| Chain sequence(s) |
A: SPVAGQKYDYILVGGGTAACVLANRLSADGSKRVLVLEAGPDNTSRDVKIPAAITRLFRSPLDWNLFSELQEQLAERQIYMARGRLLGGSSATNATLYHRGAAGDYDAWGVEGWSSEDVLSWFVQAETNADFGPGAYHGSGGPMRVENPRYTNKQLHTAFFKAAEEVGLTPNSDFNDWSHDHAGYGTFQVMQDKGTRADMYRQYLKPVLGRRNLQVLTGAAVTKVNIDQAAGKAQALGVEFSTDGPTGERLSAELAPGGEVIMCAGAVHTPFLLKHSGVGPSAELKEFGIPVVSNLAGVGGGGGSGGGGSGGGGSGLHDRFQVTLSAKGKSEISGTPVILRPTLDDVFGERAEEVVAEMRARLDDYAARLATLSGGEYSVADLRAELTQRFDLIVDQKLPVGEILVSPGGGNTVTVDFWPLYPFSLGGVRISSADPFAPPAIRPNFFLFDWDGRLTAGLFKFVRKLLQSKPLNELIEEITVPGYDVIPEDAPLEEIIEWIKENCRSAFHAVGTGGGGSGGGGSGGGGSGTCKMGNAGDSSSVVDNQLRVHGVEGLRVVDASVVPKIPGGHTGAPVVMIAERAAALLTGK
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. (00:00:05)
[INFO] FoldX: Starting FoldX energy minimization (00:00:05)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:10:16)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/29a7a939949ecac/tmp/folded.pdb (00:10:16)
[INFO] Main: Simulation completed successfully. (00:15:29)
|
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 | -0.6315 | |
| 2 | P | A | -0.3028 | |
| 3 | V | A | 0.0000 | |
| 4 | A | A | -0.7409 | |
| 5 | G | A | -1.1208 | |
| 6 | Q | A | -1.5279 | |
| 7 | K | A | -2.2863 | |
| 8 | Y | A | 0.0000 | |
| 9 | D | A | -1.6168 | |
| 10 | Y | A | 0.0000 | |
| 11 | I | A | 0.0000 | |
| 12 | L | A | 0.0000 | |
| 13 | V | A | 0.0000 | |
| 14 | G | A | -0.1296 | |
| 15 | G | A | 0.0000 | |
| 16 | G | A | -0.2193 | |
| 17 | T | A | -0.0883 | |
| 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 | -0.7358 | |
| 25 | R | A | -0.7958 | |
| 26 | L | A | 0.0000 | |
| 27 | S | A | 0.0000 | |
| 28 | A | A | -1.1872 | |
| 29 | D | A | -2.0753 | |
| 30 | G | A | -1.6585 | |
| 31 | S | A | -1.1614 | |
| 32 | K | A | -1.2493 | |
| 33 | R | A | -1.6609 | |
| 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 | -0.2927 | |
| 40 | G | A | 0.0000 | |
| 41 | P | A | -0.7593 | |
| 42 | D | A | -0.9968 | |
| 43 | N | A | 0.0000 | |
| 44 | T | A | -1.0233 | |
| 45 | S | A | -1.4044 | |
| 46 | R | A | -2.3273 | |
| 47 | D | A | -1.8221 | |
| 48 | V | A | 0.0000 | |
| 49 | K | A | -1.6196 | |
| 50 | I | A | -0.4845 | |
| 51 | P | A | -0.2375 | |
| 52 | A | A | -0.1440 | |
| 53 | A | A | -0.7686 | |
| 54 | I | A | -0.2849 | |
| 55 | T | A | -0.8641 | |
| 56 | R | A | -1.9824 | |
| 57 | L | A | 0.0000 | |
| 58 | F | A | -0.8643 | |
| 59 | R | A | -2.0770 | |
| 60 | S | A | -1.3555 | |
| 61 | P | A | -0.8649 | |
| 62 | L | A | -0.8636 | |
