| Chain sequence(s) |
A: SPVAGQKYDYILVGGGTAACVLANRLSADGSKRVLVLEAGPDNTSRDVKIPAAITRLFRSPLDWNLFSELQEQLAERQIYMARGRLLGGSSATNATLYHRGAAGDYDAWGVEGWSSEDVLSWFVQAETNADFGPGAYHGSSGGPMRVENPRYTNKQLHTAFFKAAEEVGLTPNSDFNDWSHDHAGYGTFQVMQDKGTTRADMYRQYLKPVLGRRNLQVLTGAAVTKVNIDQAAQALGVEFSTDGPTGERLSSAELAPGGEVIIMCAGAVHTPFLLKHSGVGPSAELKEFGIPVVSNLAGVGQNLQDQPACLTAAPVKEKYDGIAISDHIYNEKGQIRKRAIASYLLGGRGGLTSTGCDRGAFVRTAGQALPDLQVRFVPGMALDPDGVSTYVRFAKFQSQQGLKWPSGITMQLIACRPQSTGSVGLKSADPFAPPKLSPGYLTDKDGADLATLRKGIHWARDVARSSALSEYLDGELFPGSSGVVSDDQIDEYIRRRSIHSSNAITGTCKMGNAGDSSSSVVDNQLRVHGVEGLRVVDASVVPKIPGGQTGAPVVMIAERAAALLTGKATIG
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. (00:00:03)
[INFO] FoldX: Starting FoldX energy minimization (00:00:03)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:08:50)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/988b28a83ccc32e/tmp/folded.pdb (00:08:50)
[INFO] Main: Simulation completed successfully. (00:12:56)
|
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 | S | A | -0.4035 | |
| 2 | P | A | -0.3853 | |
| 3 | V | A | 0.0000 | |
| 4 | A | A | -0.8678 | |
| 5 | G | A | -1.2998 | |
| 6 | Q | A | -2.0158 | |
| 7 | K | A | -2.3521 | |
| 8 | Y | A | 0.0000 | |
| 9 | D | A | -1.4737 | |
| 10 | Y | A | 0.0000 | |
| 11 | I | A | 0.0000 | |
| 12 | L | A | 0.0000 | |
| 13 | V | A | 0.0000 | |
| 14 | G | A | -0.0980 | |
| 15 | G | A | 0.0000 | |
| 16 | G | A | -0.1783 | |
| 17 | T | A | -0.0936 | |
| 18 | A | A | 0.0000 | |
| 19 | A | A | 0.0000 | |
| 20 | C | A | 0.0000 | |
| 21 | V | A | 0.0000 | |
| 22 | L | A | 0.0000 | |
| 23 | A | A | 0.0000 | |
| 24 | N | A | -0.5150 | |
| 25 | R | A | -0.7572 | |
| 26 | L | A | 0.0000 | |
| 27 | S | A | 0.0000 | |
| 28 | A | A | -1.2186 | |
| 29 | D | A | -2.0849 | |
| 30 | G | A | -1.9101 | |
| 31 | S | A | -1.3296 | |
| 32 | K | A | -1.5519 | |
| 33 | R | A | -2.2303 | |
| 34 | V | A | 0.0000 | |
| 35 | L | A | 0.0000 | |
| 36 | V | A | 0.0000 | |
| 37 | L | A | 0.0000 | |
| 38 | E | A | 0.0000 | |
| 39 | A | A | -0.3009 | |
| 40 | G | A | 0.0000 | |
| 41 | P | A | -0.7490 | |
| 42 | D | A | -1.0946 | |
| 43 | N | A | 0.0000 | |
| 44 | T | A | -0.9746 | |
| 45 | S | A | -1.3435 | |
| 46 | R | A | -2.2465 | |
| 47 | D | A | -1.6893 | |
| 48 | V | A | 0.0000 | |
| 49 | K | A | -1.3672 | |
| 50 | I | A | -0.6339 | |
| 51 | P | A | 0.0000 | |
| 52 | A | A | -0.1772 | |
| 53 | A | A | 0.0000 | |
| 54 | I | A | 0.0000 | |
| 55 | T | A | -0.8865 | |
