| Chain sequence(s) |
A: SPVAGQKYDYILVGGGTAACVLANRLSADGSKRVLVLEAGPDNTSRDVKIPAAITRLFRSPLDWNLFSELQEQLAERQIYMARGRLLGGSSATNATLYHRGAAGDYDAWGVEGWSSEDVLSWFVQAETNADFGPGAYHGSGGPMRVENPRYTNKQLHTAFFKAAEEVGLTPNSDFNDWSHDHAGYGTFQVMQDKGTRADMYRQYLKPVLGRRNLQVLTGAAVTKVNIDQAAGKAQALGVEFSTDGPTGERLSAELAPGGEVIMCAGAVHTPFLLKHSGVGPSAELKEFGIPVVSNLAGVGGGGGSGGGGSGGGGSNLQDQFNNGMAGEGYGVLAGASTVTYPSISDVFGNETDSIVASLRSQLSDYAAATVKVSNGHMKQEDLERLYQLQFDLIVKDKVPIAEILFHPGGGNAVSSEFWGLLPFARGNIHISSNDPTAPAAINPNYFMFEWDGKSQAGIAKYIRKILRSAPLNKLIAKETKPGLSEIPATAADEKWVEWLKANYRSNFHPVGTGGGGSGGGGSGGGGSGTCKMGNAGDSSSVVDNQLRVHGVEGLRVVDASVVPKIPGGHTGAPVVMIAERAAALLTGK
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 (00:10:09)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/3d969e17f366256/tmp/folded.pdb (00:10:09)
[INFO] Main: Simulation completed successfully. (00:16:27)
|
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 | -0.6801 | |
| 2 | P | A | -0.3972 | |
| 3 | V | A | 0.0000 | |
| 4 | A | A | -0.7714 | |
| 5 | G | A | -1.1611 | |
| 6 | Q | A | -1.6737 | |
| 7 | K | A | -1.9370 | |
| 8 | Y | A | 0.0000 | |
| 9 | D | A | -1.6156 | |
| 10 | Y | A | 0.0000 | |
| 11 | I | A | 0.0000 | |
| 12 | L | A | 0.0000 | |
| 13 | V | A | 0.0000 | |
| 14 | G | A | -0.1151 | |
| 15 | G | A | 0.0000 | |
| 16 | G | A | -0.1973 | |
| 17 | T | A | -0.0879 | |
| 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 | -0.7567 | |
| 25 | R | A | -0.8044 | |
| 26 | L | A | 0.0000 | |
| 27 | S | A | 0.0000 | |
| 28 | A | A | -1.2305 | |
| 29 | D | A | -2.1303 | |
| 30 | G | A | -1.8668 | |
| 31 | S | A | -1.3365 | |
| 32 | K | A | -1.5523 | |
| 33 | R | A | -2.1730 | |
| 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 | -0.3308 | |
| 40 | G | A | 0.0000 | |
| 41 | P | A | -1.0419 | |
| 42 | D | A | -1.6473 | |
| 43 | N | A | 0.0000 | |
| 44 | T | A | -1.1658 | |
| 45 | S | A | -1.3960 | |
| 46 | R | A | -2.1590 | |
| 47 | D | A | -1.6242 | |
| 48 | V | A | 0.0000 | |
| 49 | K | A | -1.2728 | |
| 50 | I | A | -0.1732 | |
| 51 | P | A | -0.1146 | |
| 52 | A | A | -0.0537 | |
| 53 | A | A | -0.6432 | |
| 54 | I | A | -0.2116 | |
| 55 | T | A | -0.8459 | |
| 56 | R | A | -1.9260 | |
| 57 | L | A | 0.0000 | |
| 58 | F | A | -0.8220 | |
| 59 | R | A | -2.0507 | |
| 60 | S | A | -1.3167 | |
| 61 | P | A | -0.6441 | |
| 62 | L | A | -0.8657 | |
| 63 | D | A | 0.0000 | |
| 64 | W | A | -0.3797 | |
| 65 | N | A | -0.8596 | |
| 66 | L | A | 0.0000 | |
| 67 | F | A | 0.6898 | |
| 68 | S | A | 0.0000 | |
| 69 | E | A | -1.4966 | |
| 70 | L | A | -1.5415 | |
| 71 | Q | A | 0.0000 | |
| 72 | E | A | -2.9194 | |
| 73 | Q | A | -1.6253 | |
| 74 | L | A | 0.0000 | |
| 75 | A | A | -1.7063 | |
| 76 | E | A | -3.0142 | |