| 63 | D | A | 0.0000 | |
| 64 | W | A | -0.4745 | |
| 65 | N | A | -0.9791 | |
| 66 | L | A | 0.0000 | |
| 67 | F | A | 0.3973 | |
| 68 | S | A | 0.0000 | |
| 69 | E | A | -0.9079 | |
| 70 | L | A | -1.1702 | |
| 71 | Q | A | 0.0000 | |
| 72 | E | A | -2.9364 | |
| 73 | Q | A | -2.0280 | |
| 74 | L | A | 0.0000 | |
| 75 | A | A | -2.5867 | |
| 76 | E | A | -3.2174 | |
| 77 | R | A | -2.4500 | |
| 78 | Q | A | -1.7803 | |
| 79 | I | A | 0.0000 | |
| 80 | Y | A | -0.4096 | |
| 81 | M | A | 0.0000 | |
| 82 | A | A | 0.0000 | |
| 83 | R | A | -0.5930 | |
| 84 | G | A | -0.5053 | |
| 85 | R | A | -0.9314 | |
| 86 | L | A | 0.0000 | |
| 87 | L | A | 0.0000 | |
| 88 | G | A | 0.0000 | |
| 89 | G | A | 0.0000 | |
| 90 | S | A | -0.3582 | |
| 91 | S | A | 0.0000 | |
| 92 | A | A | 0.0000 | |
| 93 | T | A | -0.4984 | |
| 94 | N | A | -0.1918 | |
| 95 | A | A | -0.0365 | |
| 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 | -0.9956 | |
| 104 | G | A | -0.9063 | |
| 105 | D | A | 0.0000 | |
| 106 | Y | A | 0.0000 | |
| 107 | D | A | -2.3967 | |
| 108 | A | A | -1.1926 | |
| 109 | W | A | 0.0000 | |
| 110 | G | A | -1.6122 | |
| 111 | V | A | 0.0000 | |
| 112 | E | A | -2.5330 | |
| 113 | G | A | -1.7353 | |
| 114 | W | A | 0.0000 | |
| 115 | S | A | -2.0702 | |
| 116 | S | A | -1.6569 | |
| 117 | E | A | -2.4158 | |
| 118 | D | A | -2.0608 | |
| 119 | V | A | 0.0000 | |
| 120 | L | A | -0.5768 | |
| 121 | S | A | -0.6169 | |
| 122 | W | A | -0.3860 | |
| 123 | F | A | 0.0000 | |
| 124 | V | A | -0.2379 | |
| 125 | Q | A | -0.8965 | |
| 126 | A | A | 0.0000 | |
| 127 | E | A | 0.0000 | |
| 128 | T | A | -0.8959 | |
| 129 | N | A | 0.0000 | |
| 130 | A | A | -1.0729 | |
| 131 | D | A | -1.1425 | |
| 132 | F | A | -0.4314 | |
| 133 | G | A | -0.7317 | |
| 134 | P | A | -0.7388 | |
| 135 | G | A | -0.5151 | |
| 136 | A | A | -0.1763 | |
| 137 | Y | A | 0.0431 | |
| 138 | H | A | 0.0000 | |
| 139 | G | A | 0.0000 | |
| 140 | S | A | -0.8036 | |
| 141 | G | A | -0.8574 | |
| 142 | G | A | 0.0000 | |
| 143 | P | A | -0.6229 | |
| 144 | M | A | 0.0000 | |
| 145 | R | A | -1.4456 | |
| 146 | V | A | 0.0000 | |
| 147 | E | A | 0.0000 | |
| 148 | N | A | -1.2375 | |
| 149 | P | A | 0.0000 | |
| 150 | R | A | -1.6903 | |
| 151 | Y | A | -0.1210 | |
| 152 | T | A | -0.9420 | |
| 153 | N | A | -1.6564 | |
| 154 | K | A | -2.5474 | |
| 155 | Q | A | -2.1998 | |
| 156 | L | A | 0.0000 | |
