| Chain sequence(s) |
A: MAPQSITELCSEYRNTQIYTINDKILSYTESMAGKREMVHTFKSGATFQVEVPGSQHIDSQKKAIERMKDTLRITYLTETKIDKLCVWNNKTPNSIAAISMENTITGDTCNEETQNLSTIYLRKYQSKVKRQIFSDYQSEVDIYNRIRDELYPQDPISMKKISRKEYVSMYGPTTGDKVRLGDTDLIAEVEHDYTIYGEELKFGGGKTLREGMSQSSNPSKEELDLIITNALIVDYTGIYKADIGIKDGKIAGIGKGGNKDMQDGVKNNLSVGPATEALAGEGLIVTAGGIDTHIHFISPQQIPTAFASGVTTMIGGGTGPADGTNATTITPGRRNLKWMLRAAEEYSMNLGFLAKGNTSNDASLADQIEAGAIGFKIHEDWGTTPSAINHALDVADKYDVQVAIHTDTLNEAGCVEDTMAAIAGRTMHTFHTEGAGGGHAPDIIKVAGEHNILPASTNPTIPFTVNTEAEHMDMLMVCHHLDKSIKEDVQFADSRIRPQTIAAEDTLHDMGIFSITSSDSQAMGRVGEVITRTWQTADKNKKEFGRLKEEKGDNDNFRIKRYLSKYTINPAIAHGISEYVGSVEVGKVADLVLWSPAFFGVKPNMIKGGFIALSQMGDANASIPTPQPVYYREMFAHHGKAKYDANITFVSQAAYDKGIKEELGLERQVLPVKNCRNITKKDMQFNDTTAHIEVNPETYHVFVDGKEVTSKPATKVSLAQLFSIF
input PDB |
| Selected Chain(s) | A |
| Distance of aggregation | 5 Å |
| FoldX usage | Yes |
| pH calculations | Yes |
| alphaCutter usage | Used: no changes made |
| 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: Running AlphaCutter (00:00:02)
[INFO] PDB: AlphaCutter did not cut any residues. The original structure will be used
for analysis. (00:00:37)
[INFO] PDB-Info: The input structure is globular. Max score is recommended for pH analysis. (00:00:39)
[INFO] FoldX: Starting FoldX energy minimization (00:00:39)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:11:49)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/ed80473bf4b8e3/tmp/folded.pdb (00:11:49)
[INFO] Main: Simulation completed successfully. (00:15:41)
|
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 | M | A | 1.0643 | |
| 2 | A | A | 0.2161 | |
| 3 | P | A | -0.4290 | |
| 4 | Q | A | -1.2541 | |
| 5 | S | A | -0.2549 | |
| 6 | I | A | 0.2807 | |
| 7 | T | A | -0.1765 | |
| 8 | E | A | -0.8697 | |
| 9 | L | A | 0.2502 | |
| 10 | C | A | 0.0000 | |
| 11 | S | A | -0.5465 | |
| 12 | E | A | -1.7566 | |
| 13 | Y | A | -0.1165 | |
| 14 | R | A | -1.9455 | |
| 15 | N | A | -1.4550 | |
| 16 | T | A | -0.3630 | |
| 17 | Q | A | -0.8668 | |
| 18 | I | A | 0.4112 | |
| 19 | Y | A | 0.4247 | |
| 20 | T | A | 0.0001 | |
| 21 | I | A | 0.1513 | |
| 22 | N | A | -1.1235 | |
| 23 | D | A | -0.6705 | |
| 24 | K | A | -0.8655 | |
| 25 | I | A | 0.0000 | |
| 26 | L | A | 0.6492 | |
| 27 | S | A | 0.0733 | |
| 28 | Y | A | 0.1829 | |
| 29 | T | A | 0.0102 | |
| 30 | E | A | 0.0000 | |
| 31 | S | A | 0.0000 | |
| 32 | M | A | 0.4586 | |
| 33 | A | A | 0.1018 | |
| 34 | G | A | -0.5104 | |
| 35 | K | A | -1.2270 | |
| 36 | R | A | -1.6030 | |
| 37 | E | A | -0.6679 | |
| 38 | M | A | 0.0000 | |
| 39 | V | A | 0.3063 | |
| 40 | H | A | 0.0000 | |
| 41 | T | A | -0.0197 | |
| 42 | F | A | 0.0000 | |
| 43 | K | A | -1.7397 | |
| 44 | S | A | -0.6159 | |
| 45 | G | A | -0.5022 | |
| 46 | A | A | -0.0740 | |