| 77 | R | A | -2.1433 | |
| 78 | Q | A | -1.6724 | |
| 79 | I | A | 0.0000 | |
| 80 | Y | A | -0.1954 | |
| 81 | M | A | 0.0000 | |
| 82 | A | A | 0.0000 | |
| 83 | R | A | -0.6083 | |
| 84 | G | A | -0.6339 | |
| 85 | R | A | -0.8606 | |
| 86 | L | A | 0.0000 | |
| 87 | L | A | 0.0000 | |
| 88 | G | A | 0.0000 | |
| 89 | G | A | 0.0000 | |
| 90 | S | A | -0.3539 | |
| 91 | S | A | 0.0000 | |
| 92 | A | A | 0.0000 | |
| 93 | T | A | -0.4444 | |
| 94 | N | A | -0.2182 | |
| 95 | A | A | -0.0840 | |
| 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 | -0.6491 | |
| 103 | A | A | -1.0253 | |
| 104 | G | A | -0.9848 | |
| 105 | D | A | 0.0000 | |
| 106 | Y | A | 0.0000 | |
| 107 | D | A | -2.3240 | |
| 108 | A | A | 0.0000 | |
| 109 | W | A | 0.0000 | |
| 110 | G | A | -1.4684 | |
| 111 | V | A | 0.0000 | |
| 112 | E | A | -2.5392 | |
| 113 | G | A | -1.6984 | |
| 114 | W | A | 0.0000 | |
| 115 | S | A | -2.0060 | |
| 116 | S | A | -1.6678 | |
| 117 | E | A | -2.4274 | |
| 118 | D | A | -2.0821 | |
| 119 | V | A | 0.0000 | |
| 120 | L | A | -0.5873 | |
| 121 | S | A | -0.6158 | |
| 122 | W | A | -0.3895 | |
| 123 | F | A | 0.0000 | |
| 124 | V | A | -0.2243 | |
| 125 | Q | A | -0.8476 | |
| 126 | A | A | 0.0000 | |
| 127 | E | A | 0.0000 | |
| 128 | T | A | -0.8744 | |
| 129 | N | A | 0.0000 | |
| 130 | A | A | -1.2374 | |
| 131 | D | A | -1.5571 | |
| 132 | F | A | -0.6552 | |
| 133 | G | A | -0.8274 | |
| 134 | P | A | -0.7832 | |
| 135 | G | A | -0.5210 | |
| 136 | A | A | -0.1798 | |
| 137 | Y | A | 0.0313 | |
| 138 | H | A | 0.0000 | |
| 139 | G | A | 0.0000 | |
| 140 | S | A | -0.7921 | |
| 141 | G | A | -0.8390 | |
| 142 | G | A | 0.0000 | |
| 143 | P | A | -0.5981 | |
| 144 | M | A | 0.0000 | |
| 145 | R | A | -1.3105 | |
| 146 | V | A | 0.0000 | |
| 147 | E | A | 0.0000 | |
| 148 | N | A | -1.5843 | |
| 149 | P | A | -1.1249 | |
| 150 | R | A | -1.9233 | |
| 151 | Y | A | 0.1520 | |
| 152 | T | A | -0.8049 | |
| 153 | N | A | -1.5921 | |
| 154 | K | A | -2.5694 | |
| 155 | Q | A | -1.9905 | |
| 156 | L | A | 0.0000 | |
| 157 | H | A | -1.3376 | |
| 158 | T | A | -1.2394 | |
| 159 | A | A | 0.0000 | |
| 160 | F | A | 0.0000 | |
| 161 | F | A | -1.1191 | |
| 162 | K | A | -2.3282 | |
| 163 | A | A | 0.0000 | |
| 164 | A | A | 0.0000 | |
| 165 | E | A | -3.1285 | |
| 166 | E | A | -2.9696 | |
| 167 | V | A | -1.8443 | |
| 168 | G | A | -1.8287 | |
| 169 | L | A | 0.0000 | |
| 170 | T | A | -0.9457 | |
| 171 | P | A | -0.7843 | |
| 172 | N | A | 0.0000 | |
| 173 | S | A | -0.3987 | |
| 174 | D | A | 0.0000 | |
| 175 | F | A | 0.0000 | |
| 176 | N | A | 0.0000 | |
| 177 | D | A | -0.7090 | |
| 178 | W | A | -0.6355 | |