| 157 | H | A | -1.2956 | |
| 158 | T | A | -1.2660 | |
| 159 | A | A | 0.0000 | |
| 160 | F | A | 0.0000 | |
| 161 | F | A | -1.1001 | |
| 162 | K | A | -2.6741 | |
| 163 | A | A | 0.0000 | |
| 164 | A | A | 0.0000 | |
| 165 | E | A | -3.3195 | |
| 166 | E | A | -3.5809 | |
| 167 | V | A | 0.0000 | |
| 168 | G | A | -1.9663 | |
| 169 | L | A | 0.0000 | |
| 170 | T | A | -1.1024 | |
| 171 | P | A | -0.5859 | |
| 172 | N | A | 0.0000 | |
| 173 | S | A | -0.3907 | |
| 174 | D | A | 0.0000 | |
| 175 | F | A | 0.0000 | |
| 176 | N | A | 0.0000 | |
| 177 | D | A | -0.6716 | |
| 178 | W | A | -0.5921 | |
| 179 | S | A | -0.8129 | |
| 180 | H | A | -1.5093 | |
| 181 | D | A | -2.3763 | |
| 182 | H | A | 0.0000 | |
| 183 | A | A | -0.8781 | |
| 184 | G | A | 0.0000 | |
| 185 | Y | A | 0.0000 | |
| 186 | G | A | 0.0000 | |
| 187 | T | A | -0.1286 | |
| 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 | -2.3822 | |
| 194 | K | A | -2.7152 | |
| 195 | G | A | -1.6529 | |
| 196 | T | A | -1.2043 | |
| 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 | -1.1096 | |
| 203 | Q | A | -0.9949 | |
| 204 | Y | A | 0.0000 | |
| 205 | L | A | 0.0000 | |
| 206 | K | A | -1.5450 | |
| 207 | P | A | -1.0148 | |
| 208 | V | A | 0.0000 | |
| 209 | L | A | -0.5332 | |
| 210 | G | A | -1.1327 | |
| 211 | R | A | -1.7286 | |
| 212 | R | A | -2.2445 | |
| 213 | N | A | 0.0000 | |
| 214 | L | A | 0.0000 | |
| 215 | Q | A | -0.4520 | |
| 216 | V | A | 0.3804 | |
| 217 | L | A | 0.1193 | |
| 218 | T | A | -0.2322 | |
| 219 | G | A | -0.7731 | |
| 220 | A | A | 0.0000 | |
| 221 | A | A | -0.4339 | |
| 222 | V | A | -0.1587 | |
| 223 | T | A | 0.0000 | |
| 224 | K | A | -0.5823 | |
| 225 | V | A | 0.0000 | |
| 226 | N | A | -0.5613 | |
| 227 | I | A | -0.7255 | |
| 228 | D | A | -1.5069 | |
| 229 | Q | A | -1.8370 | |
| 230 | A | A | -1.0347 | |
| 231 | A | A | -1.1321 | |
| 232 | G | A | -1.6486 | |
| 233 | K | A | -2.7668 | |
| 234 | A | A | 0.0000 | |
| 235 | Q | A | -1.9192 | |
| 236 | A | A | 0.0000 | |
| 237 | L | A | -0.2608 | |
| 238 | G | A | 0.0000 | |
| 239 | V | A | 0.0000 | |
| 240 | E | A | -1.0659 | |
| 241 | F | A | 0.0000 | |
| 242 | S | A | 0.0000 | |
| 243 | T | A | -1.4745 | |
| 244 | D | A | -2.4849 | |
| 245 | G | A | -1.4618 | |
| 246 | P | A | -1.2036 | |
| 247 | T | A | -1.1662 | |
| 248 | G | A | -2.0504 | |
| 249 | E | A | -2.7482 | |
| 250 | R | A | -2.1192 | |
| 251 | L | A | -1.1130 | |
