| Chain sequence(s) |
A: MSDQEAKPSTEDLGDKKEGEYIKLKVIGQDSSEIHFKVKMTTHLKKLKESYCQRQGVPMNSLRFLFEGQRIADNHTPKELGMEEEDVIEVYQEQTGGHSTVDNSRLWQAGKEHIFHYTGRLLSGIPGLRPHFSGIGIETEVHLQVKSLEDIRLNLRQVNYTQVNGPLSPGLPHVTSSYEGSNWRYVLLPQFTQAPIDIKKLLKVPITFAIHDGEIKTITVSGTEQKWSLNFKKALVALFQTKMETSTLDNKMNTIVKDSDSTKNYWKVSEETIEGVCDVIYQVNELPEYIVKERAHYFPHLEACTSKKFYEITKTKNIDSCKKSAVYTFMKPAVKAKKCNSFKCLSNTFGSASSMTRYYACGPRSNWILQTIVNEGEIVQRPVGVKSETITTGTRQVLKLRTIQPISSEVPKPPQPRTTEKIMYEYINAGQVSRQQIGIIPKIPQSELKSGEIYKYLPRHFNPAPSSTESKQHLSATKIKAELKSYIISIIDDLSSVEELAQKEIPLRLTTFIRGMTLLKVEDIKSLYTDLKSTVYSPAHSNQEKISMFHNIFFDAVMVSGTTPAVLFLKDMIKSKEIPTYQATYLLMLLPHHIITPTKEVFTSLLEIIQSEIVISNTILYNTAILSMSNLVEKTCLDKSRQVSYPTAVFGQFCDAQSEIVTEKWIPYLTKAVQTAPTADRRNAIIMALGALKHKDIIPALLPLVEGHGPIEQGSGVAFPNISRTLSIYAIGNVRVHHPELVLPIILSVYSNPAENTQLRIAAFNMLVNMNPPMNIIQKIAAMTWSEKNTEVLKKTYTGFYTLSRSVDISNLEDTSPESTLAKKTQLVVPLMRKTSGVLQGGSGVEHHHHHH
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] (00:00:02)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:02)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with A chain(s) selected (00:00:02)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:02)
[INFO] PDB-Info: The input structure is globular. Max score is recommended for pH analysis. (00:00:10)
[INFO] FoldX: Starting FoldX energy minimization (00:00:10)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:28:17)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/ccd75279aae2078/tmp/folded.pdb (00:28:17)
[INFO] Main: Simulation completed successfully. (00:46:52)
|
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 | 0.3272 | |
| 2 | S | A | -1.1795 | |
| 3 | D | A | -2.7272 | |
| 4 | Q | A | -3.1126 | |
| 5 | E | A | -3.4484 | |
| 6 | A | A | -2.3655 | |
| 7 | K | A | -2.5522 | |
| 8 | P | A | -1.7046 | |
| 9 | S | A | -1.6181 | |
| 10 | T | A | -1.6513 | |
| 11 | E | A | -2.4546 | |
| 12 | D | A | -2.4183 | |
| 13 | L | A | -0.8007 | |
| 14 | G | A | -2.1677 | |
| 15 | D | A | -3.5460 | |
| 16 | K | A | -3.8962 | |
| 17 | K | A | -4.5197 | |
| 18 | E | A | -4.0121 | |
| 19 | G | A | -3.1565 | |
| 20 | E | A | -2.8536 | |
| 21 | Y | A | -1.7291 | |
| 22 | I | A | 0.0000 | |
| 23 | K | A | -2.8040 | |
| 24 | L | A | 0.0000 | |
| 25 | K | A | -1.7256 | |
| 26 | V | A | 0.0000 | |
| 27 | I | A | -1.0024 | |
| 28 | G | A | 0.0000 | |
| 29 | Q | A | -2.4464 | |
| 30 | D | A | -2.5620 | |
| 31 | S | A | -1.8115 | |
| 32 | S | A | -1.4924 | |
| 33 | E | A | -1.7633 | |
| 34 | I | A | -0.7850 | |
| 35 | H | A | -1.5566 | |
| 36 | F | A | -1.5321 | |
| 37 | K | A | -2.5733 | |
