| Chain sequence(s) |
A: IAKNDFSDIELAAIPFNTLADHYGERLAREQLALEHESYEMGEARFRKMFERQLKAGEVADNAAAKPLITTLLPKMIARINDWFEEVKAKRGKRPTAFQFLQEIKPEAVAYITIKTTLACLTSADNTTVQAVASAIGRAIEDEARFGRIRDLEAKHFKKNVEEQLNKRVGHVYKKAFMQVVEADMLSKGLLGGEAWSSWHKEDSIHVGVRCIEMLIESTGMVSLHRQNAGVVGQDSETIELAPEYAEAIATRAGALAGISPMFQPCVVPPKPWTGITGGGYWANGRRPLALVRTHSKKALMRYEDVYMPEVYKAINIAQNTAWKINKKVLAVANVITKWKHCPVEDIPAIEREELPMKPEDIDMNPEALTAWKRAAAAVYRKDKARKSRRISLEFMLEQANKFANHKAIWFPYNMDWRGRVYAVSMFNPQGNDMTKGLLTLAKGKPIGKEGYYWLKIHGANCAGVDKVPFPERIKFIEENHENIMACAKSPLENTWWAEQDSPFCFLAFCFEYAGVQHHGLSYNCSLPLAFDGSCSGIQHFSAMLRDEVGGRAVNLLPSETVQDIYGIVAKKVNEILQADAINGTDNEVVTVTDENTGEISEKVKLGTKALAGQWLAYGVTRSVTKRSVMTLAYGSKEFGFRQQVLEDTIQPAIDSGKGLMFTQPNQAAGYMAKLIWESVSVTVVAAVEAMNWLKSAAKLLAAEVKDKKTGEILRKRCAVHWVTPDGFPVWQEYKKPIQTRLNLMFLGQFRLQPTINTNKDSEIDAHKQESGIAPNFVHSQDGSHLRKTVVWAHEKYGIESFALIHDSFGTIPADAANLFKAVRETMVDTYESCDVLADFYDQFADQLHESQLDKMPALPAKGNLNLRDILESDFAFA
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] (00:00:00)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:00)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with A chain(s) selected (00:00:00)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:00)
[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 (00:09:14)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/5fec2e5c404f298/tmp/folded.pdb (00:09:14)
[INFO] Main: Simulation completed successfully. (00:13:00)
|
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 | I | A | 0.9917 | |
| 2 | A | A | -0.2621 | |
| 3 | K | A | -1.9241 | |
| 4 | N | A | -2.2978 | |
| 5 | D | A | -1.5661 | |
| 6 | F | A | -1.1338 | |
| 7 | S | A | -1.2641 | |
| 8 | D | A | -1.2797 | |
| 9 | I | A | 0.4904 | |
| 10 | E | A | -1.0094 | |
| 11 | L | A | -0.2319 | |
| 12 | A | A | -0.0857 | |
| 13 | A | A | 0.2975 | |
| 14 | I | A | 1.0964 | |
| 15 | P | A | 0.0000 | |
| 16 | F | A | 1.0848 | |
| 17 | N | A | -0.0354 | |
| 18 | T | A | 0.0000 | |
| 19 | L | A | 0.0000 | |
| 20 | A | A | -0.4218 | |
| 21 | D | A | -1.1198 | |
| 22 | H | A | 0.0000 | |
| 23 | Y | A | 0.0000 | |
| 24 | G | A | 0.0000 | |
| 25 | E | A | 0.0000 | |
| 26 | R | A | -2.8276 | |
| 27 | L | A | 0.0000 | |
| 28 | A | A | 0.0000 | |
| 29 | R | A | -3.5281 | |
| 30 | E | A | -2.2669 | |
| 31 | Q | A | 0.0000 | |
| 32 | L | A | 0.0000 | |
| 33 | A | A | -1.5815 | |
| 34 | L | A | -1.0099 | |
| 35 | E | A | -1.0598 | |
| 36 | H | A | -1.7026 | |
| 37 | E | A | -2.3125 | |
| 38 | S | A | 0.0000 | |
| 39 | Y | A | 0.0000 | |
| 40 | E | A | -2.5299 | |
| 41 | M | A | -1.8876 | |
| 42 | G | A | -2.6609 | |
| 43 | E | A | -3.2254 | |
| 44 | A | A | -2.6279 | |
| 45 | R | A | -3.2243 | |
| 46 | F | A | -2.4325 | |
| 47 | R | A | -3.2076 | |
| 48 | K | A | -3.3136 | |
| 49 | M | A | -1.2265 | |
| 50 | F | A | -0.1371 | |
| 51 | E | A | -2.3656 | |
| 52 | R | A | -3.0851 | |
| 53 | Q | A | -2.5440 | |
| 54 | L | A | -1.8894 | |
| 55 | K | A | -3.1221 | |
| 56 | A | A | -1.9880 | |
| 57 | G | A | -1.7229 | |
| 58 | E | A | -1.9168 | |
| 59 | V | A | -0.6920 | |
| 60 | A | A | -1.8041 | |
| 61 | D | A | -2.8201 | |
| 62 | N | A | -1.8362 | |
| 63 | A | A | -0.9670 | |
| 64 | A | A | -0.4132 | |
| 65 | A | A | -0.7293 | |
| 66 | K | A | -0.9823 | |
| 67 | P | A | -0.3082 | |
| 68 | L | A | 0.0000 | |
| 69 | I | A | 0.0805 | |