| 56 | R | A | -1.6705 | |
| 57 | L | A | 0.0000 | |
| 58 | F | A | -0.7524 | |
| 59 | R | A | -1.5375 | |
| 60 | S | A | -0.9868 | |
| 61 | P | A | -0.5347 | |
| 62 | L | A | -0.5043 | |
| 63 | D | A | 0.0000 | |
| 64 | W | A | -0.1891 | |
| 65 | N | A | -0.5942 | |
| 66 | L | A | 0.0000 | |
| 67 | F | A | 0.4508 | |
| 68 | S | A | 0.0000 | |
| 69 | E | A | -1.0999 | |
| 70 | L | A | -0.9618 | |
| 71 | Q | A | 0.0000 | |
| 72 | E | A | -2.8833 | |
| 73 | Q | A | -1.7717 | |
| 74 | L | A | 0.0000 | |
| 75 | A | A | -2.6361 | |
| 76 | E | A | -3.2405 | |
| 77 | R | A | -2.3298 | |
| 78 | Q | A | -1.5258 | |
| 79 | I | A | 0.0000 | |
| 80 | Y | A | -0.1490 | |
| 81 | M | A | 0.0000 | |
| 82 | A | A | 0.0000 | |
| 83 | R | A | -0.5449 | |
| 84 | G | A | -0.3525 | |
| 85 | R | A | -0.6049 | |
| 86 | L | A | 0.0000 | |
| 87 | L | A | 0.0000 | |
| 88 | G | A | 0.0000 | |
| 89 | G | A | 0.0000 | |
| 90 | S | A | -0.3825 | |
| 91 | S | A | 0.0000 | |
| 92 | A | A | 0.0000 | |
| 93 | T | A | -0.4627 | |
| 94 | N | A | -0.4203 | |
| 95 | A | A | -0.2239 | |
| 96 | T | A | 0.0000 | |
| 97 | L | A | 0.0000 | |
| 98 | Y | A | 0.0000 | |
| 99 | H | A | 0.0000 | |
| 100 | R | A | 0.0000 | |
| 101 | G | A | 0.0000 | |
| 102 | A | A | 0.0000 | |
| 103 | A | A | -0.9162 | |
| 104 | G | A | -0.6024 | |
| 105 | D | A | 0.0000 | |
| 106 | Y | A | 0.0000 | |
| 107 | D | A | -2.1484 | |
| 108 | A | A | -1.1147 | |
| 109 | W | A | 0.0000 | |
| 110 | G | A | -1.5541 | |
| 111 | V | A | 0.0000 | |
| 112 | E | A | -2.5187 | |
| 113 | G | A | 0.0000 | |
| 114 | W | A | 0.0000 | |
| 115 | S | A | -1.9066 | |
| 116 | S | A | -1.5696 | |
| 117 | E | A | -2.3716 | |
| 118 | D | A | -2.0035 | |
| 119 | V | A | 0.0000 | |
| 120 | L | A | -0.6002 | |
| 121 | S | A | -0.6600 | |
| 122 | W | A | -0.2640 | |
| 123 | F | A | 0.0000 | |
| 124 | V | A | -0.3995 | |
| 125 | Q | A | -1.1700 | |
| 126 | A | A | 0.0000 | |
| 127 | E | A | 0.0000 | |
| 128 | T | A | -0.8615 | |
| 129 | N | A | 0.0000 | |
| 130 | A | A | -1.2430 | |
| 131 | D | A | -1.7143 | |
| 132 | F | A | -0.6919 | |
| 133 | G | A | -0.8309 | |
| 134 | P | A | -0.6167 | |
| 135 | G | A | -0.5593 | |
| 136 | A | A | -0.2029 | |
| 137 | Y | A | -0.0110 | |
| 138 | H | A | 0.0000 | |
| 139 | G | A | -0.6548 | |
| 140 | S | A | -0.8601 | |
| 141 | G | A | -0.9054 | |
| 142 | G | A | 0.0000 | |
| 143 | P | A | -0.6164 | |
| 144 | M | A | 0.0000 | |