| 47 | T | A | -0.0327 | |
| 48 | F | A | 0.0000 | |
| 49 | Q | A | 0.0000 | |
| 50 | V | A | 0.0000 | |
| 51 | E | A | -0.2373 | |
| 52 | V | A | 0.0000 | |
| 53 | P | A | -0.0507 | |
| 54 | G | A | -0.0940 | |
| 55 | S | A | -0.2886 | |
| 56 | Q | A | -0.4223 | |
| 57 | H | A | 0.1947 | |
| 58 | I | A | 1.6605 | |
| 59 | D | A | -1.4569 | |
| 60 | S | A | -0.6887 | |
| 61 | Q | A | -1.0104 | |
| 62 | K | A | -1.2755 | |
| 63 | K | A | -1.1900 | |
| 64 | A | A | -0.1670 | |
| 65 | I | A | -0.0513 | |
| 66 | E | A | -1.5387 | |
| 67 | R | A | -0.7080 | |
| 68 | M | A | 0.0348 | |
| 69 | K | A | 0.0000 | |
| 70 | D | A | -0.2970 | |
| 71 | T | A | 0.0000 | |
| 72 | L | A | 0.0000 | |
| 73 | R | A | 0.0000 | |
| 74 | I | A | 0.0000 | |
| 75 | T | A | 0.0000 | |
| 76 | Y | A | 0.5092 | |
| 77 | L | A | 0.5944 | |
| 78 | T | A | 0.0000 | |
| 79 | E | A | -1.8199 | |
| 80 | T | A | 0.0000 | |
| 81 | K | A | -0.5261 | |
| 82 | I | A | 0.0000 | |
| 83 | D | A | -0.9142 | |
| 84 | K | A | -0.5779 | |
| 85 | L | A | 0.0000 | |
| 86 | C | A | 0.0000 | |
| 87 | V | A | 0.0000 | |
| 88 | W | A | 0.1375 | |
| 89 | N | A | -0.7441 | |
| 90 | N | A | -1.4173 | |
| 91 | K | A | -0.4936 | |
| 92 | T | A | -0.1304 | |
| 93 | P | A | -0.1149 | |
| 94 | N | A | -0.2160 | |
| 95 | S | A | 0.0000 | |
| 96 | I | A | 0.0000 | |
| 97 | A | A | 0.0157 | |
| 98 | A | A | 0.0480 | |
| 99 | I | A | 0.2066 | |
| 100 | S | A | -0.0790 | |
| 101 | M | A | 0.0000 | |
| 102 | E | A | -0.6181 | |
| 103 | N | A | 0.0000 | |
| 104 | T | A | 0.3365 | |
| 105 | I | A | 1.9996 | |
| 106 | T | A | 0.2516 | |
| 107 | G | A | -0.7098 | |
| 108 | D | A | -1.3767 | |
| 109 | T | A | -0.4017 | |
| 110 | C | A | 0.0000 | |
| 111 | N | A | -1.0397 | |
| 112 | E | A | -2.2866 | |
| 113 | E | A | -2.1587 | |
| 114 | T | A | -0.5635 | |
| 115 | Q | A | -1.2275 | |
| 116 | N | A | -0.3730 | |
| 117 | L | A | 0.0000 | |
| 118 | S | A | 0.0000 | |
| 119 | T | A | -0.0282 | |
| 120 | I | A | 0.0000 | |
| 121 | Y | A | 0.0000 | |
| 122 | L | A | -0.1070 | |
| 123 | R | A | -1.6494 | |
| 124 | K | A | -0.8793 | |
| 125 | Y | A | 0.0314 | |
| 126 | Q | A | -1.1432 | |
| 127 | S | A | -0.6393 | |
| 128 | K | A | -1.5461 | |
| 129 | V | A | 1.3865 | |
| 130 | K | A | -0.2799 | |
| 131 | R | A | -1.9819 | |
| 132 | Q | A | -0.9671 | |
| 133 | I | A | 0.2035 | |
| 134 | F | A | 0.0000 | |
| 135 | S | A | -0.6144 | |
| 136 | D | A | -1.7612 | |
| 137 | Y | A | -0.1797 | |
| 138 | Q | A | -1.1434 | |
| 139 | S | A | -0.6355 | |
| 140 | E | A | -1.6466 | |
| 141 | V | A | 0.4846 | |
| 142 | D | A | -0.6895 | |
| 143 | I | A | 0.1041 | |
| 144 | Y | A | 0.0000 | |
| 145 | N | A | -0.7142 | |
| 146 | R | A | -0.7697 | |
| 147 | I | A | 0.0000 | |