| 70 | T | A | 0.0000 | |
| 71 | T | A | -0.4734 | |
| 72 | L | A | 0.0000 | |
| 73 | L | A | 0.0000 | |
| 74 | P | A | -1.4898 | |
| 75 | K | A | -1.4065 | |
| 76 | M | A | -1.1783 | |
| 77 | I | A | 0.0000 | |
| 78 | A | A | -1.6187 | |
| 79 | R | A | -2.0450 | |
| 80 | I | A | 0.0000 | |
| 81 | N | A | -1.9139 | |
| 82 | D | A | -2.6597 | |
| 83 | W | A | -1.6261 | |
| 84 | F | A | -0.8302 | |
| 85 | E | A | -3.0235 | |
| 86 | E | A | -3.5336 | |
| 87 | V | A | -2.3563 | |
| 88 | K | A | -2.8219 | |
| 89 | A | A | -2.7748 | |
| 90 | K | A | -3.8158 | |
| 91 | R | A | -3.5920 | |
| 92 | G | A | -2.7392 | |
| 93 | K | A | -2.9300 | |
| 94 | R | A | -2.4681 | |
| 95 | P | A | -1.2103 | |
| 96 | T | A | -0.7861 | |
| 97 | A | A | 0.0000 | |
| 98 | F | A | 0.0000 | |
| 99 | Q | A | -1.3041 | |
| 100 | F | A | -0.8717 | |
| 101 | L | A | 0.0000 | |
| 102 | Q | A | -1.7917 | |
| 103 | E | A | -2.4020 | |
| 104 | I | A | -1.1435 | |
| 105 | K | A | -2.0573 | |
| 106 | P | A | 0.0000 | |
| 107 | E | A | -1.3400 | |
| 108 | A | A | 0.0000 | |
| 109 | V | A | 0.0000 | |
| 110 | A | A | -0.4103 | |
| 111 | Y | A | -0.6120 | |
| 112 | I | A | 0.0000 | |
| 113 | T | A | -0.0191 | |
| 114 | I | A | 0.0000 | |
| 115 | K | A | -0.0443 | |
| 116 | T | A | -0.1811 | |
| 117 | T | A | 0.0000 | |
| 118 | L | A | 0.0000 | |
| 119 | A | A | 0.1450 | |
| 120 | C | A | 0.0653 | |
| 121 | L | A | 0.0000 | |
| 122 | T | A | 0.0000 | |
| 123 | S | A | -0.9171 | |
| 124 | A | A | -1.3695 | |
| 125 | D | A | -2.2045 | |
| 126 | N | A | -1.1113 | |
| 127 | T | A | -0.7747 | |
| 128 | T | A | -0.7212 | |
| 129 | V | A | 0.0000 | |
| 130 | Q | A | -0.8275 | |
| 131 | A | A | -0.3564 | |
| 132 | V | A | 0.0000 | |
| 133 | A | A | 0.0000 | |
| 134 | S | A | -0.7772 | |
| 135 | A | A | 0.0000 | |
| 136 | I | A | 0.0000 | |
| 137 | G | A | -1.3047 | |
| 138 | R | A | -2.3118 | |
| 139 | A | A | -1.4734 | |
| 140 | I | A | 0.0000 | |
| 141 | E | A | -1.4429 | |
| 142 | D | A | -1.6479 | |
| 143 | E | A | -1.0271 | |
| 144 | A | A | 0.0000 | |
| 145 | R | A | 0.0734 | |
| 146 | F | A | 0.9276 | |
| 147 | G | A | -0.6373 | |
| 148 | R | A | -1.1574 | |
| 149 | I | A | 0.0000 | |
| 150 | R | A | 0.0000 | |
| 151 | D | A | -2.3824 | |
| 152 | L | A | -1.9239 | |
| 153 | E | A | 0.0000 | |
| 154 | A | A | -2.2957 | |
| 155 | K | A | -3.3000 | |
| 156 | H | A | -2.3889 | |
| 157 | F | A | 0.0000 | |
| 158 | K | A | -3.4348 | |
| 159 | K | A | -3.4604 | |
| 160 | N | A | -2.7189 | |
| 161 | V | A | -1.4746 | |
| 162 | E | A | -2.8697 | |
| 163 | E | A | -3.0229 | |
| 164 | Q | A | -2.2804 | |
| 165 | L | A | -0.7786 | |
| 166 | N | A | -1.3547 | |
| 167 | K | A | -1.9452 | |
| 168 | R | A | -1.5050 | |
| 169 | V | A | -0.2890 | |
| 170 | G | A | -0.3324 | |
| 171 | H | A | -0.0043 | |
| 172 | V | A | 0.6541 | |
| 173 | Y | A | 0.2013 | |
| 174 | K | A | -1.5843 | |
| 175 | K | A | -1.9650 | |
| 176 | A | A | -0.5098 | |
| 177 | F | A | 0.6527 | |
| 178 | M | A | 0.1388 | |
| 179 | Q | A | -0.9233 | |
| 180 | V | A | -0.3366 | |
| 181 | V | A | -0.7032 | |
| 182 | E | A | -1.5485 | |
| 183 | A | A | -1.2043 | |
| 184 | D | A | -1.6243 | |
| 185 | M | A | -0.5138 | |
| 186 | L | A | -0.7465 | |
| 187 | S | A | 0.0000 | |
| 188 | K | A | -1.5823 | |