| 252 | S | A | -1.0498 | |
| 253 | A | A | 0.0000 | |
| 254 | E | A | -2.0963 | |
| 255 | L | A | 0.0000 | |
| 256 | A | A | -1.3410 | |
| 257 | P | A | -0.8667 | |
| 258 | G | A | -0.8833 | |
| 259 | G | A | 0.0000 | |
| 260 | E | A | -1.0657 | |
| 261 | V | A | 0.0000 | |
| 262 | I | A | 0.0000 | |
| 263 | M | A | 0.0000 | |
| 264 | C | A | 0.0000 | |
| 265 | A | A | -0.1582 | |
| 266 | G | A | -0.1865 | |
| 267 | A | A | 0.0000 | |
| 268 | V | A | 0.0000 | |
| 269 | H | A | -0.2618 | |
| 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 | 0.0000 | |
| 277 | S | A | 0.0000 | |
| 278 | G | A | 0.0000 | |
| 279 | V | A | 0.0000 | |
| 280 | G | A | 0.0000 | |
| 281 | P | A | 0.0000 | |
| 282 | S | A | -0.9215 | |
| 283 | A | A | -1.1773 | |
| 284 | E | A | 0.0000 | |
| 285 | L | A | 0.0000 | |
| 286 | K | A | -2.5021 | |
| 287 | E | A | -2.6047 | |
| 288 | F | A | -1.4465 | |
| 289 | G | A | -1.3525 | |
| 290 | I | A | -0.6570 | |
| 291 | P | A | -0.1952 | |
| 292 | V | A | 0.0760 | |
| 293 | V | A | -0.2313 | |
| 294 | S | A | 0.0000 | |
| 295 | N | A | -1.1266 | |
| 296 | L | A | -0.5511 | |
| 297 | A | A | -0.5714 | |
| 298 | G | A | 0.0000 | |
| 299 | V | A | 0.0000 | |
| 300 | G | A | 0.0000 | |
| 301 | G | A | 0.0000 | |
| 302 | G | A | 0.0000 | |
| 303 | G | A | -0.8722 | |
| 304 | G | A | -1.0801 | |
| 305 | S | A | -1.1485 | |
| 306 | G | A | -1.2721 | |
| 307 | G | A | -1.2205 | |
| 308 | G | A | -1.1719 | |
| 309 | G | A | -1.1570 | |
| 310 | S | A | -1.1798 | |
| 311 | G | A | -1.2607 | |
| 312 | G | A | -0.9658 | |
| 313 | G | A | 0.0000 | |
| 314 | G | A | -0.5070 | |
| 315 | S | A | 0.0000 | |
| 316 | G | A | 0.0000 | |
| 317 | L | A | 0.0000 | |
| 318 | H | A | 0.0000 | |
| 319 | D | A | 0.0000 | |
| 320 | R | A | 0.0000 | |
| 321 | F | A | 0.0000 | |
| 322 | Q | A | -0.6429 | |
| 323 | V | A | 0.0000 | |
| 324 | T | A | -0.2364 | |
| 325 | L | A | 0.0000 | |
| 326 | S | A | -0.1908 | |
| 327 | A | A | 0.0000 | |
| 328 | K | A | -2.6429 | |
| 329 | G | A | 0.0000 | |
| 330 | K | A | -3.5174 | |
| 331 | S | A | -2.3641 | |
| 332 | E | A | -2.7457 | |
| 333 | I | A | 0.0000 | |
| 334 | S | A | -1.3700 | |
| 335 | G | A | -0.8425 | |
| 336 | T | A | 0.0000 | |
| 337 | P | A | -0.0479 | |
| 338 | V | A | 0.0000 | |
| 339 | I | A | 0.0000 | |
| 340 | L | A | 0.0000 | |
| 341 | R | A | 0.0000 | |
| 342 | P | A | 0.0000 | |
| 343 | T | A | 0.0000 | |
| 344 | L | A | 0.0000 | |