| 148 | R | A | -0.9027 | |
| 149 | D | A | -2.1128 | |
| 150 | E | A | -1.0705 | |
| 151 | L | A | 0.0174 | |
| 152 | Y | A | 0.0000 | |
| 153 | P | A | -0.6685 | |
| 154 | Q | A | -1.4938 | |
| 155 | D | A | -1.5710 | |
| 156 | P | A | -0.2952 | |
| 157 | I | A | 0.3799 | |
| 158 | S | A | 0.1755 | |
| 159 | M | A | 0.7199 | |
| 160 | K | A | -1.8202 | |
| 161 | K | A | -1.9085 | |
| 162 | I | A | 0.2282 | |
| 163 | S | A | -0.3836 | |
| 164 | R | A | -2.1851 | |
| 165 | K | A | -2.1868 | |
| 166 | E | A | -1.1056 | |
| 167 | Y | A | 0.0000 | |
| 168 | V | A | 0.5763 | |
| 169 | S | A | -0.0543 | |
| 170 | M | A | 0.2381 | |
| 171 | Y | A | 0.2282 | |
| 172 | G | A | 0.0000 | |
| 173 | P | A | 0.0000 | |
| 174 | T | A | 0.0000 | |
| 175 | T | A | -0.0704 | |
| 176 | G | A | -0.2187 | |
| 177 | D | A | -0.4853 | |
| 178 | K | A | -1.2803 | |
| 179 | V | A | -0.3579 | |
| 180 | R | A | -1.5409 | |
| 181 | L | A | 0.0000 | |
| 182 | G | A | 0.0000 | |
| 183 | D | A | -0.4383 | |
| 184 | T | A | 0.0000 | |
| 185 | D | A | -1.4081 | |
| 186 | L | A | 0.0000 | |
| 187 | I | A | 0.2385 | |
| 188 | A | A | 0.0000 | |
| 189 | E | A | -0.4558 | |
| 190 | V | A | 0.0000 | |
| 191 | E | A | -1.1792 | |
| 192 | H | A | -0.8690 | |
| 193 | D | A | -0.1717 | |
| 194 | Y | A | 0.6761 | |
| 195 | T | A | 0.2721 | |
| 196 | I | A | 1.0585 | |
| 197 | Y | A | 1.3796 | |
| 198 | G | A | -0.2756 | |
| 199 | E | A | -0.3836 | |
| 200 | E | A | 0.0000 | |
| 201 | L | A | 0.0000 | |
| 202 | K | A | 0.1187 | |
| 203 | F | A | 1.8504 | |
| 204 | G | A | 0.0204 | |
| 205 | G | A | -0.5330 | |
| 206 | G | A | -0.3940 | |
| 207 | K | A | -0.9287 | |
| 208 | T | A | -0.1898 | |
| 209 | L | A | 0.0000 | |
| 210 | R | A | -0.7831 | |
| 211 | E | A | -1.9242 | |
| 212 | G | A | 0.0000 | |
| 213 | M | A | 0.1297 | |
| 214 | S | A | 0.0000 | |
| 215 | Q | A | -0.4016 | |
| 216 | S | A | -0.1069 | |
| 217 | S | A | -0.4535 | |
| 218 | N | A | -1.3599 | |
| 219 | P | A | -0.5084 | |
| 220 | S | A | -0.4510 | |
| 221 | K | A | -1.9401 | |
| 222 | E | A | -1.5604 | |
| 223 | E | A | -0.4101 | |
| 224 | L | A | 0.0000 | |
| 225 | D | A | -1.4795 | |
| 226 | L | A | 0.0000 | |
| 227 | I | A | 0.0000 | |
| 228 | I | A | 0.0000 | |
| 229 | T | A | 0.0000 | |
| 230 | N | A | 0.0000 | |
| 231 | A | A | 0.0000 | |
| 232 | L | A | 0.0000 | |
| 233 | I | A | 0.0000 | |
| 234 | V | A | 0.0000 | |
| 235 | D | A | 0.0000 | |
| 236 | Y | A | 0.2001 | |
| 237 | T | A | -0.0055 | |
| 238 | G | A | 0.0000 | |
| 239 | I | A | 0.0000 | |
| 240 | Y | A | 0.0739 | |
| 241 | K | A | 0.0000 | |
| 242 | A | A | 0.0000 | |
| 243 | D | A | 0.0000 | |
| 244 | I | A | 0.0000 | |
| 245 | G | A | 0.0000 | |
| 246 | I | A | 0.0000 | |
| 247 | K | A | -1.1600 | |