| 189 | G | A | -0.5077 | |
| 190 | L | A | 0.0000 | |
| 191 | L | A | 1.0715 | |
| 192 | G | A | 0.0047 | |
| 193 | G | A | -0.9892 | |
| 194 | E | A | -1.6798 | |
| 195 | A | A | -0.5009 | |
| 196 | W | A | 0.0968 | |
| 197 | S | A | -0.1960 | |
| 198 | S | A | -0.1596 | |
| 199 | W | A | -0.3509 | |
| 200 | H | A | -1.7087 | |
| 201 | K | A | -2.4976 | |
| 202 | E | A | -2.6773 | |
| 203 | D | A | -1.8262 | |
| 204 | S | A | 0.0000 | |
| 205 | I | A | -1.4563 | |
| 206 | H | A | -1.5710 | |
| 207 | V | A | 0.0000 | |
| 208 | G | A | 0.0000 | |
| 209 | V | A | 0.0000 | |
| 210 | R | A | -1.0058 | |
| 211 | C | A | -0.5804 | |
| 212 | I | A | 0.0000 | |
| 213 | E | A | -1.0645 | |
| 214 | M | A | 0.0000 | |
| 215 | L | A | 0.0000 | |
| 216 | I | A | 0.0000 | |
| 217 | E | A | -1.2108 | |
| 218 | S | A | -1.1513 | |
| 219 | T | A | -0.5011 | |
| 220 | G | A | 0.0000 | |
| 221 | M | A | 0.0000 | |
| 222 | V | A | 0.0000 | |
| 223 | S | A | -0.4452 | |
| 224 | L | A | 0.0000 | |
| 225 | H | A | 0.0000 | |
| 226 | R | A | -1.3235 | |
| 227 | Q | A | -1.5757 | |
| 228 | N | A | -1.5036 | |
| 229 | A | A | -0.4191 | |
| 230 | G | A | -0.0187 | |
| 231 | V | A | 1.3016 | |
| 232 | V | A | 1.6375 | |
| 233 | G | A | -0.0193 | |
| 234 | Q | A | -1.8011 | |
| 235 | D | A | -2.3049 | |
| 236 | S | A | -1.7035 | |
| 237 | E | A | -1.2263 | |
| 238 | T | A | 0.0000 | |
| 239 | I | A | 0.0000 | |
| 240 | E | A | -0.5614 | |
| 241 | L | A | 0.0000 | |
| 242 | A | A | 0.0000 | |
| 243 | P | A | -1.4180 | |
| 244 | E | A | -1.9191 | |
| 245 | Y | A | -1.1725 | |
| 246 | A | A | 0.0000 | |
| 247 | E | A | -1.8526 | |
| 248 | A | A | -0.7400 | |
| 249 | I | A | 0.8368 | |
| 250 | A | A | 0.3593 | |
| 251 | T | A | -0.4438 | |
| 252 | R | A | -1.6567 | |
| 253 | A | A | -1.1101 | |
| 254 | G | A | -0.8313 | |
| 255 | A | A | -1.0535 | |
| 256 | L | A | 0.0000 | |
| 257 | A | A | -0.5244 | |
| 258 | G | A | -0.4581 | |
| 259 | I | A | 0.2036 | |
| 260 | S | A | 0.0817 | |
| 261 | P | A | 0.2765 | |
| 262 | M | A | 0.4839 | |
| 263 | F | A | 0.8328 | |
| 264 | Q | A | 0.2458 | |
| 265 | P | A | 0.3130 | |
| 266 | C | A | 0.4070 | |
| 267 | V | A | 0.4978 | |
| 268 | V | A | 0.7078 | |
| 269 | P | A | 0.0000 | |
| 270 | P | A | 0.0000 | |
| 271 | K | A | -0.0904 | |
| 272 | P | A | 0.0000 | |
| 273 | W | A | -0.2804 | |
| 274 | T | A | -0.5203 | |
| 275 | G | A | 0.0000 | |
| 276 | I | A | 0.0000 | |
| 277 | T | A | -0.0922 | |
| 278 | G | A | 0.1550 | |
| 279 | G | A | 0.0000 | |
| 280 | G | A | 0.3538 | |
| 281 | Y | A | 0.4781 | |
| 282 | W | A | 0.0000 | |
| 283 | A | A | 0.0000 | |
| 284 | N | A | 0.0000 | |
| 285 | G | A | 0.0000 | |
| 286 | R | A | 0.0000 | |
| 287 | R | A | -0.8868 | |
| 288 | P | A | 0.0728 | |
| 289 | L | A | 0.8048 | |
| 290 | A | A | 0.2017 | |
| 291 | L | A | 0.0000 | |
| 292 | V | A | 0.0000 | |
| 293 | R | A | -0.9654 | |
| 294 | T | A | -0.7715 | |
| 295 | H | A | -1.2508 | |
| 296 | S | A | -1.5052 | |
| 297 | K | A | -2.1928 | |
| 298 | K | A | -2.2591 | |
| 299 | A | A | 0.0000 | |
| 300 | L | A | -1.3243 | |
| 301 | M | A | -1.2907 | |
| 302 | R | A | -2.0023 | |
| 303 | Y | A | 0.0000 | |
| 304 | E | A | -2.1369 | |
| 305 | D | A | -2.1222 | |
| 306 | V | A | 0.0000 | |
| 307 | Y | A | 0.3223 | |