| 345 | D | A | -2.9719 | |
| 346 | D | A | -1.5780 | |
| 347 | V | A | -1.1848 | |
| 348 | F | A | -2.0838 | |
| 349 | G | A | -2.5770 | |
| 350 | E | A | -3.6365 | |
| 351 | R | A | -3.8382 | |
| 352 | A | A | 0.0000 | |
| 353 | E | A | -3.4881 | |
| 354 | E | A | -3.0705 | |
| 355 | V | A | 0.0000 | |
| 356 | V | A | -1.4435 | |
| 357 | A | A | -1.6646 | |
| 358 | E | A | -2.0663 | |
| 359 | M | A | 0.0000 | |
| 360 | R | A | -2.0103 | |
| 361 | A | A | -1.9285 | |
| 362 | R | A | -2.8912 | |
| 363 | L | A | 0.0000 | |
| 364 | D | A | -3.3312 | |
| 365 | D | A | -3.2386 | |
| 366 | Y | A | 0.0000 | |
| 367 | A | A | 0.0000 | |
| 368 | A | A | -1.4219 | |
| 369 | R | A | -1.6333 | |
| 370 | L | A | 0.0000 | |
| 371 | A | A | 0.0000 | |
| 372 | T | A | -0.7665 | |
| 373 | L | A | -0.7721 | |
| 374 | S | A | 0.0000 | |
| 375 | G | A | -1.2852 | |
| 376 | G | A | -1.1744 | |
| 377 | E | A | -1.4597 | |
| 378 | Y | A | 0.0000 | |
| 379 | S | A | -0.3097 | |
| 380 | V | A | -0.1463 | |
| 381 | A | A | -0.2915 | |
| 382 | D | A | -0.5516 | |
| 383 | L | A | 0.0000 | |
| 384 | R | A | -1.7002 | |
| 385 | A | A | -0.8971 | |
| 386 | E | A | 0.0000 | |
| 387 | L | A | 0.0000 | |
| 388 | T | A | -1.1679 | |
| 389 | Q | A | -1.1540 | |
| 390 | R | A | 0.0000 | |
| 391 | F | A | 0.0000 | |
| 392 | D | A | -1.7382 | |
| 393 | L | A | 0.0000 | |
| 394 | I | A | 0.0000 | |
| 395 | V | A | -1.8375 | |
| 396 | D | A | -2.7386 | |
| 397 | Q | A | -2.7880 | |
| 398 | K | A | -2.6059 | |
| 399 | L | A | 0.0000 | |
| 400 | P | A | 0.0000 | |
| 401 | V | A | 0.0000 | |
| 402 | G | A | 0.0000 | |
| 403 | E | A | 0.0000 | |
| 404 | I | A | 0.0000 | |
| 405 | L | A | 0.0894 | |
| 406 | V | A | 0.0000 | |
| 407 | S | A | -0.2090 | |
| 408 | P | A | -0.7174 | |
| 409 | G | A | -0.9390 | |
| 410 | G | A | -1.1448 | |
| 411 | G | A | -1.6620 | |
| 412 | N | A | -2.3591 | |
| 413 | T | A | -1.7789 | |
| 414 | V | A | 0.0000 | |
| 415 | T | A | -0.1746 | |
| 416 | V | A | 0.0000 | |
| 417 | D | A | -0.1896 | |
| 418 | F | A | 0.0000 | |
| 419 | W | A | 0.0000 | |
| 420 | P | A | 0.0000 | |
| 421 | L | A | 0.0000 | |
| 422 | Y | A | 0.0000 | |
| 423 | P | A | 0.0000 | |
| 424 | F | A | 0.0000 | |
| 425 | S | A | 0.0000 | |
| 426 | L | A | 0.0000 | |
| 427 | G | A | 0.0000 | |
| 428 | G | A | 0.0000 | |
| 429 | V | A | 0.0000 | |
| 430 | R | A | -0.7384 | |
| 431 | I | A | 0.0000 | |
| 432 | S | A | -0.4476 | |