| 248 | D | A | -1.9298 | |
| 249 | G | A | -0.6152 | |
| 250 | K | A | -1.0636 | |
| 251 | I | A | 0.0000 | |
| 252 | A | A | 0.0064 | |
| 253 | G | A | 0.0000 | |
| 254 | I | A | 0.2109 | |
| 255 | G | A | 0.0000 | |
| 256 | K | A | 0.0000 | |
| 257 | G | A | 0.0000 | |
| 258 | G | A | 0.0000 | |
| 259 | N | A | 0.0000 | |
| 260 | K | A | -2.0255 | |
| 261 | D | A | -2.0663 | |
| 262 | M | A | -0.1797 | |
| 263 | Q | A | -0.4252 | |
| 264 | D | A | -1.8838 | |
| 265 | G | A | -0.7171 | |
| 266 | V | A | 0.0000 | |
| 267 | K | A | -1.5052 | |
| 268 | N | A | -1.7414 | |
| 269 | N | A | -1.5066 | |
| 270 | L | A | 0.0000 | |
| 271 | S | A | -0.0417 | |
| 272 | V | A | 0.0000 | |
| 273 | G | A | 0.0000 | |
| 274 | P | A | -0.1838 | |
| 275 | A | A | 0.0210 | |
| 276 | T | A | -0.5040 | |
| 277 | E | A | -1.8203 | |
| 278 | A | A | -0.2559 | |
| 279 | L | A | 0.3938 | |
| 280 | A | A | 0.1096 | |
| 281 | G | A | 0.0000 | |
| 282 | E | A | -0.3136 | |
| 283 | G | A | -0.2252 | |
| 284 | L | A | 0.2618 | |
| 285 | I | A | 0.0000 | |
| 286 | V | A | 0.0000 | |
| 287 | T | A | 0.0000 | |
| 288 | A | A | 0.0000 | |
| 289 | G | A | 0.0000 | |
| 290 | G | A | 0.0000 | |
| 291 | I | A | 0.0000 | |
| 292 | D | A | 0.0000 | |
| 293 | T | A | 0.0000 | |
| 294 | H | A | 0.0000 | |
| 295 | I | A | 0.0000 | |
| 296 | H | A | 0.0000 | |
| 297 | F | A | 0.0000 | |
| 298 | I | A | 0.0000 | |
| 299 | S | A | -0.0841 | |
| 300 | P | A | -0.4222 | |
| 301 | Q | A | -1.2338 | |
| 302 | Q | A | 0.0000 | |
| 303 | I | A | 0.0000 | |
| 304 | P | A | -0.1809 | |
| 305 | T | A | -0.0871 | |
| 306 | A | A | 0.0000 | |
| 307 | F | A | 0.0000 | |
| 308 | A | A | 0.0072 | |
| 309 | S | A | -0.0207 | |
| 310 | G | A | 0.0000 | |
| 311 | V | A | 0.0000 | |
| 312 | T | A | 0.0000 | |
| 313 | T | A | 0.0000 | |
| 314 | M | A | 0.0000 | |
| 315 | I | A | 0.0000 | |
| 316 | G | A | 0.0000 | |
| 317 | G | A | 0.0000 | |
| 318 | G | A | 0.0000 | |
| 319 | T | A | -0.0243 | |
| 320 | G | A | -0.1066 | |
| 321 | P | A | -0.2593 | |
| 322 | A | A | -0.3471 | |
| 323 | D | A | -1.8007 | |
| 324 | G | A | -0.4237 | |
| 325 | T | A | 0.0000 | |
| 326 | N | A | -0.7860 | |
| 327 | A | A | -0.1331 | |
| 328 | T | A | 0.0000 | |
| 329 | T | A | 0.0000 | |
| 330 | I | A | 0.0000 | |
| 331 | T | A | 0.0000 | |
| 332 | P | A | -0.1161 | |
| 333 | G | A | -0.3842 | |
| 334 | R | A | -1.5779 | |
| 335 | R | A | -2.1108 | |
| 336 | N | A | -0.5741 | |
| 337 | L | A | 0.0000 | |
| 338 | K | A | -0.8157 | |
| 339 | W | A | 0.6447 | |
| 340 | M | A | 0.0000 | |
| 341 | L | A | 0.0000 | |
| 342 | R | A | -1.8015 | |
| 343 | A | A | -0.3062 | |
| 344 | A | A | 0.0000 | |
| 345 | E | A | -0.5620 | |
| 346 | E | A | -1.8213 | |
| 347 | Y | A | -0.1194 | |