| 308 | M | A | 0.3359 | |
| 309 | P | A | 0.0000 | |
| 310 | E | A | -2.1132 | |
| 311 | V | A | 0.0000 | |
| 312 | Y | A | -1.1203 | |
| 313 | K | A | -1.9111 | |
| 314 | A | A | 0.0000 | |
| 315 | I | A | 0.0000 | |
| 316 | N | A | -0.6361 | |
| 317 | I | A | -0.4119 | |
| 318 | A | A | 0.0000 | |
| 319 | Q | A | 0.0000 | |
| 320 | N | A | -0.2463 | |
| 321 | T | A | 0.0000 | |
| 322 | A | A | -0.6136 | |
| 323 | W | A | 0.0000 | |
| 324 | K | A | -2.1236 | |
| 325 | I | A | 0.0000 | |
| 326 | N | A | -1.7809 | |
| 327 | K | A | -2.9264 | |
| 328 | K | A | -2.2421 | |
| 329 | V | A | 0.0000 | |
| 330 | L | A | 0.0000 | |
| 331 | A | A | -0.8596 | |
| 332 | V | A | 0.0000 | |
| 333 | A | A | 0.0000 | |
| 334 | N | A | -0.8435 | |
| 335 | V | A | 0.0021 | |
| 336 | I | A | 0.0000 | |
| 337 | T | A | -0.8374 | |
| 338 | K | A | -1.9391 | |
| 339 | W | A | -1.3741 | |
| 340 | K | A | -2.0746 | |
| 341 | H | A | -1.8031 | |
| 342 | C | A | -1.2994 | |
| 343 | P | A | -1.3097 | |
| 344 | V | A | 0.0000 | |
| 345 | E | A | -2.7340 | |
| 346 | D | A | -2.4938 | |
| 347 | I | A | 0.0000 | |
| 348 | P | A | -1.1109 | |
| 349 | A | A | -1.1255 | |
| 350 | I | A | 0.0241 | |
| 351 | E | A | -2.4104 | |
| 352 | R | A | -3.5224 | |
| 353 | E | A | -3.6071 | |
| 354 | E | A | -2.1910 | |
| 355 | L | A | -0.0709 | |
| 356 | P | A | 0.1467 | |
| 357 | M | A | 0.0671 | |
| 358 | K | A | -1.5998 | |
| 359 | P | A | -2.1805 | |
| 360 | E | A | -2.7937 | |
| 361 | D | A | -2.5969 | |
| 362 | I | A | -0.3792 | |
| 363 | D | A | -1.4395 | |
| 364 | M | A | -0.5037 | |
| 365 | N | A | -1.1830 | |
| 366 | P | A | -0.9349 | |
| 367 | E | A | -1.4411 | |
| 368 | A | A | -0.2842 | |
| 369 | L | A | 0.8279 | |
| 370 | T | A | 0.0509 | |
| 371 | A | A | -0.3232 | |
| 372 | W | A | -0.1185 | |
| 373 | K | A | -1.3324 | |
| 374 | R | A | -1.7937 | |
| 375 | A | A | -0.9276 | |
| 376 | A | A | -0.5751 | |
| 377 | A | A | -0.9464 | |
| 378 | A | A | -1.0376 | |
| 379 | V | A | -0.5206 | |
| 380 | Y | A | -0.6433 | |
| 381 | R | A | -2.4304 | |
| 382 | K | A | -3.0133 | |
| 383 | D | A | -2.2424 | |
| 384 | K | A | -1.9787 | |
| 385 | A | A | -2.3759 | |
| 386 | R | A | -2.5185 | |
| 387 | K | A | -1.9586 | |
| 388 | S | A | -1.5229 | |
| 389 | R | A | -1.8829 | |
| 390 | R | A | -1.5858 | |
| 391 | I | A | 0.0000 | |
| 392 | S | A | -0.6469 | |
| 393 | L | A | -0.7353 | |
| 394 | E | A | -1.3312 | |
| 395 | F | A | -0.6400 | |
| 396 | M | A | -0.5431 | |
| 397 | L | A | -1.1065 | |
| 398 | E | A | -2.3096 | |
| 399 | Q | A | 0.0000 | |
| 400 | A | A | 0.0000 | |
| 401 | N | A | -2.2337 | |
| 402 | K | A | -2.4309 | |
| 403 | F | A | 0.0000 | |
| 404 | A | A | 0.0000 | |
| 405 | N | A | -2.8709 | |
| 406 | H | A | -2.4000 | |
| 407 | K | A | -2.2868 | |
| 408 | A | A | 0.0000 | |
| 409 | I | A | 0.0000 | |
| 410 | W | A | 0.1465 | |
| 411 | F | A | 0.0000 | |
| 412 | P | A | 0.0288 | |
| 413 | Y | A | 0.0000 | |
| 414 | N | A | 0.1015 | |
| 415 | M | A | 0.0000 | |
| 416 | D | A | 0.0000 | |
| 417 | W | A | 0.0000 | |
| 418 | R | A | -1.0857 | |
| 419 | G | A | 0.0000 | |
| 420 | R | A | -0.7631 | |
| 421 | V | A | 0.0000 | |
| 422 | Y | A | 1.0053 | |
| 423 | A | A | 0.5319 | |
| 424 | V | A | 0.5516 | |
| 425 | S | A | 0.0000 | |