| 38 | V | A | 0.0000 | |
| 39 | K | A | -1.7263 | |
| 40 | M | A | -2.2226 | |
| 41 | T | A | -1.2581 | |
| 42 | T | A | -1.4721 | |
| 43 | H | A | -2.6795 | |
| 44 | L | A | 0.0000 | |
| 45 | K | A | -3.3056 | |
| 46 | K | A | -3.2132 | |
| 47 | L | A | 0.0000 | |
| 48 | K | A | -2.6066 | |
| 49 | E | A | -3.2540 | |
| 50 | S | A | -2.3756 | |
| 51 | Y | A | 0.0000 | |
| 52 | C | A | 0.0000 | |
| 53 | Q | A | -2.8091 | |
| 54 | R | A | -3.0308 | |
| 55 | Q | A | -2.2648 | |
| 56 | G | A | -1.6369 | |
| 57 | V | A | -1.1247 | |
| 58 | P | A | -0.9390 | |
| 59 | M | A | -1.5096 | |
| 60 | N | A | -1.9490 | |
| 61 | S | A | -1.7398 | |
| 62 | L | A | 0.0000 | |
| 63 | R | A | -2.3907 | |
| 64 | F | A | 0.0000 | |
| 65 | L | A | -1.8115 | |
| 66 | F | A | 0.0000 | |
| 67 | E | A | -2.5905 | |
| 68 | G | A | -2.6790 | |
| 69 | Q | A | -2.8838 | |
| 70 | R | A | -3.2220 | |
| 71 | I | A | 0.0000 | |
| 72 | A | A | -2.1617 | |
| 73 | D | A | -3.4467 | |
| 74 | N | A | -2.9471 | |
| 75 | H | A | -2.5049 | |
| 76 | T | A | -2.1938 | |
| 77 | P | A | 0.0000 | |
| 78 | K | A | -2.7999 | |
| 79 | E | A | -2.7661 | |
| 80 | L | A | -1.8758 | |
| 81 | G | A | -1.8655 | |
| 82 | M | A | 0.0000 | |
| 83 | E | A | -3.3012 | |
| 84 | E | A | -3.5495 | |
| 85 | E | A | -3.5295 | |
| 86 | D | A | -2.4830 | |
| 87 | V | A | -1.1536 | |
| 88 | I | A | 0.0000 | |
| 89 | E | A | -1.7544 | |
| 90 | V | A | 0.0000 | |
| 91 | Y | A | -1.7282 | |
| 92 | Q | A | -2.6626 | |
| 93 | E | A | -3.1393 | |
| 94 | Q | A | -2.6543 | |
| 95 | T | A | -1.8045 | |
| 96 | G | A | -1.5008 | |
| 97 | G | A | -1.3497 | |
| 98 | H | A | -1.5805 | |
| 99 | S | A | -1.3890 | |
| 100 | T | A | -1.8133 | |
| 101 | V | A | -2.0547 | |
| 102 | D | A | -2.6221 | |
| 103 | N | A | 0.0000 | |
| 104 | S | A | -1.6246 | |
| 105 | R | A | -1.6787 | |
| 106 | L | A | -0.8321 | |
| 107 | W | A | 0.0000 | |
| 108 | Q | A | -1.7677 | |
| 109 | A | A | -1.2713 | |
| 110 | G | A | -1.3254 | |
| 111 | K | A | -1.3717 | |
| 112 | E | A | 0.0000 | |
| 113 | H | A | 0.0000 | |
| 114 | I | A | 0.0000 | |
| 115 | F | A | 0.0000 | |
| 116 | H | A | -1.1659 | |
| 117 | Y | A | 0.0000 | |
| 118 | T | A | -0.3815 | |
| 119 | G | A | 0.0000 | |
| 120 | R | A | -0.0705 | |
| 121 | L | A | 0.4283 | |
| 122 | L | A | 0.0000 | |
| 123 | S | A | 0.0000 | |
| 124 | G | A | 0.0000 | |
| 125 | I | A | -0.3968 | |
| 126 | P | A | -0.5379 | |
| 127 | G | A | -0.7987 | |
| 128 | L | A | -0.2949 | |
| 129 | R | A | -1.2464 | |
| 130 | P | A | -0.6901 | |
| 131 | H | A | 0.0000 | |