| 348 | S | A | 0.0000 | |
| 349 | M | A | 0.0000 | |
| 350 | N | A | 0.0000 | |
| 351 | L | A | 0.0000 | |
| 352 | G | A | 0.0000 | |
| 353 | F | A | 0.0000 | |
| 354 | L | A | 0.0000 | |
| 355 | A | A | 0.0000 | |
| 356 | K | A | -0.3633 | |
| 357 | G | A | 0.0000 | |
| 358 | N | A | -0.1417 | |
| 359 | T | A | -0.0623 | |
| 360 | S | A | -0.3535 | |
| 361 | N | A | -1.5027 | |
| 362 | D | A | -1.3547 | |
| 363 | A | A | -0.1648 | |
| 364 | S | A | -0.0700 | |
| 365 | L | A | 0.0000 | |
| 366 | A | A | -0.2394 | |
| 367 | D | A | -1.3353 | |
| 368 | Q | A | 0.0000 | |
| 369 | I | A | 0.0000 | |
| 370 | E | A | -0.4101 | |
| 371 | A | A | 0.0000 | |
| 372 | G | A | 0.0000 | |
| 373 | A | A | 0.0000 | |
| 374 | I | A | 0.0000 | |
| 375 | G | A | 0.0000 | |
| 376 | F | A | 0.0000 | |
| 377 | K | A | 0.0000 | |
| 378 | I | A | 0.0000 | |
| 379 | H | A | 0.0000 | |
| 380 | E | A | -0.6963 | |
| 381 | D | A | -1.7406 | |
| 382 | W | A | 0.2465 | |
| 383 | G | A | -0.1119 | |
| 384 | T | A | 0.0000 | |
| 385 | T | A | -0.0447 | |
| 386 | P | A | -0.1177 | |
| 387 | S | A | -0.1514 | |
| 388 | A | A | 0.0000 | |
| 389 | I | A | 0.0000 | |
| 390 | N | A | -0.6780 | |
| 391 | H | A | -0.5606 | |
| 392 | A | A | 0.0000 | |
| 393 | L | A | 0.0000 | |
| 394 | D | A | -1.8162 | |
| 395 | V | A | 0.0000 | |
| 396 | A | A | 0.0000 | |
| 397 | D | A | -1.5316 | |
| 398 | K | A | -1.8995 | |
| 399 | Y | A | -0.2647 | |
| 400 | D | A | -0.4922 | |
| 401 | V | A | 0.0000 | |
| 402 | Q | A | 0.0000 | |
| 403 | V | A | 0.0000 | |
| 404 | A | A | 0.0000 | |
| 405 | I | A | 0.0000 | |
| 406 | H | A | 0.0000 | |
| 407 | T | A | 0.0000 | |
| 408 | D | A | 0.0000 | |
| 409 | T | A | 0.0000 | |
| 410 | L | A | 1.4663 | |
| 411 | N | A | -0.5013 | |
| 412 | E | A | -1.8972 | |
| 413 | A | A | -0.3293 | |
| 414 | G | A | -0.0469 | |
| 415 | C | A | 0.4338 | |
| 416 | V | A | 0.0000 | |
| 417 | E | A | -2.0306 | |
| 418 | D | A | -1.4685 | |
| 419 | T | A | 0.0000 | |
| 420 | M | A | 0.1657 | |
| 421 | A | A | -0.0232 | |
| 422 | A | A | 0.0172 | |
| 423 | I | A | 0.0000 | |
| 424 | A | A | -0.0214 | |
| 425 | G | A | -0.5070 | |
| 426 | R | A | -0.3645 | |
| 427 | T | A | 0.0000 | |
| 428 | M | A | 0.0000 | |
| 429 | H | A | 0.0000 | |
| 430 | T | A | 0.0000 | |
| 431 | F | A | 0.0000 | |
| 432 | H | A | 0.0000 | |
| 433 | T | A | 0.0000 | |
| 434 | E | A | 0.0000 | |
| 435 | G | A | 0.0000 | |
| 436 | A | A | 0.0000 | |
| 437 | G | A | 0.0000 | |
| 438 | G | A | 0.0000 | |
| 439 | G | A | 0.0000 | |
| 440 | H | A | 0.0000 | |
| 441 | A | A | -0.0033 | |
| 442 | P | A | -0.0992 | |
| 443 | D | A | -0.3450 | |
| 444 | I | A | 0.0000 | |
| 445 | I | A | 0.0000 | |
| 446 | K | A | -0.3381 | |
| 447 | V | A | 0.0000 | |