| 426 | M | A | 0.3351 | |
| 427 | F | A | 0.0000 | |
| 428 | N | A | -0.6399 | |
| 429 | P | A | -0.3801 | |
| 430 | Q | A | -1.3547 | |
| 431 | G | A | -1.7997 | |
| 432 | N | A | -2.4895 | |
| 433 | D | A | -2.5522 | |
| 434 | M | A | -1.1219 | |
| 435 | T | A | -1.0370 | |
| 436 | K | A | -1.2980 | |
| 437 | G | A | -0.8301 | |
| 438 | L | A | 0.0000 | |
| 439 | L | A | -0.3016 | |
| 440 | T | A | -0.2934 | |
| 441 | L | A | 0.0000 | |
| 442 | A | A | -1.0253 | |
| 443 | K | A | -1.8539 | |
| 444 | G | A | -1.7350 | |
| 445 | K | A | -2.3763 | |
| 446 | P | A | -1.0321 | |
| 447 | I | A | -0.2167 | |
| 448 | G | A | 0.0000 | |
| 449 | K | A | -1.7492 | |
| 450 | E | A | -0.9864 | |
| 451 | G | A | 0.0000 | |
| 452 | Y | A | 1.1235 | |
| 453 | Y | A | 0.8472 | |
| 454 | W | A | 0.0000 | |
| 455 | L | A | 0.5690 | |
| 456 | K | A | -0.4557 | |
| 457 | I | A | 0.0000 | |
| 458 | H | A | -0.1721 | |
| 459 | G | A | -0.3025 | |
| 460 | A | A | 0.0279 | |
| 461 | N | A | -0.1958 | |
| 462 | C | A | 0.0243 | |
| 463 | A | A | -0.1147 | |
| 464 | G | A | -0.4447 | |
| 465 | V | A | -0.3031 | |
| 466 | D | A | -0.6296 | |
| 467 | K | A | 0.0000 | |
| 468 | V | A | -0.1340 | |
| 469 | P | A | 0.0000 | |
| 470 | F | A | 0.0000 | |
| 471 | P | A | -0.7198 | |
| 472 | E | A | -1.2979 | |
| 473 | R | A | 0.0000 | |
| 474 | I | A | -1.0555 | |
| 475 | K | A | -2.3324 | |
| 476 | F | A | -0.9160 | |
| 477 | I | A | 0.0000 | |
| 478 | E | A | -3.4470 | |
| 479 | E | A | -3.4553 | |
| 480 | N | A | -3.3427 | |
| 481 | H | A | -3.3521 | |
| 482 | E | A | -3.6234 | |
| 483 | N | A | -2.5369 | |
| 484 | I | A | 0.0000 | |
| 485 | M | A | -1.7130 | |
| 486 | A | A | -1.7274 | |
| 487 | C | A | 0.0000 | |
| 488 | A | A | -1.0459 | |
| 489 | K | A | -1.9026 | |
| 490 | S | A | -1.2658 | |
| 491 | P | A | -0.7706 | |
| 492 | L | A | -1.3078 | |
| 493 | E | A | -2.0712 | |
| 494 | N | A | 0.0000 | |
| 495 | T | A | -0.7308 | |
| 496 | W | A | -0.8416 | |
| 497 | W | A | 0.0000 | |
| 498 | A | A | -1.9215 | |
| 499 | E | A | -3.1094 | |
| 500 | Q | A | -3.2154 | |
| 501 | D | A | -2.8521 | |
| 502 | S | A | -1.6280 | |
| 503 | P | A | -1.2940 | |
| 504 | F | A | -0.3608 | |
| 505 | C | A | 0.0000 | |
| 506 | F | A | 0.0000 | |
| 507 | L | A | 0.0000 | |
| 508 | A | A | 0.0000 | |
| 509 | F | A | -0.3931 | |
| 510 | C | A | 0.0000 | |
| 511 | F | A | 0.0000 | |
| 512 | E | A | -0.7483 | |
| 513 | Y | A | -0.0145 | |
| 514 | A | A | 0.0000 | |
| 515 | G | A | -0.5815 | |
| 516 | V | A | 0.6505 | |
| 517 | Q | A | -0.5936 | |
| 518 | H | A | -1.3403 | |
| 519 | H | A | -1.0144 | |
| 520 | G | A | -0.0819 | |
| 521 | L | A | 1.2368 | |
| 522 | S | A | 0.4836 | |
| 523 | Y | A | 0.6783 | |
| 524 | N | A | -0.9069 | |
| 525 | C | A | -0.5234 | |
| 526 | S | A | -1.0996 | |
| 527 | L | A | -0.5462 | |
| 528 | P | A | 0.0000 | |
| 529 | L | A | 0.0000 | |
| 530 | A | A | 0.0853 | |
| 531 | F | A | -0.1172 | |
| 532 | D | A | -0.7519 | |
| 533 | G | A | -0.3656 | |
| 534 | S | A | -0.3822 | |
| 535 | C | A | -0.0613 | |
| 536 | S | A | 0.0000 | |
| 537 | G | A | 0.0000 | |
| 538 | I | A | 0.2435 | |
| 539 | Q | A | 0.0000 | |
| 540 | H | A | 0.0000 | |
| 541 | F | A | 0.0000 | |
| 542 | S | A | 0.0000 | |
| 543 | A | A | 0.0000 | |
| 544 | M | A | -0.9051 | |