| 179 | S | A | -0.8518 | |
| 180 | H | A | -1.5806 | |
| 181 | D | A | -2.4677 | |
| 182 | H | A | 0.0000 | |
| 183 | A | A | -0.8936 | |
| 184 | G | A | 0.0000 | |
| 185 | Y | A | 0.0000 | |
| 186 | G | A | 0.0000 | |
| 187 | T | A | -0.1962 | |
| 188 | F | A | 0.0000 | |
| 189 | Q | A | 0.0000 | |
| 190 | V | A | 0.0000 | |
| 191 | M | A | 0.0000 | |
| 192 | Q | A | -1.5124 | |
| 193 | D | A | -2.1282 | |
| 194 | K | A | -2.6887 | |
| 195 | G | A | -1.6218 | |
| 196 | T | A | -1.0189 | |
| 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 | -1.0714 | |
| 203 | Q | A | -0.9480 | |
| 204 | Y | A | 0.0000 | |
| 205 | L | A | 0.0000 | |
| 206 | K | A | -1.6447 | |
| 207 | P | A | -1.0608 | |
| 208 | V | A | 0.0000 | |
| 209 | L | A | -0.5923 | |
| 210 | G | A | -1.1635 | |
| 211 | R | A | -1.8254 | |
| 212 | R | A | -2.3668 | |
| 213 | N | A | 0.0000 | |
| 214 | L | A | 0.0000 | |
| 215 | Q | A | -0.6730 | |
| 216 | V | A | 0.2431 | |
| 217 | L | A | -0.0013 | |
| 218 | T | A | -0.3947 | |
| 219 | G | A | -0.8681 | |
| 220 | A | A | 0.0000 | |
| 221 | A | A | -0.5058 | |
| 222 | V | A | -0.2167 | |
| 223 | T | A | 0.0000 | |
| 224 | K | A | -0.5832 | |
| 225 | V | A | 0.0000 | |
| 226 | N | A | -0.5733 | |
| 227 | I | A | -0.8090 | |
| 228 | D | A | -1.5991 | |
| 229 | Q | A | -1.8629 | |
| 230 | A | A | -1.0489 | |
| 231 | A | A | -1.1391 | |
| 232 | G | A | -1.6546 | |
| 233 | K | A | -2.7827 | |
| 234 | A | A | -2.1486 | |
| 235 | Q | A | -2.0005 | |
| 236 | A | A | 0.0000 | |
| 237 | L | A | -0.3242 | |
| 238 | G | A | 0.0000 | |
| 239 | V | A | 0.0000 | |
| 240 | E | A | -1.0419 | |
| 241 | F | A | 0.0000 | |
| 242 | S | A | 0.0000 | |
| 243 | T | A | -1.5000 | |
| 244 | D | A | -2.5136 | |
| 245 | G | A | -1.5860 | |
| 246 | P | A | -1.3066 | |
| 247 | T | A | -1.2099 | |
| 248 | G | A | -2.0537 | |
| 249 | E | A | -2.7600 | |
| 250 | R | A | -2.1244 | |
| 251 | L | A | -1.1006 | |
| 252 | S | A | -1.0207 | |
| 253 | A | A | 0.0000 | |
| 254 | E | A | -1.8746 | |
| 255 | L | A | 0.0000 | |
| 256 | A | A | -1.2118 | |
| 257 | P | A | -0.7715 | |
| 258 | G | A | -0.8880 | |
| 259 | G | A | 0.0000 | |
| 260 | E | A | -1.0710 | |
| 261 | V | A | 0.0000 | |
| 262 | I | A | 0.0000 | |
| 263 | M | A | 0.0000 | |
| 264 | C | A | 0.0000 | |
| 265 | A | A | -0.1505 | |
| 266 | G | A | -0.2030 | |
| 267 | A | A | 0.0000 | |
| 268 | V | A | 0.0000 | |
| 269 | H | A | -0.2137 | |
| 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 | -1.0292 | |
| 283 | A | A | -1.4086 | |
| 284 | E | A | 0.0000 | |
| 285 | L | A | 0.0000 | |
| 286 | K | A | -2.6103 | |
| 287 | E | A | -2.9585 | |
| 288 | F | A | -1.9199 | |
| 289 | G | A | -1.7246 | |
| 290 | I | A | 0.0000 | |