| 433 | S | A | -0.7460 | |
| 434 | A | A | -0.6884 | |
| 435 | D | A | -1.0929 | |
| 436 | P | A | -0.5441 | |
| 437 | F | A | -0.1081 | |
| 438 | A | A | -0.3473 | |
| 439 | P | A | -0.3217 | |
| 440 | P | A | 0.0000 | |
| 441 | A | A | -0.4000 | |
| 442 | I | A | 0.0000 | |
| 443 | R | A | -0.5817 | |
| 444 | P | A | 0.0000 | |
| 445 | N | A | 0.0000 | |
| 446 | F | A | 0.0000 | |
| 447 | F | A | 0.0000 | |
| 448 | L | A | -0.3441 | |
| 449 | F | A | 0.0000 | |
| 450 | D | A | -1.6091 | |
| 451 | W | A | 0.0000 | |
| 452 | D | A | 0.0000 | |
| 453 | G | A | 0.0000 | |
| 454 | R | A | -1.0005 | |
| 455 | L | A | 0.0000 | |
| 456 | T | A | 0.0000 | |
| 457 | A | A | 0.0000 | |
| 458 | G | A | 0.0000 | |
| 459 | L | A | 0.0000 | |
| 460 | F | A | 0.0000 | |
| 461 | K | A | -1.8939 | |
| 462 | F | A | 0.0000 | |
| 463 | V | A | 0.0000 | |
| 464 | R | A | 0.0000 | |
| 465 | K | A | -2.0426 | |
| 466 | L | A | 0.0000 | |
| 467 | L | A | 0.0000 | |
| 468 | Q | A | -2.0682 | |
| 469 | S | A | 0.0000 | |
| 470 | K | A | -3.1111 | |
| 471 | P | A | -2.4955 | |
| 472 | L | A | 0.0000 | |
| 473 | N | A | -3.3524 | |
| 474 | E | A | -3.2400 | |
| 475 | L | A | -2.8298 | |
| 476 | I | A | 0.0000 | |
| 477 | E | A | -4.0133 | |
| 478 | E | A | -3.1953 | |
| 479 | I | A | 0.0000 | |
| 480 | T | A | -0.4639 | |
| 481 | V | A | 0.7073 | |
| 482 | P | A | 0.0000 | |
| 483 | G | A | -0.0616 | |
| 484 | Y | A | -0.5638 | |
| 485 | D | A | -0.9088 | |
| 486 | V | A | 0.7125 | |
| 487 | I | A | 0.0000 | |
| 488 | P | A | -1.6277 | |
| 489 | E | A | -2.9797 | |
| 490 | D | A | -2.8058 | |
| 491 | A | A | 0.0000 | |
| 492 | P | A | -1.7485 | |
| 493 | L | A | -1.7446 | |
| 494 | E | A | -2.7810 | |
| 495 | E | A | -2.4846 | |
| 496 | I | A | 0.0000 | |
| 497 | I | A | -2.2537 | |
| 498 | E | A | -3.2014 | |
| 499 | W | A | -1.9426 | |
| 500 | I | A | 0.0000 | |
| 501 | K | A | -2.8011 | |
| 502 | E | A | -3.2485 | |
| 503 | N | A | -2.3117 | |
| 504 | C | A | 0.0000 | |
| 505 | R | A | -1.7897 | |
| 506 | S | A | 0.0000 | |
| 507 | A | A | 0.0000 | |
| 508 | F | A | 0.1480 | |
| 509 | H | A | 0.0000 | |
| 510 | A | A | 0.0000 | |
| 511 | V | A | 0.0000 | |
| 512 | G | A | 0.0000 | |
| 513 | T | A | 0.0000 | |
| 514 | G | A | 0.0000 | |
| 515 | G | A | 0.0000 | |
| 516 | G | A | -0.7120 | |
| 517 | G | A | -1.0051 | |
| 518 | S | A | -1.0002 | |
| 519 | G | A | -1.3042 | |
| 520 | G | A | -1.2404 | |
| 521 | G | A | -1.2704 | |