| 145 | R | A | -1.0553 | |
| 146 | V | A | 0.0000 | |
| 147 | E | A | 0.0000 | |
| 148 | N | A | -1.3334 | |
| 149 | P | A | 0.0000 | |
| 150 | R | A | -1.9086 | |
| 151 | Y | A | 0.0000 | |
| 152 | T | A | -1.0229 | |
| 153 | N | A | 0.0000 | |
| 154 | K | A | -1.9053 | |
| 155 | Q | A | -1.1994 | |
| 156 | L | A | 0.0000 | |
| 157 | H | A | 0.0000 | |
| 158 | T | A | -0.9629 | |
| 159 | A | A | 0.0000 | |
| 160 | F | A | 0.0000 | |
| 161 | F | A | -0.9446 | |
| 162 | K | A | -2.2570 | |
| 163 | A | A | 0.0000 | |
| 164 | A | A | 0.0000 | |
| 165 | E | A | -2.3138 | |
| 166 | E | A | -2.3019 | |
| 167 | V | A | -1.2908 | |
| 168 | G | A | -1.1257 | |
| 169 | L | A | -0.7398 | |
| 170 | T | A | -0.5541 | |
| 171 | P | A | -0.5073 | |
| 172 | N | A | 0.0000 | |
| 173 | S | A | -0.4845 | |
| 174 | D | A | -0.5865 | |
| 175 | F | A | 0.0000 | |
| 176 | N | A | 0.0000 | |
| 177 | D | A | -0.8110 | |
| 178 | W | A | -0.6464 | |
| 179 | S | A | -0.8570 | |
| 180 | H | A | -1.5739 | |
| 181 | D | A | -1.9750 | |
| 182 | H | A | 0.0000 | |
| 183 | A | A | -0.6168 | |
| 184 | G | A | 0.0000 | |
| 185 | Y | A | -0.2963 | |
| 186 | G | A | -0.0704 | |
| 187 | T | A | -0.1706 | |
| 188 | F | A | 0.0000 | |
| 189 | Q | A | 0.0000 | |
| 190 | V | A | 0.0000 | |
| 191 | M | A | 0.0000 | |
| 192 | Q | A | 0.0000 | |
| 193 | D | A | -1.3696 | |
| 194 | K | A | -2.4382 | |
| 195 | G | A | 0.0000 | |
| 196 | T | A | -0.8031 | |
| 197 | R | A | 0.0000 | |
| 198 | A | A | 0.0000 | |
| 199 | D | A | 0.0000 | |
| 200 | M | A | 0.0000 | |
| 201 | Y | A | 0.0000 | |
| 202 | R | A | -1.2070 | |
| 203 | Q | A | -0.9121 | |
| 204 | Y | A | 0.0000 | |
| 205 | L | A | 0.0000 | |
| 206 | K | A | -1.6155 | |
| 207 | P | A | -0.9974 | |
| 208 | V | A | -0.7012 | |
| 209 | L | A | -0.5293 | |
| 210 | G | A | -1.1252 | |
| 211 | R | A | -1.6652 | |
| 212 | R | A | -2.3909 | |
| 213 | N | A | 0.0000 | |
| 214 | L | A | 0.0000 | |
| 215 | Q | A | -0.7130 | |
| 216 | V | A | 0.2994 | |
| 217 | L | A | 0.0586 | |
| 218 | T | A | -0.2805 | |
| 219 | G | A | -0.8213 | |
| 220 | A | A | 0.0000 | |
| 221 | A | A | -0.4617 | |
| 222 | V | A | -0.1847 | |
| 223 | T | A | 0.0000 | |
| 224 | K | A | -0.8350 | |
| 225 | V | A | 0.0000 | |
| 226 | N | A | -1.4123 | |
| 227 | I | A | -1.5281 | |
| 228 | D | A | -2.3781 | |
| 229 | Q | A | -2.0305 | |
| 230 | A | A | -1.0287 | |
| 234 | A | A | -1.7323 | |
| 235 | Q | A | -2.1403 | |