| 291 | P | A | -0.2791 | |
| 292 | V | A | 0.0390 | |
| 293 | V | A | -0.2632 | |
| 294 | S | A | 0.0000 | |
| 295 | N | A | -1.0673 | |
| 296 | L | A | -0.4913 | |
| 297 | A | A | -0.4650 | |
| 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 | -0.9178 | |
| 304 | G | A | -1.2546 | |
| 305 | S | A | -0.9853 | |
| 306 | G | A | -1.3968 | |
| 307 | G | A | -1.1487 | |
| 308 | G | A | -1.1566 | |
| 309 | G | A | -1.0882 | |
| 310 | S | A | -1.0651 | |
| 311 | G | A | -1.6920 | |
| 312 | G | A | -1.3676 | |
| 313 | G | A | 0.0000 | |
| 314 | G | A | 0.0000 | |
| 315 | S | A | 0.0000 | |
| 316 | N | A | 0.0000 | |
| 317 | L | A | 0.0000 | |
| 318 | Q | A | 0.0000 | |
| 319 | D | A | 0.0000 | |
| 320 | Q | A | 0.0000 | |
| 321 | F | A | 0.0000 | |
| 322 | N | A | 0.0000 | |
| 323 | N | A | 0.0000 | |
| 324 | G | A | -0.5926 | |
| 325 | M | A | 0.0000 | |
| 326 | A | A | -0.9678 | |
| 327 | G | A | 0.0000 | |
| 328 | E | A | -1.2201 | |
| 329 | G | A | 0.0000 | |
| 330 | Y | A | 0.8823 | |
| 331 | G | A | 0.9393 | |
| 332 | V | A | 1.2214 | |
| 333 | L | A | 0.0000 | |
| 334 | A | A | -0.5739 | |
| 335 | G | A | 0.0000 | |
| 336 | A | A | -0.7606 | |
| 337 | S | A | -0.0608 | |
| 338 | T | A | 0.0000 | |
| 339 | V | A | 0.0000 | |
| 340 | T | A | 0.0000 | |
| 341 | Y | A | 0.0000 | |
| 342 | P | A | 0.0000 | |
| 343 | S | A | 0.0000 | |
| 344 | I | A | 0.0000 | |
| 345 | S | A | -1.3533 | |
| 346 | D | A | -0.9611 | |
| 347 | V | A | 0.0000 | |
| 348 | F | A | 0.0000 | |
| 349 | G | A | -2.0465 | |
| 350 | N | A | -2.7985 | |
| 351 | E | A | -3.1502 | |
| 352 | T | A | -2.3501 | |
| 353 | D | A | -2.6502 | |
| 354 | S | A | -1.9600 | |
| 355 | I | A | 0.0000 | |
| 356 | V | A | -1.2685 | |
| 357 | A | A | -1.1772 | |
| 358 | S | A | -1.1935 | |
| 359 | L | A | 0.0000 | |
| 360 | R | A | -2.1566 | |
| 361 | S | A | -1.5401 | |
| 362 | Q | A | -1.8681 | |
| 363 | L | A | 0.0000 | |
| 364 | S | A | -2.1517 | |
| 365 | D | A | -2.0931 | |
| 366 | Y | A | 0.0000 | |
| 367 | A | A | 0.0000 | |
| 368 | A | A | -1.7214 | |
| 369 | A | A | -0.9377 | |
| 370 | T | A | 0.0000 | |
| 371 | V | A | -2.1092 | |
| 372 | K | A | -2.3596 | |
| 373 | V | A | -1.0292 | |
| 374 | S | A | 0.0000 | |
| 375 | N | A | -2.3789 | |
| 376 | G | A | -2.3693 | |
| 377 | H | A | -2.2018 | |
| 378 | M | A | 0.0000 | |
| 379 | K | A | -3.1856 | |
| 380 | Q | A | -3.1695 | |
| 381 | E | A | -3.2871 | |
| 382 | D | A | -2.6939 | |
| 383 | L | A | 0.0000 | |
| 384 | E | A | -2.7154 | |
| 385 | R | A | -2.5817 | |
| 386 | L | A | 0.0000 | |
| 387 | Y | A | 0.0000 | |
| 388 | Q | A | -1.6415 | |
| 389 | L | A | -0.8691 | |
| 390 | Q | A | 0.0000 | |
| 391 | F | A | 0.0000 | |