| 448 | A | A | 0.0000 | |
| 449 | G | A | 0.0000 | |
| 450 | E | A | -1.2827 | |
| 451 | H | A | -1.0277 | |
| 452 | N | A | 0.0000 | |
| 453 | I | A | 0.0000 | |
| 454 | L | A | 0.0000 | |
| 455 | P | A | 0.0000 | |
| 456 | A | A | 0.0000 | |
| 457 | S | A | 0.0000 | |
| 458 | T | A | 0.0000 | |
| 459 | N | A | 0.0000 | |
| 460 | P | A | 0.0000 | |
| 461 | T | A | 0.0000 | |
| 462 | I | A | 0.0000 | |
| 463 | P | A | 0.0000 | |
| 464 | F | A | 0.0000 | |
| 465 | T | A | 0.2365 | |
| 466 | V | A | 1.1836 | |
| 467 | N | A | -1.0158 | |
| 468 | T | A | 0.0000 | |
| 469 | E | A | -0.4737 | |
| 470 | A | A | -0.3657 | |
| 471 | E | A | -1.8091 | |
| 472 | H | A | 0.0000 | |
| 473 | M | A | -0.1550 | |
| 474 | D | A | -1.7325 | |
| 475 | M | A | -0.1963 | |
| 476 | L | A | 0.0000 | |
| 477 | M | A | 0.0000 | |
| 478 | V | A | 1.8279 | |
| 479 | C | A | 0.5602 | |
| 480 | H | A | -0.4840 | |
| 481 | H | A | -1.0060 | |
| 482 | L | A | -0.1565 | |
| 483 | D | A | -1.5654 | |
| 484 | K | A | -1.9791 | |
| 485 | S | A | -0.3188 | |
| 486 | I | A | 0.7887 | |
| 487 | K | A | -1.8248 | |
| 488 | E | A | -2.3144 | |
| 489 | D | A | -0.5702 | |
| 490 | V | A | 0.1971 | |
| 491 | Q | A | -1.4029 | |
| 492 | F | A | 0.1852 | |
| 493 | A | A | 0.0000 | |
| 494 | D | A | -1.8922 | |
| 495 | S | A | -0.3624 | |
| 496 | R | A | 0.0000 | |
| 497 | I | A | 0.0000 | |
| 498 | R | A | 0.0000 | |
| 499 | P | A | -0.1557 | |
| 500 | Q | A | -0.3602 | |
| 501 | T | A | 0.0000 | |
| 502 | I | A | 0.0000 | |
| 503 | A | A | 0.0000 | |
| 504 | A | A | 0.0000 | |
| 505 | E | A | 0.0000 | |
| 506 | D | A | 0.0000 | |
| 507 | T | A | 0.0000 | |
| 508 | L | A | 0.0000 | |
| 509 | H | A | 0.0000 | |
| 510 | D | A | 0.0000 | |
| 511 | M | A | 0.3245 | |
| 512 | G | A | 0.0000 | |
| 513 | I | A | 0.0000 | |
| 514 | F | A | 0.0000 | |
| 515 | S | A | 0.0000 | |
| 516 | I | A | 0.0000 | |
| 517 | T | A | 0.0000 | |
| 518 | S | A | 0.0000 | |
| 519 | S | A | 0.0000 | |
| 520 | D | A | 0.0000 | |
| 521 | S | A | 0.0000 | |
| 522 | Q | A | -0.9272 | |
| 523 | A | A | -0.1643 | |
| 524 | M | A | 0.0000 | |
| 525 | G | A | 0.0000 | |
| 526 | R | A | -1.8441 | |
| 527 | V | A | 0.0000 | |
| 528 | G | A | -0.1893 | |
| 529 | E | A | -0.4611 | |
| 530 | V | A | 0.0000 | |
| 531 | I | A | 0.0000 | |
| 532 | T | A | -0.0668 | |
| 533 | R | A | -0.3121 | |
| 534 | T | A | 0.0000 | |
| 535 | W | A | 0.0000 | |
| 536 | Q | A | 0.0000 | |
| 537 | T | A | 0.0000 | |
| 538 | A | A | 0.0000 | |
| 539 | D | A | 0.0000 | |
| 540 | K | A | 0.0000 | |
| 541 | N | A | 0.0000 | |
| 542 | K | A | -0.5696 | |
| 543 | K | A | -1.8420 | |
| 544 | E | A | -0.6399 | |
| 545 | F | A | 1.0158 | |
| 546 | G | A | -0.2173 | |
| 547 | R | A | -1.1730 | |
