9050 | |
| 228 | L | A | 0.0000 | |
| 229 | D | A | -1.7393 | |
| 230 | R | A | -1.3021 | |
| 231 | L | A | -0.4651 | |
| 232 | M | A | -0.3512 | |
| 233 | N | A | -0.2417 | |
| 234 | P | A | 0.1354 | |
| 235 | L | A | 1.4716 | |
| 236 | I | A | 1.3931 | |
| 237 | D | A | -0.0990 | |
| 238 | Q | A | -0.0827 | |
| 239 | Y | A | 1.2854 | |
| 240 | L | A | 0.6244 | |
| 241 | W | A | 1.0203 | |
| 242 | G | A | 0.4762 | |
| 243 | L | A | 0.8070 | |
| 244 | Q | A | -0.5375 | |
| 245 | S | A | -0.3248 | |
| 246 | T | A | -0.2101 | |
| 247 | T | A | -0.5857 | |
| 248 | T | A | -0.4198 | |
| 249 | G | A | -0.4809 | |
| 250 | T | A | -0.2061 | |
| 251 | T | A | 0.1091 | |
| 252 | L | A | 0.9179 | |
| 253 | N | A | -0.5856 | |
| 254 | A | A | -0.4643 | |
| 255 | G | A | -0.6884 | |
| 256 | T | A | -0.5292 | |
| 257 | A | A | -0.5319 | |
| 258 | T | A | -0.0892 | |
| 259 | T | A | 0.0424 | |
| 260 | N | A | 0.1794 | |
| 261 | F | A | 1.6513 | |
| 262 | T | A | 0.3727 | |
| 263 | K | A | -0.2731 | |
| 264 | L | A | 0.0000 | |
| 265 | R | A | -1.6582 | |
| 266 | P | A | -0.7211 | |
| 267 | T | A | -0.8110 | |
| 268 | N | A | -1.4055 | |
| 269 | F | A | -1.4472 | |
| 270 | S | A | -1.3853 | |
| 271 | N | A | -2.1770 | |
| 272 | F | A | 0.0000 | |
| 273 | K | A | -2.5865 | |
| 274 | K | A | -2.4641 | |
| 275 | N | A | -1.7490 | |
| 276 | W | A | -0.2533 | |
| 277 | L | A | 0.4732 | |
| 278 | P | A | 0.5102 | |
| 279 | G | A | 0.0000 | |
| 280 | P | A | 0.4337 | |
| 281 | S | A | 0.0000 | |
| 282 | I | A | 0.4826 | |
| 283 | K | A | -0.5159 | |
| 284 | Q | A | 0.0000 | |
| 285 | Q | A | -0.8553 | |
| 286 | G | A | -0.9272 | |
| 287 | F | A | -0.4882 | |
| 288 | S | A | -1.2306 | |
| 289 | K | A | -1.0192 | |
| 290 | T | A | -0.9712 | |
| 291 | A | A | -1.0139 | |
| 292 | N | A | -2.0672 | |
| 293 | Q | A | -2.1535 | |
| 294 | N | A | -1.3210 | |
| 295 | Y | A | -0.1517 | |
| 296 | K | A | -1.2943 | |
| 297 | I | A | -0.2668 | |
| 298 | P | A | -0.3083 | |
| 299 | A | A | -0.1232 | |
| 300 | T | A | -0.4040 | |
| 301 | G | A | -0.9132 | |
| 302 | S | A | -0.9709 | |
| 303 | D | A | -1.1490 | |
| 304 | S | A | -0.4175 | |
| 305 | L | A | 0.2264 | |
| 306 | I | A | 0.3574 | |
| 307 | K | A | -0.5035 | |
| 308 | Y | A | 0.0347 | |
| 309 | E | A | -0.2646 | |
| 310 | T | A | -0.1664 | |
| 311 | H | A | -0.1265 | |
| 312 | S | A | 0.0107 | |
| 313 | T | A | -0.1483 | |
| 314 | L | A | -0.1765 | |
| 315 | D | A | -1.6533 | |
| 316 | G | A | -1.2848 | |
| 317 | R | A | -1.0994 | |
| 318 | W | A | -0.3302 | |
| 319 | S | A | -0.0824 | |
| 320 | A | A | 0.0555 | |
| 321 | L | A | 0.1225 | |
| 322 | T | A | 0.1034 | |
| 323 | P | A | 0.0000 | |
| 324 | G | A | 0.0000 | |
| 325 | P | A | 0.3078 | |
| 326 | P | A | 0.1932 | |
| 327 | M | A | 0.0000 | |
| 328 | A | A | 0.0000 | |
| 329 | T | A | 0.0000 | |
| 330 | A | A | -1.2329 | |
| 331 | G | A | -1.3436 | |
| 332 | P | A | -0.8804 | |
| 333 | A | A | -0.9758 | |
| 334 | D | A | -1.8916 | |
| 335 | S | A | -1.5781 | |
| 336 | K | A | -1.6909 | |
| 337 | F | A | -0.7149 | |
| 338 | S | A | 0.0000 | |
| 339 | N | A | -0.1443 | |