| 236 | A | A | 0.0000 | |
| 237 | L | A | -1.0314 | |
| 238 | G | A | 0.0000 | |
| 239 | V | A | 0.0000 | |
| 240 | E | A | -1.2544 | |
| 241 | F | A | 0.0000 | |
| 242 | S | A | 0.0000 | |
| 243 | T | A | -1.5353 | |
| 244 | D | A | -2.5482 | |
| 245 | G | A | -1.5552 | |
| 246 | P | A | -1.2554 | |
| 247 | T | A | -1.2178 | |
| 248 | G | A | 0.0000 | |
| 249 | E | A | -2.7780 | |
| 250 | R | A | -2.2198 | |
| 251 | L | A | -1.1497 | |
| 252 | S | A | -1.1721 | |
| 253 | A | A | 0.0000 | |
| 254 | E | A | -2.3055 | |
| 255 | L | A | 0.0000 | |
| 256 | A | A | 0.0000 | |
| 257 | P | A | -0.8583 | |
| 258 | G | A | -0.9080 | |
| 259 | G | A | 0.0000 | |
| 260 | E | A | -1.0698 | |
| 261 | V | A | 0.0000 | |
| 262 | I | A | 0.0000 | |
| 263 | M | A | 0.0000 | |
| 264 | C | A | 0.0000 | |
| 265 | A | A | -0.0898 | |
| 266 | G | A | -0.1871 | |
| 267 | A | A | 0.0000 | |
| 268 | V | A | 0.0000 | |
| 269 | H | A | -0.1765 | |
| 270 | T | A | 0.0000 | |
| 271 | P | A | 0.0000 | |
| 272 | F | A | 0.0000 | |
| 273 | L | A | 0.0000 | |
| 274 | L | A | 0.0000 | |
| 275 | K | A | 0.0000 | |
| 276 | H | A | -0.3933 | |
| 277 | S | A | 0.0000 | |
| 278 | G | A | 0.0000 | |
| 279 | V | A | 0.0000 | |
| 280 | G | A | 0.0000 | |
| 281 | P | A | -0.6378 | |
| 282 | S | A | -1.1102 | |
| 283 | A | A | -1.1487 | |
| 284 | E | A | -1.4990 | |
| 285 | L | A | 0.0000 | |
| 286 | K | A | -2.6277 | |
| 287 | E | A | -2.8395 | |
| 288 | F | A | -1.7072 | |
| 289 | G | A | -1.4239 | |
| 290 | I | A | -0.7676 | |
| 291 | P | A | -0.2851 | |
| 292 | V | A | -0.1563 | |
| 293 | V | A | -0.3909 | |
| 294 | S | A | 0.0000 | |
| 295 | N | A | -1.1098 | |
| 296 | L | A | -0.5302 | |
| 297 | A | A | -0.4871 | |
| 298 | G | A | 0.0000 | |
| 299 | V | A | 0.0000 | |
| 300 | G | A | 0.0000 | |
| 301 | Q | A | -1.3342 | |
| 302 | N | A | -1.1539 | |
| 303 | L | A | 0.0000 | |
| 304 | Q | A | 0.0000 | |
| 305 | D | A | 0.0000 | |
| 306 | Q | A | 0.0000 | |
| 307 | P | A | 0.0000 | |
| 308 | A | A | 0.0000 | |
| 309 | C | A | 0.0000 | |
| 310 | L | A | 0.0000 | |
| 311 | T | A | 0.0000 | |
| 312 | A | A | 0.0000 | |
| 313 | A | A | 0.0000 | |
| 314 | P | A | -1.2334 | |
| 315 | V | A | 0.0000 | |
| 316 | K | A | -3.0957 | |
| 317 | E | A | -3.6929 | |
| 318 | K | A | -3.1307 | |
| 319 | Y | A | -2.5415 | |
| 320 | D | A | -2.9511 | |
| 321 | G | A | -1.7688 | |
| 322 | I | A | -0.8313 | |
| 323 | A | A | 0.0000 | |