| 132 | F | A | 0.0000 | |
| 133 | S | A | 0.0000 | |
| 134 | G | A | -0.6949 | |
| 135 | I | A | -0.1090 | |
| 136 | G | A | 0.0000 | |
| 137 | I | A | -0.1020 | |
| 138 | E | A | -0.9033 | |
| 139 | T | A | 0.0000 | |
| 140 | E | A | -1.5825 | |
| 141 | V | A | 0.0000 | |
| 142 | H | A | -0.3814 | |
| 143 | L | A | 0.0000 | |
| 144 | Q | A | 0.0000 | |
| 145 | V | A | 0.0000 | |
| 146 | K | A | -1.7428 | |
| 147 | S | A | -1.2153 | |
| 148 | L | A | -1.0745 | |
| 149 | E | A | -1.9278 | |
| 150 | D | A | -1.1703 | |
| 151 | I | A | 0.0000 | |
| 152 | R | A | 0.0000 | |
| 153 | L | A | 0.0000 | |
| 154 | N | A | 0.0000 | |
| 155 | L | A | 0.0000 | |
| 156 | R | A | -2.2834 | |
| 157 | Q | A | -2.4300 | |
| 158 | V | A | 0.0000 | |
| 159 | N | A | -1.3926 | |
| 160 | Y | A | -0.5727 | |
| 161 | T | A | 0.0000 | |
| 162 | Q | A | -1.2755 | |
| 163 | V | A | 0.0000 | |
| 164 | N | A | -2.2273 | |
| 165 | G | A | -1.5283 | |
| 166 | P | A | -0.9127 | |
| 167 | L | A | -0.1206 | |
| 168 | S | A | 0.1491 | |
| 169 | P | A | 0.0877 | |
| 170 | G | A | 0.2476 | |
| 171 | L | A | 0.0274 | |
| 172 | P | A | -0.6945 | |
| 173 | H | A | -0.9867 | |
| 174 | V | A | -0.2881 | |
| 175 | T | A | -0.2793 | |
| 176 | S | A | -0.2359 | |
| 177 | S | A | -0.0660 | |
| 178 | Y | A | 0.6070 | |
| 179 | E | A | -0.5143 | |
| 180 | G | A | 0.0000 | |
| 181 | S | A | -0.1770 | |
| 182 | N | A | -0.2817 | |
| 183 | W | A | 0.0000 | |
| 184 | R | A | -0.3278 | |
| 185 | Y | A | 0.2592 | |
| 186 | V | A | 0.0000 | |
| 187 | L | A | 1.3656 | |
| 188 | L | A | 0.5238 | |
| 189 | P | A | -0.3641 | |
| 190 | Q | A | -0.9102 | |
| 191 | F | A | -0.5954 | |
| 192 | T | A | -0.9498 | |
| 193 | Q | A | -1.2244 | |
| 194 | A | A | 0.0000 | |
| 195 | P | A | -0.2699 | |
| 196 | I | A | 0.4636 | |
| 197 | D | A | -1.4612 | |
| 198 | I | A | -0.8649 | |
| 199 | K | A | -1.7328 | |
| 200 | K | A | -2.1526 | |
| 201 | L | A | -1.2682 | |
| 202 | L | A | 0.0000 | |
| 203 | K | A | -2.3958 | |
| 204 | V | A | -1.0718 | |
| 205 | P | A | 0.0000 | |
| 206 | I | A | 0.0000 | |
| 207 | T | A | 0.0000 | |
| 208 | F | A | 0.0000 | |
| 209 | A | A | 0.0000 | |
| 210 | I | A | 0.0000 | |
| 211 | H | A | -2.0195 | |
| 212 | D | A | -2.8271 | |
| 213 | G | A | 0.0000 | |
| 214 | E | A | -1.3272 | |
| 215 | I | A | 0.0000 | |
| 216 | K | A | -2.5791 | |
| 217 | T | A | -2.0576 | |
| 218 | I | A | 0.0000 | |
| 219 | T | A | -1.1482 | |
| 220 | V | A | 0.0000 | |
| 221 | S | A | 0.0000 | |
| 222 | G | A | -1.6177 | |
| 223 | T | A | -1.0604 | |
| 224 | E | A | -0.9019 | |