| 340 | S | A | 0.0000 | |
| 341 | Q | A | 0.0000 | |
| 342 | L | A | 0.0000 | |
| 343 | I | A | 1.4048 | |
| 344 | F | A | 0.8828 | |
| 345 | A | A | -0.3217 | |
| 346 | G | A | -0.7071 | |
| 347 | P | A | -1.3590 | |
| 348 | K | A | -2.0075 | |
| 349 | Q | A | -1.6854 | |
| 350 | N | A | -2.3276 | |
| 351 | G | A | -1.7538 | |
| 352 | N | A | -1.8322 | |
| 353 | T | A | -0.8663 | |
| 354 | A | A | -0.0999 | |
| 355 | T | A | 0.6960 | |
| 356 | V | A | 1.3700 | |
| 357 | P | A | 0.6757 | |
| 358 | G | A | -0.0994 | |
| 359 | T | A | -0.3524 | |
| 360 | L | A | 0.5162 | |
| 361 | I | A | 0.4554 | |
| 362 | F | A | 0.0000 | |
| 363 | T | A | 0.0000 | |
| 364 | S | A | -0.6965 | |
| 365 | E | A | 0.0000 | |
| 366 | E | A | -2.0167 | |
| 367 | E | A | -1.2478 | |
| 368 | L | A | 0.0000 | |
| 369 | A | A | -0.6172 | |
| 370 | A | A | -0.7031 | |
| 371 | T | A | 0.0000 | |
| 372 | N | A | 0.0000 | |
| 373 | A | A | -0.1859 | |
| 374 | T | A | -0.7683 | |
| 375 | D | A | 0.0000 | |
| 376 | T | A | -1.1248 | |
| 377 | D | A | -1.9558 | |
| 378 | M | A | -1.1839 | |
| 379 | W | A | -0.5123 | |
| 380 | G | A | -1.1306 | |
| 381 | N | A | -1.7845 | |
| 382 | L | A | -0.7413 | |
| 383 | P | A | -1.1730 | |
| 384 | G | A | -1.5394 | |
| 385 | G | A | -1.7447 | |
| 386 | D | A | -2.8024 | |
| 387 | Q | A | -2.6935 | |
| 388 | S | A | -2.1008 | |
| 389 | N | A | -1.9570 | |
| 390 | S | A | -1.5074 | |
| 391 | N | A | -1.9084 | |
| 392 | L | A | -0.1938 | |
| 393 | P | A | -0.6077 | |
| 394 | T | A | -0.3442 | |
| 395 | V | A | -0.0603 | |
| 396 | D | A | -2.2590 | |
| 397 | R | A | -2.7614 | |
| 398 | L | A | -1.2331 | |
| 399 | T | A | -0.9170 | |
| 400 | A | A | -0.0052 | |
| 401 | L | A | 0.4070 | |
| 402 | G | A | 0.0097 | |
| 403 | A | A | 0.5035 | |
| 404 | V | A | 0.6429 | |
| 405 | P | A | 0.2354 | |
| 406 | G | A | -0.0587 | |
| 407 | M | A | 0.6006 | |
| 408 | V | A | 0.9186 | |
| 409 | W | A | 0.4839 | |
| 410 | Q | A | -0.1177 | |
| 411 | N | A | -0.2598 | |
| 412 | R | A | 0.0000 | |
| 413 | D | A | 0.0000 | |
| 414 | I | A | 0.0000 | |
| 415 | Y | A | 0.0000 | |
| 416 | Y | A | 0.0000 | |
| 417 | Q | A | 0.0000 | |
| 418 | G | A | 0.0000 | |
| 419 | P | A | -0.4515 | |
| 420 | I | A | 0.0000 | |
| 421 | W | A | 0.0000 | |
| 422 | A | A | -0.4601 | |
| 423 | K | A | -1.1429 | |
| 424 | I | A | 0.0000 | |
| 425 | P | A | -1.4420 | |
| 426 | H | A | -1.9276 | |
| 427 | T | A | -1.7680 | |
| 428 | D | A | -2.4207 | |
| 429 | G | A | -1.4469 | |
| 430 | H | A | -0.6697 | |
| 431 | F | A | 1.2041 | |
| 432 | H | A | 0.0888 | |
| 433 | P | A | -0.1999 | |
| 434 | S | A | 0.0312 | |
| 435 | P | A | 0.2642 | |
| 436 | L | A | 0.9958 | |
| 437 | I | A | 0.8538 | |
| 438 | G | A | 0.0000 | |
| 439 | G | A | 0.0442 | |
| 440 | F | A | 0.0000 | |
| 441 | G | A | -0.7178 | |
| 442 | L | A | 0.0000 | |
| 443 | K | A | -2.1028 | |
| 444 | H | A | -1.8120 | |
| 445 | P | A | 0.0000 | |
| 446 | P | A | 0.0000 | |
| 447 | P | A | 0.0000 | |
| 448 | Q | A | 0.0000 | |
| 449 | I | A | 0.0000 | |
| 450 | F | A | 0.0000 | |
| 451 | I | A | 0.0000 | |