| 545 | L | A | 0.0000 | |
| 546 | R | A | -1.2255 | |
| 547 | D | A | 0.0000 | |
| 548 | E | A | -1.4911 | |
| 549 | V | A | 0.9392 | |
| 550 | G | A | 0.0000 | |
| 551 | G | A | 0.0000 | |
| 552 | R | A | -1.6520 | |
| 553 | A | A | 0.0000 | |
| 554 | V | A | 0.0000 | |
| 555 | N | A | 0.0000 | |
| 556 | L | A | 0.0000 | |
| 557 | L | A | -0.8386 | |
| 558 | P | A | -1.2598 | |
| 559 | S | A | -1.3278 | |
| 560 | E | A | -1.7709 | |
| 561 | T | A | -0.9972 | |
| 562 | V | A | 0.0000 | |
| 563 | Q | A | -1.2411 | |
| 564 | D | A | 0.0000 | |
| 565 | I | A | 0.0000 | |
| 566 | Y | A | -1.0288 | |
| 567 | G | A | -0.9573 | |
| 568 | I | A | -1.2175 | |
| 569 | V | A | 0.0000 | |
| 570 | A | A | -1.4906 | |
| 571 | K | A | -2.4851 | |
| 572 | K | A | -1.9466 | |
| 573 | V | A | 0.0000 | |
| 574 | N | A | -2.6287 | |
| 575 | E | A | -2.9912 | |
| 576 | I | A | -1.3620 | |
| 577 | L | A | -1.0020 | |
| 578 | Q | A | -1.4338 | |
| 579 | A | A | -0.8017 | |
| 580 | D | A | -0.9871 | |
| 581 | A | A | -0.1771 | |
| 582 | I | A | 0.9458 | |
| 583 | N | A | -0.9567 | |
| 584 | G | A | -1.1847 | |
| 585 | T | A | -2.0377 | |
| 586 | D | A | -3.0320 | |
| 587 | N | A | -2.4630 | |
| 588 | E | A | -1.2902 | |
| 589 | V | A | 1.4333 | |
| 590 | V | A | 2.1101 | |
| 591 | T | A | 0.7683 | |
| 592 | V | A | 1.2259 | |
| 593 | T | A | -0.2413 | |
| 594 | D | A | -1.6883 | |
| 595 | E | A | -1.5451 | |
| 596 | N | A | -2.0015 | |
| 597 | T | A | -1.1504 | |
| 598 | G | A | -1.2995 | |
| 599 | E | A | -1.6856 | |
| 600 | I | A | 0.0926 | |
| 601 | S | A | -0.9788 | |
| 602 | E | A | -2.1723 | |
| 603 | K | A | -1.8173 | |
| 604 | V | A | -0.6047 | |
| 605 | K | A | -1.2556 | |
| 606 | L | A | 0.0296 | |
| 607 | G | A | -0.7831 | |
| 608 | T | A | -1.0908 | |
| 609 | K | A | -1.8999 | |
| 610 | A | A | -0.6448 | |
| 611 | L | A | -0.2669 | |
| 612 | A | A | 0.0000 | |
| 613 | G | A | -0.0712 | |
| 614 | Q | A | 0.3016 | |
| 615 | W | A | 0.0000 | |
| 616 | L | A | 0.7544 | |
| 617 | A | A | 0.9159 | |
| 618 | Y | A | 0.5467 | |
| 619 | G | A | -0.1882 | |
| 620 | V | A | 0.0000 | |
| 621 | T | A | -0.9914 | |
| 622 | R | A | -2.1187 | |
| 623 | S | A | -1.8663 | |
| 624 | V | A | 0.0000 | |
| 625 | T | A | 0.0000 | |
| 626 | K | A | -2.1432 | |
| 627 | R | A | -2.6798 | |
| 628 | S | A | -1.1785 | |
| 629 | V | A | 0.0000 | |
| 630 | M | A | -0.2871 | |
| 631 | T | A | 0.0516 | |
| 632 | L | A | 0.0000 | |
| 633 | A | A | 0.0000 | |
| 634 | Y | A | -0.0621 | |
| 635 | G | A | -1.0752 | |
| 636 | S | A | -1.0610 | |
| 637 | K | A | -2.2416 | |
| 638 | E | A | -2.4770 | |
| 639 | F | A | -0.3537 | |
| 640 | G | A | -1.1705 | |
| 641 | F | A | 0.0000 | |
| 642 | R | A | -2.3345 | |
| 643 | Q | A | -2.2017 | |
| 644 | Q | A | -1.9917 | |
| 645 | V | A | 0.0000 | |
| 646 | L | A | -1.9314 | |
| 647 | E | A | -3.1585 | |
| 648 | D | A | -3.0182 | |
| 649 | T | A | -1.4464 | |
| 650 | I | A | 0.0000 | |
| 651 | Q | A | -1.5258 | |
| 652 | P | A | -1.0131 | |
| 653 | A | A | -1.0401 | |
| 654 | I | A | -1.3209 | |
| 655 | D | A | -2.1255 | |
| 656 | S | A | -1.6417 | |
| 657 | G | A | -1.3333 | |
| 658 | K | A | -1.4459 | |
| 659 | G | A | -0.3294 | |
| 660 | L | A | 1.1085 | |
| 661 | M | A | 0.4334 | |
| 662 | F | A | 0.0000 | |