| 225 | Q | A | -0.7238 | |
| 226 | K | A | 0.0446 | |
| 227 | W | A | 0.6690 | |
| 228 | S | A | 0.0000 | |
| 229 | L | A | 0.0000 | |
| 230 | N | A | 0.1322 | |
| 231 | F | A | 0.3533 | |
| 232 | K | A | 0.0000 | |
| 233 | K | A | 0.0000 | |
| 234 | A | A | 0.0000 | |
| 235 | L | A | 0.0000 | |
| 236 | V | A | 0.0000 | |
| 237 | A | A | 0.0283 | |
| 238 | L | A | 0.0000 | |
| 239 | F | A | 0.0000 | |
| 240 | Q | A | 0.0000 | |
| 241 | T | A | 0.0000 | |
| 242 | K | A | -1.1683 | |
| 243 | M | A | 0.0000 | |
| 244 | E | A | -2.2059 | |
| 245 | T | A | -1.3806 | |
| 246 | S | A | -1.2858 | |
| 247 | T | A | -1.1047 | |
| 248 | L | A | -1.7333 | |
| 249 | D | A | -2.9271 | |
| 250 | N | A | -2.9905 | |
| 251 | K | A | -2.6066 | |
| 252 | M | A | -0.8091 | |
| 253 | N | A | -0.6755 | |
| 254 | T | A | -0.0021 | |
| 255 | I | A | 1.8643 | |
| 256 | V | A | 0.6227 | |
| 257 | K | A | -1.5272 | |
| 258 | D | A | -2.5240 | |
| 259 | S | A | -2.1712 | |
| 260 | D | A | -2.6922 | |
| 261 | S | A | -1.8562 | |
| 262 | T | A | -1.6192 | |
| 263 | K | A | -1.9456 | |
| 264 | N | A | -1.3186 | |
| 265 | Y | A | -0.6944 | |
| 266 | W | A | 0.0000 | |
| 267 | K | A | -1.5630 | |
| 268 | V | A | -0.9088 | |
| 269 | S | A | -0.8598 | |
| 270 | E | A | 0.0000 | |
| 271 | E | A | -0.9715 | |
| 272 | T | A | 0.0000 | |
| 273 | I | A | 0.1528 | |
| 274 | E | A | -0.1025 | |
| 275 | G | A | 0.0000 | |
| 276 | V | A | -0.4840 | |
| 277 | C | A | 0.0000 | |
| 278 | D | A | -1.5532 | |
| 279 | V | A | 0.0000 | |
| 280 | I | A | -0.7423 | |
| 281 | Y | A | 0.0000 | |
| 282 | Q | A | -0.9946 | |
| 283 | V | A | 0.0000 | |
| 284 | N | A | -1.5098 | |
| 285 | E | A | -2.4148 | |
| 286 | L | A | 0.0000 | |
| 287 | P | A | -1.4873 | |
| 288 | E | A | -2.5980 | |
| 289 | Y | A | -0.5847 | |
| 290 | I | A | -1.0553 | |
| 291 | V | A | 0.0000 | |
| 292 | K | A | -2.8845 | |
| 293 | E | A | -3.0484 | |
| 294 | R | A | -2.6104 | |
| 295 | A | A | -2.0178 | |
| 296 | H | A | -1.8269 | |
| 297 | Y | A | -1.1079 | |
| 298 | F | A | 0.0000 | |
| 299 | P | A | -1.0717 | |
| 300 | H | A | -1.0863 | |
| 301 | L | A | -1.1822 | |
| 302 | E | A | -1.9328 | |
| 303 | A | A | -0.9797 | |
| 304 | C | A | 0.0000 | |
| 305 | T | A | -1.1652 | |
| 306 | S | A | -1.2653 | |
| 307 | K | A | -2.7907 | |
| 308 | K | A | -2.6073 | |
| 309 | F | A | 0.0000 | |
| 310 | Y | A | 0.0000 | |
| 311 | E | A | -0.9550 | |
| 312 | I | A | 0.0000 | |
| 313 | T | A | -0.3146 | |
| 314 | K | A | 0.0000 | |
| 315 | T | A | -0.6331 | |
| 316 | K | A | -1.0419 | |