| 324 | I | A | 0.0000 | |
| 325 | S | A | 0.0000 | |
| 326 | D | A | 0.0000 | |
| 327 | H | A | -0.8217 | |
| 328 | I | A | -0.6222 | |
| 329 | Y | A | 0.0000 | |
| 330 | N | A | -2.3346 | |
| 331 | E | A | -3.0495 | |
| 332 | K | A | -2.9849 | |
| 333 | G | A | 0.0000 | |
| 334 | Q | A | -2.4147 | |
| 335 | I | A | -1.4301 | |
| 336 | R | A | -2.1219 | |
| 337 | K | A | -2.6701 | |
| 338 | R | A | -2.5826 | |
| 339 | A | A | 0.0000 | |
| 340 | I | A | -0.0830 | |
| 341 | A | A | -0.1443 | |
| 342 | S | A | -0.2208 | |
| 343 | Y | A | 0.1153 | |
| 344 | L | A | 2.1773 | |
| 345 | L | A | 2.0706 | |
| 346 | G | A | 0.1467 | |
| 347 | G | A | -0.7628 | |
| 348 | R | A | -1.8765 | |
| 349 | G | A | -1.2262 | |
| 350 | G | A | 0.0000 | |
| 351 | L | A | 0.0000 | |
| 352 | T | A | 0.0000 | |
| 353 | S | A | 0.0000 | |
| 354 | T | A | 0.0000 | |
| 355 | G | A | 0.0000 | |
| 356 | C | A | 0.0000 | |
| 357 | D | A | 0.0000 | |
| 358 | R | A | 0.0000 | |
| 359 | G | A | 0.0000 | |
| 360 | A | A | 0.0000 | |
| 361 | F | A | 0.0000 | |
| 362 | V | A | 0.0000 | |
| 363 | R | A | -0.8056 | |
| 364 | T | A | -0.7652 | |
| 365 | A | A | -0.5967 | |
| 366 | G | A | -0.7352 | |
| 367 | Q | A | -0.6369 | |
| 368 | A | A | -0.1864 | |
| 369 | L | A | -0.2688 | |
| 370 | P | A | 0.0000 | |
| 371 | D | A | 0.0000 | |
| 372 | L | A | 0.0000 | |
| 373 | Q | A | 0.0000 | |
| 374 | V | A | 0.0000 | |
| 375 | R | A | 0.0000 | |
| 376 | F | A | 0.0000 | |
| 377 | V | A | 0.1936 | |
| 378 | P | A | 0.0000 | |
| 379 | G | A | 0.0000 | |
| 380 | M | A | 0.0000 | |
| 381 | A | A | 0.0000 | |
| 382 | L | A | 0.1945 | |
| 383 | D | A | -0.2496 | |
| 384 | P | A | -0.4290 | |
| 385 | D | A | -0.7064 | |
| 386 | G | A | -0.2374 | |
| 387 | V | A | -0.1423 | |
| 388 | S | A | -0.4032 | |
| 389 | T | A | 0.0000 | |
| 390 | Y | A | -0.3200 | |
| 391 | V | A | -1.0027 | |
| 392 | R | A | -1.5207 | |
| 393 | F | A | -0.7869 | |
| 394 | A | A | -1.3293 | |
| 395 | K | A | -2.3694 | |
| 396 | F | A | -1.5728 | |
| 397 | Q | A | -1.7496 | |
| 398 | S | A | -1.9313 | |
| 399 | Q | A | -2.0836 | |
| 400 | G | A | -1.6635 | |
| 401 | L | A | -0.5520 | |
| 402 | K | A | -1.5228 | |
| 403 | W | A | 0.0000 | |
| 404 | P | A | -0.7973 | |
| 405 | S | A | 0.0000 | |
| 406 | G | A | 0.0000 | |
| 407 | I | A | 0.0000 | |
| 408 | T | A | 0.0000 | |
| 409 | M | A | 0.0000 | |
| 410 | Q | A | 0.0000 | |
| 411 | L | A | 0.0000 | |
| 412 | I | A | 0.0000 | |