| 392 | D | A | -1.7447 | |
| 393 | L | A | 0.0000 | |
| 394 | I | A | 0.0000 | |
| 395 | V | A | -1.9001 | |
| 396 | K | A | -2.8495 | |
| 397 | D | A | -3.3238 | |
| 398 | K | A | -2.6460 | |
| 399 | V | A | 0.0000 | |
| 400 | P | A | 0.0000 | |
| 401 | I | A | 0.0000 | |
| 402 | A | A | 0.0000 | |
| 403 | E | A | 0.0000 | |
| 404 | I | A | 0.0000 | |
| 405 | L | A | -0.0816 | |
| 406 | F | A | 0.0000 | |
| 407 | H | A | -0.5846 | |
| 408 | P | A | -0.5476 | |
| 409 | G | A | -0.8279 | |
| 410 | G | A | -0.8285 | |
| 411 | G | A | -0.5217 | |
| 412 | N | A | -0.1567 | |
| 413 | A | A | -0.6148 | |
| 414 | V | A | 0.0000 | |
| 415 | S | A | -0.6769 | |
| 416 | S | A | 0.0000 | |
| 417 | E | A | -0.4533 | |
| 418 | F | A | 0.0000 | |
| 419 | W | A | 0.0000 | |
| 420 | G | A | -0.0780 | |
| 421 | L | A | 0.0000 | |
| 422 | L | A | 0.0000 | |
| 423 | P | A | 0.0000 | |
| 424 | F | A | 0.0000 | |
| 425 | A | A | 0.0000 | |
| 426 | R | A | 0.0000 | |
| 427 | G | A | 0.0000 | |
| 428 | N | A | 0.0000 | |
| 429 | I | A | 0.0000 | |
| 430 | H | A | 0.0000 | |
| 431 | I | A | 0.0000 | |
| 432 | S | A | -0.9035 | |
| 433 | S | A | -1.3475 | |
| 434 | N | A | -2.0699 | |
| 435 | D | A | -1.7798 | |
| 436 | P | A | -1.0754 | |
| 437 | T | A | -0.7155 | |
| 438 | A | A | -0.7578 | |
| 439 | P | A | -0.3105 | |
| 440 | A | A | 0.0000 | |
| 441 | A | A | -0.2952 | |
| 442 | I | A | 0.0000 | |
| 443 | N | A | -0.3922 | |
| 444 | P | A | 0.0000 | |
| 445 | N | A | -0.4405 | |
| 446 | Y | A | 0.0000 | |
| 447 | F | A | 0.0000 | |
| 448 | M | A | -0.2179 | |
| 449 | F | A | 0.0000 | |
| 450 | E | A | -1.6530 | |
| 451 | W | A | 0.0000 | |
| 452 | D | A | 0.0000 | |
| 453 | G | A | 0.0000 | |
| 454 | K | A | -1.0385 | |
| 455 | S | A | 0.0000 | |
| 456 | Q | A | 0.0000 | |
| 457 | A | A | 0.0000 | |
| 458 | G | A | 0.0000 | |
| 459 | I | A | 0.0000 | |
| 460 | A | A | 0.0000 | |
| 461 | K | A | -1.0941 | |
| 462 | Y | A | 0.0000 | |
| 463 | I | A | 0.0000 | |
| 464 | R | A | -1.3072 | |
| 465 | K | A | -1.8004 | |
| 466 | I | A | 0.0000 | |
| 467 | L | A | 0.0000 | |
| 468 | R | A | -2.1979 | |
| 469 | S | A | -1.9976 | |
| 470 | A | A | -1.6708 | |
| 471 | P | A | -1.3127 | |
| 472 | L | A | 0.0000 | |
| 473 | N | A | -1.8783 | |
| 474 | K | A | -1.7130 | |
| 475 | L | A | -0.7522 | |
| 476 | I | A | 0.0000 | |
| 477 | A | A | -1.1105 | |
| 478 | K | A | -1.7777 | |
| 479 | E | A | -1.3202 | |
| 480 | T | A | -1.1029 | |
| 481 | K | A | -1.2434 | |
| 482 | P | A | 0.0000 | |
| 483 | G | A | 0.0000 | |
| 484 | L | A | 0.4850 | |
| 485 | S | A | -0.4271 | |
| 486 | E | A | -1.5627 | |
| 487 | I | A | 0.0000 | |
| 488 | P | A | -0.0683 | |