| 317 | N | A | -1.6579 | |
| 318 | I | A | 0.0000 | |
| 319 | D | A | -1.6295 | |
| 320 | S | A | -1.5502 | |
| 321 | C | A | 0.0000 | |
| 322 | K | A | -2.1748 | |
| 323 | K | A | -2.1756 | |
| 324 | S | A | -0.6519 | |
| 325 | A | A | 0.1945 | |
| 326 | V | A | 0.8144 | |
| 327 | Y | A | 0.5960 | |
| 328 | T | A | 0.2640 | |
| 329 | F | A | 0.5732 | |
| 330 | M | A | 0.1289 | |
| 331 | K | A | -0.4222 | |
| 332 | P | A | 0.2143 | |
| 333 | A | A | 0.0767 | |
| 334 | V | A | -0.2947 | |
| 335 | K | A | -1.9953 | |
| 336 | A | A | 0.0000 | |
| 337 | K | A | -3.1546 | |
| 338 | K | A | -2.7740 | |
| 339 | C | A | -1.8427 | |
| 340 | N | A | -2.3359 | |
| 341 | S | A | -1.7828 | |
| 342 | F | A | -1.0469 | |
| 343 | K | A | -1.7510 | |
| 344 | C | A | -0.5624 | |
| 345 | L | A | -0.2145 | |
| 346 | S | A | -0.6911 | |
| 347 | N | A | -1.3382 | |
| 348 | T | A | -0.7122 | |
| 349 | F | A | -0.1238 | |
| 350 | G | A | -0.6009 | |
| 351 | S | A | -0.6163 | |
| 352 | A | A | -0.3409 | |
| 353 | S | A | -0.4261 | |
| 354 | S | A | -0.3774 | |
| 355 | M | A | -0.1785 | |
| 356 | T | A | 0.0000 | |
| 357 | R | A | -0.3610 | |
| 358 | Y | A | 0.0000 | |
| 359 | Y | A | 0.0000 | |
| 360 | A | A | 0.0000 | |
| 361 | C | A | 0.0000 | |
| 362 | G | A | 0.0000 | |
| 363 | P | A | -1.3043 | |
| 364 | R | A | -1.1856 | |
| 365 | S | A | -1.4226 | |
| 366 | N | A | -1.9044 | |
| 367 | W | A | 0.0000 | |
| 368 | I | A | 0.1132 | |
| 369 | L | A | 0.0963 | |
| 370 | Q | A | 0.0000 | |
| 371 | T | A | 0.0000 | |
| 372 | I | A | 0.0000 | |
| 373 | V | A | 0.0000 | |
| 374 | N | A | -0.3164 | |
| 375 | E | A | -0.5631 | |
| 376 | G | A | 0.0000 | |
| 377 | E | A | -0.0675 | |
| 378 | I | A | 0.6175 | |
| 379 | V | A | 0.1026 | |
| 380 | Q | A | -0.9253 | |
| 381 | R | A | -2.1023 | |
| 382 | P | A | -0.8835 | |
| 383 | V | A | -0.7704 | |
| 384 | G | A | -0.5977 | |
| 385 | V | A | -0.0914 | |
| 386 | K | A | -1.7515 | |
| 387 | S | A | -1.8660 | |
| 388 | E | A | -2.4581 | |
| 389 | T | A | -1.5271 | |
| 390 | I | A | 0.0000 | |
| 391 | T | A | -0.3139 | |
| 392 | T | A | 0.3149 | |
| 393 | G | A | 0.0000 | |
| 394 | T | A | -0.1001 | |
| 395 | R | A | -0.4586 | |
| 396 | Q | A | -0.3070 | |
| 397 | V | A | -0.2325 | |
| 398 | L | A | 0.0000 | |
| 399 | K | A | -1.1551 | |
| 400 | L | A | 0.0000 | |
| 401 | R | A | -2.0328 | |
| 402 | T | A | -0.8046 | |
| 403 | I | A | -0.1093 | |
| 404 | Q | A | -0.5809 | |
| 405 | P | A | -0.7098 | |
| 406 | I | A | -0.8008 | |
| 407 | S | A | -0.8246 | |
| 408 | S | A | -1.1535 | |