| 413 | A | A | 0.0000 | |
| 414 | C | A | 0.0000 | |
| 415 | R | A | -0.7444 | |
| 416 | P | A | -0.8732 | |
| 417 | Q | A | -1.8993 | |
| 418 | S | A | 0.0000 | |
| 419 | T | A | -0.6607 | |
| 420 | G | A | -0.4868 | |
| 421 | S | A | -0.7162 | |
| 422 | V | A | 0.0000 | |
| 423 | G | A | 0.0000 | |
| 424 | L | A | 0.0000 | |
| 425 | K | A | -2.3155 | |
| 426 | S | A | -1.4968 | |
| 427 | A | A | -1.0762 | |
| 428 | D | A | -1.4558 | |
| 429 | P | A | -0.8057 | |
| 430 | F | A | -0.1279 | |
| 431 | A | A | -0.7441 | |
| 432 | P | A | -0.6505 | |
| 433 | P | A | 0.0000 | |
| 434 | K | A | -1.2816 | |
| 435 | L | A | 0.0000 | |
| 436 | S | A | -0.4360 | |
| 437 | P | A | 0.0000 | |
| 438 | G | A | 0.0000 | |
| 439 | Y | A | 0.0000 | |
| 440 | L | A | -0.6138 | |
| 441 | T | A | -0.8721 | |
| 442 | D | A | 0.0000 | |
| 443 | K | A | -2.7594 | |
| 444 | D | A | -2.8007 | |
| 445 | G | A | -1.5938 | |
| 446 | A | A | -1.1530 | |
| 447 | D | A | 0.0000 | |
| 448 | L | A | -0.5292 | |
| 449 | A | A | -0.7746 | |
| 450 | T | A | 0.0000 | |
| 451 | L | A | 0.0000 | |
| 452 | R | A | -1.5859 | |
| 453 | K | A | -1.7095 | |
| 454 | G | A | 0.0000 | |
| 455 | I | A | 0.0000 | |
| 456 | H | A | -1.5646 | |
| 457 | W | A | -1.3133 | |
| 458 | A | A | 0.0000 | |
| 459 | R | A | -1.9222 | |
| 460 | D | A | -2.6465 | |
| 461 | V | A | 0.0000 | |
| 462 | A | A | -1.8257 | |
| 463 | R | A | -2.7344 | |
| 464 | S | A | 0.0000 | |
| 465 | S | A | -1.4741 | |
| 466 | A | A | -1.5731 | |
| 467 | L | A | 0.0000 | |
| 468 | S | A | -1.8222 | |
| 469 | E | A | -1.9655 | |
| 470 | Y | A | -1.8064 | |
| 471 | L | A | 0.0000 | |
| 472 | D | A | -2.6989 | |
| 473 | G | A | -1.7588 | |
| 474 | E | A | -0.9438 | |
| 475 | L | A | 0.1300 | |
| 476 | F | A | 0.2411 | |
| 477 | P | A | 0.1916 | |
| 478 | G | A | 0.1082 | |
| 479 | S | A | -0.0463 | |
| 480 | G | A | -0.1756 | |
| 481 | V | A | -0.3211 | |
| 482 | V | A | 0.6467 | |
| 483 | S | A | -1.1725 | |
| 484 | D | A | -3.0628 | |
| 485 | D | A | -3.3191 | |
| 486 | Q | A | -2.4038 | |
| 487 | I | A | 0.0000 | |
| 488 | D | A | -2.7911 | |
| 489 | E | A | -3.6640 | |
| 490 | Y | A | 0.0000 | |
| 491 | I | A | 0.0000 | |
| 492 | R | A | -2.9786 | |
| 493 | R | A | -3.1921 | |
| 494 | S | A | 0.0000 | |
| 495 | I | A | 0.0000 | |
| 496 | H | A | 0.0000 | |
| 497 | S | A | 0.0000 | |
| 498 | S | A | 0.0000 | |
| 499 | N | A | -0.5397 | |
| 500 | A | A | 0.0000 | |