| 489 | A | A | -0.0470 | |
| 490 | T | A | 0.0011 | |
| 491 | A | A | 0.0000 | |
| 492 | A | A | -0.9664 | |
| 493 | D | A | -1.8684 | |
| 494 | E | A | -2.8656 | |
| 495 | K | A | -2.7087 | |
| 496 | W | A | 0.0000 | |
| 497 | V | A | -2.0549 | |
| 498 | E | A | -2.7729 | |
| 499 | W | A | 0.0000 | |
| 500 | L | A | 0.0000 | |
| 501 | K | A | -1.4622 | |
| 502 | A | A | -1.0212 | |
| 503 | N | A | -1.0891 | |
| 504 | Y | A | 0.0000 | |
| 505 | R | A | -0.9679 | |
| 506 | S | A | 0.0000 | |
| 507 | N | A | 0.0000 | |
| 508 | F | A | 0.0478 | |
| 509 | H | A | 0.0000 | |
| 510 | P | 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 | -1.1609 | |
| 517 | G | A | -1.3679 | |
| 518 | S | A | -1.2741 | |
| 519 | G | A | -1.3984 | |
| 520 | G | A | -1.1853 | |
| 521 | G | A | -1.1917 | |
| 522 | G | A | -1.1343 | |
| 523 | S | A | -0.9654 | |
| 524 | G | A | -1.4155 | |
| 525 | G | A | -1.6277 | |
| 526 | G | A | -1.6014 | |
| 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 | -1.4045 | |
| 536 | A | A | -0.7781 | |
| 537 | G | A | -0.8795 | |
| 538 | D | A | -0.9105 | |
| 539 | S | A | -0.7010 | |
| 540 | S | A | -0.4747 | |
| 541 | S | A | 0.0000 | |
| 542 | V | A | 0.0000 | |
| 543 | V | A | 0.0000 | |
| 544 | D | A | -1.4035 | |
| 545 | N | A | -1.4584 | |
| 546 | Q | A | -1.2795 | |
| 547 | L | A | 0.0000 | |
| 548 | R | A | -2.1547 | |
| 549 | V | A | 0.0000 | |
| 550 | H | A | -1.3792 | |
| 551 | G | A | -1.7012 | |
| 552 | V | A | 0.0000 | |
| 553 | E | A | -2.8145 | |
| 554 | G | A | -1.4016 | |
| 555 | L | A | 0.0000 | |
| 556 | R | A | -1.1797 | |
| 557 | V | A | 0.0000 | |
| 558 | V | A | 0.0000 | |
| 559 | D | A | 0.0000 | |
| 560 | A | A | -0.0416 | |
| 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 | -0.1467 | |
| 571 | T | A | -0.0797 | |
| 572 | G | A | -0.1907 | |
| 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 | -0.4801 | |
| 582 | A | A | 0.0000 | |
| 583 | A | A | 0.0000 | |
| 584 | A | A | 0.0000 | |
| 585 | L | A | -0.2453 | |
| 586 | L | A | -0.2314 | |
| 587 | T | A | -0.8641 | |
| 588 | G | A | -1.0919 | |
| 589 | K | A | -1.8070 |
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 | -0.5063 | 2.8624 | View | CSV | PDB |
| 4.5 | -0.5501 | 2.8245 | View | CSV | PDB |
| 5.0 | -0.6039 | 2.7676 | View | CSV | PDB |
| 5.5 | -0.6588 | 2.7009 | View | CSV | PDB |
| 6.0 | -0.7043 | 2.6349 | View | CSV | PDB |
| 6.5 | -0.7326 | 2.5802 | View | CSV | PDB |
| 7.0 | -0.7423 | 2.5453 | View | CSV | PDB |
| 7.5 | -0.7378 | 2.5289 | View | CSV | PDB |
| 8.0 | -0.7241 | 2.5227 | View | CSV | PDB |
| 8.5 | -0.7032 | 2.5207 | View | CSV | PDB |
| 9.0 | -0.6754 | 2.5199 | 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