| 409 | E | A | -2.1972 | |
| 410 | V | A | 0.0000 | |
| 411 | P | A | -1.2788 | |
| 412 | K | A | -1.6590 | |
| 413 | P | A | 0.0000 | |
| 414 | P | A | -1.4125 | |
| 415 | Q | A | -2.0409 | |
| 416 | P | A | -1.8773 | |
| 417 | R | A | -1.8465 | |
| 418 | T | A | -1.3340 | |
| 419 | T | A | -1.8005 | |
| 420 | E | A | -2.8522 | |
| 421 | K | A | -2.2807 | |
| 422 | I | A | 0.0000 | |
| 423 | M | A | -0.3822 | |
| 424 | Y | A | 0.7514 | |
| 425 | E | A | 0.5221 | |
| 426 | Y | A | 1.3714 | |
| 427 | I | A | 1.6465 | |
| 428 | N | A | 0.0719 | |
| 429 | A | A | -0.2122 | |
| 430 | G | A | -0.9903 | |
| 431 | Q | A | -1.6794 | |
| 432 | V | A | 0.0000 | |
| 433 | S | A | -2.0036 | |
| 434 | R | A | -2.6082 | |
| 435 | Q | A | -1.9468 | |
| 436 | Q | A | -1.6538 | |
| 437 | I | A | 0.1025 | |
| 438 | G | A | 0.2512 | |
| 439 | I | A | 1.5143 | |
| 440 | I | A | 0.8322 | |
| 441 | P | A | -0.2789 | |
| 442 | K | A | -1.5809 | |
| 443 | I | A | 0.0000 | |
| 444 | P | A | -1.5948 | |
| 445 | Q | A | -2.2631 | |
| 446 | S | A | -1.6454 | |
| 447 | E | A | -1.6669 | |
| 448 | L | A | 0.0000 | |
| 449 | K | A | -2.7118 | |
| 450 | S | A | -1.4780 | |
| 451 | G | A | -1.2469 | |
| 452 | E | A | -1.0055 | |
| 453 | I | A | 0.0000 | |
| 454 | Y | A | -0.4707 | |
| 455 | K | A | -0.9471 | |
| 456 | Y | A | -0.4914 | |
| 457 | L | A | 0.0000 | |
| 458 | P | A | -0.7857 | |
| 459 | R | A | -2.5038 | |
| 460 | H | A | -1.5670 | |
| 461 | F | A | -1.0554 | |
| 462 | N | A | -1.7277 | |
| 463 | P | A | -0.9214 | |
| 464 | A | A | -0.3192 | |
| 465 | P | A | -0.9398 | |
| 466 | S | A | -0.8893 | |
| 467 | S | A | -0.9588 | |
| 468 | T | A | -1.3985 | |
| 469 | E | A | -2.6559 | |
| 470 | S | A | -2.4275 | |
| 471 | K | A | -3.1445 | |
| 472 | Q | A | -2.7597 | |
| 473 | H | A | -2.1142 | |
| 474 | L | A | -1.1266 | |
| 475 | S | A | -0.7500 | |
| 476 | A | A | -0.7724 | |
| 477 | T | A | -0.9129 | |
| 478 | K | A | -1.6641 | |
| 479 | I | A | 0.0000 | |
| 480 | K | A | -1.2819 | |
| 481 | A | A | -1.2770 | |
| 482 | E | A | -1.4564 | |
| 483 | L | A | 0.0000 | |
| 484 | K | A | -0.9737 | |
| 485 | S | A | -0.4596 | |
| 486 | Y | A | -0.1025 | |
| 487 | I | A | 0.0000 | |
| 488 | I | A | -0.1780 | |
| 489 | S | A | -0.5660 | |
| 490 | I | A | 0.0000 | |
| 491 | I | A | 0.0000 | |
| 492 | D | A | -1.8546 | |
| 493 | D | A | -1.6049 | |
| 494 | L | A | -0.7058 | |
| 495 | S | A | -1.2540 | |
| 496 | S | A | -1.0146 | |
| 497 | V | A | -0.7300 | |
| 498 | E | A | -2.2939 | |
| 499 | E | A | -2.5454 | |
| 500 | L | A | 0.0000 | |