| 663 | T | A | -0.5241 | |
| 664 | Q | A | -0.6084 | |
| 665 | P | A | -0.7776 | |
| 666 | N | A | -0.5512 | |
| 667 | Q | A | 0.0000 | |
| 668 | A | A | 0.0000 | |
| 669 | A | A | 0.0000 | |
| 670 | G | A | 0.0000 | |
| 671 | Y | A | -0.3587 | |
| 672 | M | A | 0.0000 | |
| 673 | A | A | 0.0000 | |
| 674 | K | A | -1.2732 | |
| 675 | L | A | 0.0000 | |
| 676 | I | A | 0.0000 | |
| 677 | W | A | -0.9031 | |
| 678 | E | A | -0.7526 | |
| 679 | S | A | 0.0000 | |
| 680 | V | A | 0.0000 | |
| 681 | S | A | 0.9865 | |
| 682 | V | A | 2.4998 | |
| 683 | T | A | 0.0000 | |
| 684 | V | A | 0.0000 | |
| 685 | V | A | 2.3139 | |
| 686 | A | A | 0.0000 | |
| 687 | A | A | 0.0000 | |
| 688 | V | A | 0.1204 | |
| 689 | E | A | -1.4523 | |
| 690 | A | A | 0.0000 | |
| 691 | M | A | -1.1257 | |
| 692 | N | A | -1.8387 | |
| 693 | W | A | 0.0000 | |
| 694 | L | A | 0.0000 | |
| 695 | K | A | -1.9303 | |
| 696 | S | A | -1.7769 | |
| 697 | A | A | 0.0000 | |
| 698 | A | A | 0.0000 | |
| 699 | K | A | -1.6542 | |
| 700 | L | A | 0.0000 | |
| 701 | L | A | 0.0000 | |
| 702 | A | A | -1.1632 | |
| 703 | A | A | -1.2698 | |
| 704 | E | A | -2.1360 | |
| 705 | V | A | -1.7520 | |
| 706 | K | A | -3.6326 | |
| 707 | D | A | -4.3338 | |
| 708 | K | A | -3.8324 | |
| 709 | K | A | -3.6598 | |
| 710 | T | A | -2.5107 | |
| 711 | G | A | -2.9340 | |
| 712 | E | A | -2.7314 | |
| 713 | I | A | -1.3863 | |
| 714 | L | A | -0.5125 | |
| 715 | R | A | -1.6129 | |
| 716 | K | A | -2.1557 | |
| 717 | R | A | -1.5435 | |
| 718 | C | A | -0.6967 | |
| 719 | A | A | -0.2213 | |
| 720 | V | A | 0.0000 | |
| 721 | H | A | -0.5161 | |
| 722 | W | A | 0.0000 | |
| 723 | V | A | -0.5475 | |
| 724 | T | A | 0.0000 | |
| 725 | P | A | -0.8213 | |
| 726 | D | A | -1.6306 | |
| 727 | G | A | 0.0000 | |
| 728 | F | A | 0.0000 | |
| 729 | P | A | 0.0000 | |
| 730 | V | A | 0.0000 | |
| 731 | W | A | -0.3281 | |
| 732 | Q | A | -0.4713 | |
| 733 | E | A | -0.6989 | |
| 734 | Y | A | 0.0000 | |
| 735 | K | A | -2.1756 | |
| 736 | K | A | -2.2160 | |
| 737 | P | A | -1.7564 | |
| 738 | I | A | 0.0000 | |
| 739 | Q | A | -1.4169 | |
| 740 | T | A | -1.3897 | |
| 741 | R | A | -1.9095 | |
| 742 | L | A | -0.8816 | |
| 743 | N | A | -1.2790 | |
| 744 | L | A | -0.2785 | |
| 745 | M | A | 0.9347 | |
| 746 | F | A | 1.5138 | |
| 747 | L | A | 1.7117 | |
| 748 | G | A | 0.2039 | |
| 749 | Q | A | -0.4014 | |
| 750 | F | A | 0.4683 | |
| 751 | R | A | -1.1742 | |
| 752 | L | A | 0.0000 | |
| 753 | Q | A | -0.8419 | |
| 754 | P | A | 0.0000 | |
| 755 | T | A | 0.0000 | |
| 756 | I | A | 0.0000 | |
| 757 | N | A | -0.9561 | |
| 758 | T | A | -1.6948 | |
| 759 | N | A | -2.3865 | |
| 760 | K | A | -2.8668 | |
| 761 | D | A | -2.9339 | |
| 762 | S | A | -1.8892 | |
| 763 | E | A | -1.9850 | |
| 764 | I | A | -1.2829 | |
| 765 | D | A | -1.6425 | |
| 766 | A | A | -1.1766 | |
| 767 | H | A | -1.6841 | |
| 768 | K | A | -1.6418 | |
| 769 | Q | A | 0.0000 | |
| 770 | E | A | -2.3763 | |
| 771 | S | A | -1.5853 | |
| 772 | G | A | -1.0897 | |
| 773 | I | A | 0.0000 | |
| 774 | A | A | 0.0000 | |
| 775 | P | A | -0.2551 | |
| 776 | N | A | 0.0000 | |
| 777 | F | A | 0.0000 | |
| 778 | V | A | 0.0000 | |
| 779 | H | A | -0.5609 | |
| 780 | S | A | 0.0000 | |
| 781 | Q | A | 0.0000 | |