| 548 | L | A | -0.3607 | |
| 549 | K | A | -1.7455 | |
| 550 | E | A | -0.7729 | |
| 551 | E | A | -0.5770 | |
| 552 | K | A | -1.8212 | |
| 553 | G | A | -1.1187 | |
| 554 | D | A | -1.8765 | |
| 555 | N | A | 0.0000 | |
| 556 | D | A | 0.0000 | |
| 557 | N | A | 0.0000 | |
| 558 | F | A | 0.3354 | |
| 559 | R | A | 0.0000 | |
| 560 | I | A | 0.0000 | |
| 561 | K | A | -0.2149 | |
| 562 | R | A | 0.0000 | |
| 563 | Y | A | 0.0000 | |
| 564 | L | A | 0.0000 | |
| 565 | S | A | 0.0000 | |
| 566 | K | A | 0.0000 | |
| 567 | Y | A | 0.0000 | |
| 568 | T | A | 0.0000 | |
| 569 | I | A | 0.0000 | |
| 570 | N | A | 0.0000 | |
| 571 | P | A | 0.0000 | |
| 572 | A | A | 0.0000 | |
| 573 | I | A | 0.2390 | |
| 574 | A | A | 0.0000 | |
| 575 | H | A | 0.0000 | |
| 576 | G | A | 0.0000 | |
| 577 | I | A | 0.0000 | |
| 578 | S | A | -0.3865 | |
| 579 | E | A | -1.8062 | |
| 580 | Y | A | -0.2289 | |
| 581 | V | A | 0.0000 | |
| 582 | G | A | 0.0000 | |
| 583 | S | A | 0.0000 | |
| 584 | V | A | 0.0000 | |
| 585 | E | A | -0.1505 | |
| 586 | V | A | 1.6362 | |
| 587 | G | A | 0.0265 | |
| 588 | K | A | -0.2294 | |
| 589 | V | A | 0.0027 | |
| 590 | A | A | 0.0000 | |
| 591 | D | A | 0.0000 | |
| 592 | L | A | 0.0000 | |
| 593 | V | A | 0.0000 | |
| 594 | L | A | 0.0000 | |
| 595 | W | A | 0.0000 | |
| 596 | S | A | -0.0451 | |
| 597 | P | A | -0.0611 | |
| 598 | A | A | 0.1986 | |
| 599 | F | A | 0.8452 | |
| 600 | F | A | 0.0000 | |
| 601 | G | A | 0.0000 | |
| 602 | V | A | 0.1556 | |
| 603 | K | A | -0.4859 | |
| 604 | P | A | 0.0000 | |
| 605 | N | A | -0.4451 | |
| 606 | M | A | 0.0000 | |
| 607 | I | A | 0.0000 | |
| 608 | K | A | 0.0000 | |
| 609 | G | A | 0.0000 | |
| 610 | G | A | -0.0023 | |
| 611 | F | A | 0.4875 | |
| 612 | I | A | 0.6377 | |
| 613 | A | A | 0.0000 | |
| 614 | L | A | 0.0000 | |
| 615 | S | A | -0.1535 | |
| 616 | Q | A | -0.3401 | |
| 617 | M | A | 0.1858 | |
| 618 | G | A | 0.0000 | |
| 619 | D | A | -0.7749 | |
| 620 | A | A | -0.3181 | |
| 621 | N | A | -1.2593 | |
| 622 | A | A | -0.2573 | |
| 623 | S | A | 0.1537 | |
| 624 | I | A | 1.9281 | |
| 625 | P | A | 0.0955 | |
| 626 | T | A | -0.1361 | |
| 627 | P | A | -0.3363 | |
| 628 | Q | A | -1.2379 | |
| 629 | P | A | -0.5105 | |
| 630 | V | A | 0.5149 | |
| 631 | Y | A | 1.2407 | |
| 632 | Y | A | 0.3774 | |
| 633 | R | A | -0.6665 | |
| 634 | E | A | -1.8475 | |
| 635 | M | A | 0.2522 | |
| 636 | F | A | 1.9843 | |
| 637 | A | A | 0.0000 | |
| 638 | H | A | -0.3377 | |
| 639 | H | A | -1.0886 | |
| 640 | G | A | -0.8805 | |
| 641 | K | A | -1.7681 | |
| 642 | A | A | -0.3367 | |
| 643 | K | A | -0.1588 | |
| 644 | Y | A | -0.1465 | |
| 645 | D | A | -1.7488 | |
| 646 | A | A | 0.0000 | |
| 647 | N | A | 0.0000 | |
| 648 | I | A | 0.0000 | |