| 522 | G | A | -1.2378 | |
| 523 | S | A | -1.0022 | |
| 524 | G | A | -1.1926 | |
| 525 | G | A | -1.2846 | |
| 526 | G | A | 0.0000 | |
| 527 | G | A | 0.0000 | |
| 528 | S | A | 0.0000 | |
| 529 | G | A | 0.0000 | |
| 530 | T | A | 0.0000 | |
| 531 | C | A | 0.0000 | |
| 532 | K | A | 0.0000 | |
| 533 | M | A | 0.0000 | |
| 534 | G | A | 0.0000 | |
| 535 | N | A | -1.5211 | |
| 536 | A | A | -0.8751 | |
| 537 | G | A | -1.2677 | |
| 538 | D | A | -1.0643 | |
| 539 | S | A | -0.9152 | |
| 540 | S | A | 0.0000 | |
| 541 | S | A | 0.0000 | |
| 542 | V | A | 0.0000 | |
| 543 | V | A | 0.0000 | |
| 544 | D | A | -1.3195 | |
| 545 | N | A | -1.3150 | |
| 546 | Q | A | -1.1843 | |
| 547 | L | A | 0.0000 | |
| 548 | R | A | -2.0132 | |
| 549 | V | A | 0.0000 | |
| 550 | H | A | -1.3454 | |
| 551 | G | A | -1.6862 | |
| 552 | V | A | 0.0000 | |
| 553 | E | A | -2.7475 | |
| 554 | G | A | 0.0000 | |
| 555 | L | A | 0.0000 | |
| 556 | R | A | -1.1675 | |
| 557 | V | A | 0.0000 | |
| 558 | V | A | 0.0000 | |
| 559 | D | A | 0.0000 | |
| 560 | A | A | -0.0421 | |
| 561 | S | A | 0.0000 | |
| 562 | V | A | 0.0000 | |
| 563 | V | A | 0.0000 | |
| 564 | P | A | 0.0000 | |
| 565 | K | A | 0.0000 | |
| 566 | I | A | 0.0000 | |
| 567 | P | A | 0.0000 | |
| 568 | G | A | 0.0000 | |
| 569 | G | A | 0.0000 | |
| 570 | H | A | -0.1239 | |
| 571 | T | A | -0.0588 | |
| 572 | G | A | -0.1943 | |
| 573 | A | A | 0.0000 | |
| 574 | P | A | 0.0000 | |
| 575 | V | A | 0.0000 | |
| 576 | V | A | 0.0000 | |
| 577 | M | A | 0.0000 | |
| 578 | I | A | 0.0000 | |
| 579 | A | A | 0.0000 | |
| 580 | E | A | 0.0000 | |
| 581 | R | A | -0.2226 | |
| 582 | A | A | 0.0000 | |
| 583 | A | A | 0.0000 | |
| 584 | A | A | 0.0649 | |
| 585 | L | A | 0.3334 | |
| 586 | L | A | 0.1148 | |
| 587 | T | A | -0.3269 | |
| 588 | G | A | -0.2448 |
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 | -0.4162 | 2.1275 | View | CSV | PDB |
| 4.5 | -0.4739 | 2.0951 | View | CSV | PDB |
| 5.0 | -0.5462 | 2.0614 | View | CSV | PDB |
| 5.5 | -0.6225 | 2.0279 | View | CSV | PDB |
| 6.0 | -0.6914 | 1.9944 | View | CSV | PDB |
| 6.5 | -0.7433 | 1.9599 | View | CSV | PDB |
| 7.0 | -0.7743 | 1.9244 | View | CSV | PDB |
| 7.5 | -0.7885 | 1.9566 | View | CSV | PDB |
| 8.0 | -0.7919 | 2.0638 | View | CSV | PDB |
| 8.5 | -0.7869 | 2.1707 | View | CSV | PDB |
| 9.0 | -0.7742 | 2.2753 | 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