| 782 | D | A | 0.0000 | |
| 783 | G | A | 0.0000 | |
| 784 | S | A | -0.5934 | |
| 785 | H | A | 0.0000 | |
| 786 | L | A | 0.0000 | |
| 787 | R | A | 0.0000 | |
| 788 | K | A | -1.1246 | |
| 789 | T | A | 0.0000 | |
| 790 | V | A | 0.0000 | |
| 791 | V | A | -1.5584 | |
| 792 | W | A | 0.0000 | |
| 793 | A | A | 0.0000 | |
| 794 | H | A | -2.2489 | |
| 795 | E | A | -2.8342 | |
| 796 | K | A | -2.6325 | |
| 797 | Y | A | -1.7907 | |
| 798 | G | A | -1.8640 | |
| 799 | I | A | -1.2750 | |
| 800 | E | A | -2.2336 | |
| 801 | S | A | -1.1545 | |
| 802 | F | A | 0.0000 | |
| 803 | A | A | 0.1383 | |
| 804 | L | A | 0.0000 | |
| 805 | I | A | 0.2035 | |
| 806 | H | A | 0.0000 | |
| 807 | D | A | -1.0993 | |
| 808 | S | A | -0.5625 | |
| 809 | F | A | 0.0927 | |
| 810 | G | A | 0.2424 | |
| 811 | T | A | 0.0000 | |
| 812 | I | A | -0.7129 | |
| 813 | P | A | 0.0000 | |
| 814 | A | A | -1.4915 | |
| 815 | D | A | -2.4961 | |
| 816 | A | A | 0.0000 | |
| 817 | A | A | -1.3676 | |
| 818 | N | A | -1.7479 | |
| 819 | L | A | 0.0000 | |
| 820 | F | A | -0.5872 | |
| 821 | K | A | -1.5759 | |
| 822 | A | A | 0.0000 | |
| 823 | V | A | -0.6704 | |
| 824 | R | A | -1.4491 | |
| 825 | E | A | -2.3764 | |
| 826 | T | A | 0.0000 | |
| 827 | M | A | 0.0000 | |
| 828 | V | A | 0.0000 | |
| 829 | D | A | -2.5009 | |
| 830 | T | A | 0.0000 | |
| 831 | Y | A | 0.0000 | |
| 832 | E | A | -2.3781 | |
| 833 | S | A | -1.4819 | |
| 834 | C | A | -1.1242 | |
| 835 | D | A | -1.3521 | |
| 836 | V | A | -0.4746 | |
| 837 | L | A | 0.0000 | |
| 838 | A | A | -0.8604 | |
| 839 | D | A | -1.4278 | |
| 840 | F | A | 0.0000 | |
| 841 | Y | A | -1.2656 | |
| 842 | D | A | -2.5192 | |
| 843 | Q | A | -1.8857 | |
| 844 | F | A | 0.0000 | |
| 845 | A | A | -1.8661 | |
| 846 | D | A | -2.6545 | |
| 847 | Q | A | -1.6578 | |
| 848 | L | A | 0.0000 | |
| 849 | H | A | 0.0000 | |
| 850 | E | A | -2.7547 | |
| 851 | S | A | -1.6184 | |
| 852 | Q | A | -1.5419 | |
| 853 | L | A | -1.5611 | |
| 854 | D | A | -2.7739 | |
| 855 | K | A | -2.9056 | |
| 856 | M | A | 0.0000 | |
| 857 | P | A | -1.0396 | |
| 858 | A | A | -0.0998 | |
| 859 | L | A | -0.0307 | |
| 860 | P | A | -0.4364 | |
| 861 | A | A | -1.0781 | |
| 862 | K | A | -2.1910 | |
| 863 | G | A | -1.8990 | |
| 864 | N | A | -2.0897 | |
| 865 | L | A | -1.7773 | |
| 866 | N | A | -1.7854 | |
| 867 | L | A | -2.1176 | |
| 868 | R | A | -2.9070 | |
| 869 | D | A | -2.4603 | |
| 870 | I | A | 0.0000 | |
| 871 | L | A | -2.3004 | |
| 872 | E | A | -2.8318 | |
| 873 | S | A | -1.8690 | |
| 874 | D | A | -1.7496 | |
| 875 | F | A | -0.2325 | |
| 876 | A | A | 0.0000 | |
| 877 | F | A | -0.5401 | |
| 878 | A | A | -0.1498 |
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 | -0.6529 | 3.1415 | View | CSV | PDB |
| 4.5 | -0.7374 | 3.0684 | View | CSV | PDB |
| 5.0 | -0.8424 | 2.9769 | View | CSV | PDB |
| 5.5 | -0.9468 | 2.8777 | View | CSV | PDB |
| 6.0 | -1.029 | 2.8485 | View | CSV | PDB |
| 6.5 | -1.0743 | 2.8485 | View | CSV | PDB |
| 7.0 | -1.0814 | 2.8485 | View | CSV | PDB |
| 7.5 | -1.0614 | 2.8485 | View | CSV | PDB |
| 8.0 | -1.0262 | 2.8485 | View | CSV | PDB |
| 8.5 | -0.9813 | 2.8802 | View | CSV | PDB |
| 9.0 | -0.9263 | 3.1385 | 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