| 452 | K | A | 0.0000 | |
| 453 | N | A | 0.0000 | |
| 454 | T | A | 0.1700 | |
| 455 | P | A | -0.0886 | |
| 456 | V | A | 0.3926 | |
| 457 | P | A | 0.0307 | |
| 458 | A | A | -0.3440 | |
| 459 | N | A | -1.2729 | |
| 460 | P | A | -0.5504 | |
| 461 | A | A | 0.1104 | |
| 462 | T | A | 0.1266 | |
| 463 | T | A | 0.7640 | |
| 464 | F | A | 1.7106 | |
| 465 | S | A | 0.7140 | |
| 466 | S | A | 0.2195 | |
| 467 | T | A | 0.0754 | |
| 468 | P | A | -0.0128 | |
| 469 | V | A | 0.6115 | |
| 470 | N | A | -0.7331 | |
| 471 | S | A | -0.5310 | |
| 472 | F | A | 0.0979 | |
| 473 | I | A | 0.5494 | |
| 474 | T | A | 0.1292 | |
| 475 | Q | A | 0.0000 | |
| 476 | Y | A | 0.3291 | |
| 477 | S | A | 0.0000 | |
| 478 | T | A | 0.1510 | |
| 479 | G | A | 0.0000 | |
| 480 | Q | A | -0.3589 | |
| 481 | V | A | 0.0000 | |
| 482 | S | A | -0.8459 | |
| 483 | V | A | 0.0000 | |
| 484 | Q | A | -0.9511 | |
| 485 | I | A | 0.0000 | |
| 486 | D | A | -1.1268 | |
| 487 | W | A | 0.0000 | |
| 488 | E | A | -1.3373 | |
| 489 | I | A | 0.0000 | |
| 490 | Q | A | -2.0452 | |
| 491 | K | A | -2.6265 | |
| 492 | E | A | -2.4232 | |
| 493 | R | A | -3.0100 | |
| 494 | S | A | -2.2684 | |
| 495 | K | A | -2.3311 | |
| 496 | R | A | -1.6920 | |
| 497 | W | A | -0.0641 | |
| 498 | N | A | -0.5537 | |
| 499 | P | A | -0.2866 | |
| 500 | E | A | 0.1370 | |
| 501 | V | A | 1.2260 | |
| 502 | Q | A | 0.0332 | |
| 503 | F | A | 0.0000 | |
| 504 | T | A | -0.6613 | |
| 505 | S | A | -0.8486 | |
| 506 | N | A | -1.4849 | |
| 507 | Y | A | -0.7228 | |
| 508 | G | A | -1.3349 | |
| 509 | Q | A | -1.9574 | |
| 510 | Q | A | -1.6035 | |
| 511 | N | A | -1.6658 | |
| 512 | S | A | -0.5042 | |
| 513 | L | A | 0.8360 | |
| 514 | L | A | 0.6316 | |
| 515 | W | A | 0.2495 | |
| 516 | A | A | 0.1390 | |
| 517 | P | A | -0.7662 | |
| 518 | D | A | -1.1635 | |
| 519 | A | A | -0.5771 | |
| 520 | A | A | -0.8806 | |
| 521 | G | A | -1.4702 | |
| 522 | K | A | -2.2174 | |
| 523 | Y | A | -1.2182 | |
| 524 | T | A | -0.8281 | |
| 525 | E | A | -0.2910 | |
| 526 | P | A | -0.5388 | |
| 527 | R | A | -0.6444 | |
| 528 | A | A | 0.0000 | |
| 529 | I | A | 0.0000 | |
| 530 | G | A | -0.1285 | |
| 531 | T | A | 0.0000 | |
| 532 | R | A | 0.0201 | |
| 533 | Y | A | 0.3305 | |
| 534 | L | A | 0.0000 | |
| 535 | T | A | -0.3651 | |
| 536 | H | A | -1.3329 | |
| 537 | H | A | -1.1062 | |
| 538 | L | A | -0.0898 |
Calculations for various pH values
This page contains details and comparisons for all models calculated at different pH points.
pH |
Average A3D Score |
Max A3D Score |
|||
| 4.0 | -0.1199 | 4.5544 | View | CSV | PDB |
| 4.5 | -0.1563 | 4.5548 | View | CSV | PDB |
| 5.0 | -0.1994 | 4.5563 | View | CSV | PDB |
| 5.5 | -0.2411 | 4.5606 | View | CSV | PDB |
| 6.0 | -0.2734 | 4.5721 | View | CSV | PDB |
| 6.5 | -0.2906 | 4.5966 | View | CSV | PDB |
| 7.0 | -0.2939 | 4.6354 | View | CSV | PDB |
| 7.5 | -0.2891 | 4.6832 | View | CSV | PDB |
| 8.0 | -0.2803 | 4.735 | View | CSV | PDB |
| 8.5 | -0.2673 | 4.7881 | View | CSV | PDB |
| 9.0 | -0.2483 | 4.8414 | 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