| 649 | T | A | 0.0000 | |
| 650 | F | A | 0.0000 | |
| 651 | V | A | 0.0000 | |
| 652 | S | A | 0.0000 | |
| 653 | Q | A | -0.4505 | |
| 654 | A | A | -0.0850 | |
| 655 | A | A | 0.0000 | |
| 656 | Y | A | 0.1265 | |
| 657 | D | A | -2.0081 | |
| 658 | K | A | -2.0515 | |
| 659 | G | A | -0.4315 | |
| 660 | I | A | 0.0000 | |
| 661 | K | A | -0.7592 | |
| 662 | E | A | -2.2842 | |
| 663 | E | A | -2.1220 | |
| 664 | L | A | -0.2294 | |
| 665 | G | A | -0.6241 | |
| 666 | L | A | 0.0000 | |
| 667 | E | A | -1.4930 | |
| 668 | R | A | 0.0000 | |
| 669 | Q | A | -0.6087 | |
| 670 | V | A | 0.0000 | |
| 671 | L | A | 0.2228 | |
| 672 | P | A | 0.0000 | |
| 673 | V | A | 0.0000 | |
| 674 | K | A | -0.6251 | |
| 675 | N | A | -1.3449 | |
| 676 | C | A | 0.0000 | |
| 677 | R | A | -0.4302 | |
| 678 | N | A | -1.3091 | |
| 679 | I | A | 0.0000 | |
| 680 | T | A | -0.0172 | |
| 681 | K | A | 0.0000 | |
| 682 | K | A | -1.7889 | |
| 683 | D | A | -0.9509 | |
| 684 | M | A | 0.0000 | |
| 685 | Q | A | -0.2944 | |
| 686 | F | A | 0.3594 | |
| 687 | N | A | 0.0000 | |
| 688 | D | A | -0.8596 | |
| 689 | T | A | -0.1502 | |
| 690 | T | A | -0.0284 | |
| 691 | A | A | -0.1844 | |
| 692 | H | A | -0.9888 | |
| 693 | I | A | 0.0000 | |
| 694 | E | A | -1.4395 | |
| 695 | V | A | 0.0000 | |
| 696 | N | A | -0.3656 | |
| 697 | P | A | -0.6531 | |
| 698 | E | A | -1.8729 | |
| 699 | T | A | -0.3012 | |
| 700 | Y | A | 0.2576 | |
| 701 | H | A | -0.3390 | |
| 702 | V | A | 0.0000 | |
| 703 | F | A | 0.2700 | |
| 704 | V | A | 0.0000 | |
| 705 | D | A | -1.8764 | |
| 706 | G | A | -1.1125 | |
| 707 | K | A | -2.0009 | |
| 708 | E | A | -1.3976 | |
| 709 | V | A | 0.0000 | |
| 710 | T | A | -0.0652 | |
| 711 | S | A | 0.0000 | |
| 712 | K | A | -1.7216 | |
| 713 | P | A | -0.4309 | |
| 714 | A | A | -0.0305 | |
| 715 | T | A | -0.3836 | |
| 716 | K | A | -1.6374 | |
| 717 | V | A | 0.0927 | |
| 718 | S | A | 0.0000 | |
| 719 | L | A | 0.0000 | |
| 720 | A | A | -0.2112 | |
| 721 | Q | A | -0.9083 | |
| 722 | L | A | 1.3246 | |
| 723 | F | A | 0.0000 | |
| 724 | S | A | 0.3026 | |
| 725 | I | A | 2.3519 | |
| 726 | F | A | 2.3077 |
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 | -0.2068 | 4.7232 | View | CSV | PDB |
| 4.5 | -0.234 | 4.7232 | View | CSV | PDB |
| 5.0 | -0.2676 | 4.7232 | View | CSV | PDB |
| 5.5 | -0.3014 | 4.7232 | View | CSV | PDB |
| 6.0 | -0.3293 | 4.7232 | View | CSV | PDB |
| 6.5 | -0.3466 | 4.7232 | View | CSV | PDB |
| 7.0 | -0.3529 | 4.7232 | View | CSV | PDB |
| 7.5 | -0.3516 | 4.7232 | View | CSV | PDB |
| 8.0 | -0.3458 | 4.7232 | View | CSV | PDB |
| 8.5 | -0.3367 | 4.7232 | View | CSV | PDB |
| 9.0 | -0.3234 | 4.7232 | 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