| 501 | I | A | 0.0000 | |
| 502 | T | A | 0.0000 | |
| 503 | G | A | 0.0000 | |
| 504 | T | A | 0.0000 | |
| 505 | C | A | 0.0000 | |
| 506 | K | A | -0.7991 | |
| 507 | M | A | 0.0000 | |
| 508 | G | A | 0.0000 | |
| 509 | N | A | -1.5740 | |
| 510 | A | A | -0.9966 | |
| 511 | G | A | -1.0091 | |
| 512 | D | A | -1.2056 | |
| 513 | S | A | -0.7778 | |
| 514 | S | A | -0.7529 | |
| 515 | S | A | 0.0000 | |
| 516 | V | A | 0.0000 | |
| 517 | V | A | 0.0000 | |
| 518 | D | A | -1.4575 | |
| 519 | N | A | -1.3176 | |
| 520 | Q | A | -0.8730 | |
| 521 | L | A | 0.0000 | |
| 522 | R | A | -2.1909 | |
| 523 | V | A | 0.0000 | |
| 524 | H | A | -1.4201 | |
| 525 | G | A | -1.4300 | |
| 526 | V | A | 0.0000 | |
| 527 | E | A | -2.4989 | |
| 528 | G | A | 0.0000 | |
| 529 | L | A | 0.0000 | |
| 530 | R | A | -1.2091 | |
| 531 | V | A | 0.0000 | |
| 532 | V | A | 0.0000 | |
| 533 | D | A | 0.0000 | |
| 534 | A | A | -0.0804 | |
| 535 | S | A | 0.0000 | |
| 536 | V | A | 0.0000 | |
| 537 | V | A | 0.0000 | |
| 538 | P | A | 0.0000 | |
| 539 | K | A | -1.7087 | |
| 540 | I | A | 0.0000 | |
| 541 | P | A | 0.0000 | |
| 542 | G | A | 0.0000 | |
| 543 | G | A | 0.0000 | |
| 544 | Q | A | -0.2749 | |
| 545 | T | A | -0.1913 | |
| 546 | G | A | -0.2009 | |
| 547 | A | A | 0.0000 | |
| 548 | P | A | 0.0000 | |
| 549 | V | A | 0.0000 | |
| 550 | V | A | 0.0000 | |
| 551 | M | A | 0.0000 | |
| 552 | I | A | 0.0000 | |
| 553 | A | A | 0.0000 | |
| 554 | E | A | 0.0000 | |
| 555 | R | A | 0.0000 | |
| 556 | A | A | 0.0000 | |
| 557 | A | A | 0.0000 | |
| 558 | A | A | 0.0000 | |
| 559 | L | A | -0.3733 | |
| 560 | L | A | -0.2580 | |
| 561 | T | A | -0.9166 | |
| 562 | G | A | -1.1735 | |
| 563 | K | A | -1.8411 | |
| 564 | A | A | -0.8747 | |
| 565 | T | A | -0.5475 | |
| 566 | I | A | 0.0000 | |
| 567 | G | A | -1.1331 |
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 | -0.526 | 2.4136 | View | CSV | PDB |
| 4.5 | -0.5738 | 2.4136 | View | CSV | PDB |
| 5.0 | -0.6314 | 2.4136 | View | CSV | PDB |
| 5.5 | -0.69 | 2.4136 | View | CSV | PDB |
| 6.0 | -0.7394 | 2.4136 | View | CSV | PDB |
| 6.5 | -0.7718 | 2.4136 | View | CSV | PDB |
| 7.0 | -0.7856 | 2.4136 | View | CSV | PDB |
| 7.5 | -0.7855 | 2.4136 | View | CSV | PDB |
| 8.0 | -0.7761 | 2.4136 | View | CSV | PDB |
| 8.5 | -0.7591 | 2.4135 | View | CSV | PDB |
| 9.0 | -0.7349 | 2.4133 | 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