| 501 | A | A | -1.6829 | |
| 502 | Q | A | -2.4829 | |
| 503 | K | A | -2.0103 | |
| 504 | E | A | -2.1226 | |
| 505 | I | A | 0.0000 | |
| 506 | P | A | -0.3545 | |
| 507 | L | A | 0.3223 | |
| 508 | R | A | -0.1727 | |
| 509 | L | A | 0.1320 | |
| 510 | T | A | 0.2797 | |
| 511 | T | A | 0.1339 | |
| 512 | F | A | 0.0000 | |
| 513 | I | A | 0.0000 | |
| 514 | R | A | 0.0000 | |
| 515 | G | A | -0.2317 | |
| 516 | M | A | 0.0000 | |
| 517 | T | A | 0.1704 | |
| 518 | L | A | -0.1260 | |
| 519 | L | A | 0.0000 | |
| 520 | K | A | -1.3633 | |
| 521 | V | A | -1.3443 | |
| 522 | E | A | -2.3218 | |
| 523 | D | A | -1.6963 | |
| 524 | I | A | 0.0000 | |
| 525 | K | A | -1.6780 | |
| 526 | S | A | -1.4470 | |
| 527 | L | A | 0.0000 | |
| 528 | Y | A | 0.0000 | |
| 529 | T | A | -0.9896 | |
| 530 | D | A | -1.3507 | |
| 531 | L | A | 0.0000 | |
| 532 | K | A | -0.7195 | |
| 533 | S | A | -0.6477 | |
| 534 | T | A | -0.4506 | |
| 535 | V | A | 0.0000 | |
| 536 | Y | A | -0.0670 | |
| 537 | S | A | -0.2287 | |
| 538 | P | A | -0.4348 | |
| 539 | A | A | -0.4138 | |
| 540 | H | A | -1.1601 | |
| 541 | S | A | -1.2635 | |
| 542 | N | A | -2.1004 | |
| 543 | Q | A | -2.4920 | |
| 544 | E | A | -2.8025 | |
| 545 | K | A | -2.0592 | |
| 546 | I | A | 0.0000 | |
| 547 | S | A | -1.3022 | |
| 548 | M | A | -1.0608 | |
| 549 | F | A | 0.0000 | |
| 550 | H | A | -0.6958 | |
| 551 | N | A | -0.5098 | |
| 552 | I | A | 0.0000 | |
| 553 | F | A | 0.0000 | |
| 554 | F | A | 0.0000 | |
| 555 | D | A | -0.1927 | |
| 556 | A | A | 0.0000 | |
| 557 | V | A | 0.0000 | |
| 558 | M | A | 0.0000 | |
| 559 | V | A | 0.0648 | |
| 560 | S | A | 0.0000 | |
| 561 | G | A | 0.0000 | |
| 562 | T | A | 0.0000 | |
| 563 | T | A | 0.0000 | |
| 564 | P | A | 0.0000 | |
| 565 | A | A | 0.0000 | |
| 566 | V | A | 0.0000 | |
| 567 | L | A | -0.4052 | |
| 568 | F | A | 0.0000 | |
| 569 | L | A | 0.0000 | |
| 570 | K | A | -0.9215 | |
| 571 | D | A | -1.7474 | |
| 572 | M | A | -1.4182 | |
| 573 | I | A | 0.0000 | |
| 574 | K | A | -2.3351 | |
| 575 | S | A | -1.8445 | |
| 576 | K | A | -2.4105 | |
| 577 | E | A | -1.6759 | |
| 578 | I | A | 0.0000 | |
| 579 | P | A | -0.2522 | |
| 580 | T | A | 0.4795 | |
| 581 | Y | A | 1.5753 | |
| 582 | Q | A | 0.0000 | |
| 583 | A | A | 0.0000 | |
| 584 | T | A | 1.0286 | |
| 585 | Y | A | 0.9034 | |
| 586 | L | A | 0.0000 | |
| 587 | L | A | 0.0000 | |
| 588 | M | A | 0.6257 | |
| 589 | L | A | 0.2940 | |
| 590 | L | A | 0.0000 | |
| 591 | P | A | 0.0000 | |
| 592 | H | A | -0.9706 | |
| 593 | H | A | -0.4869 | |
| 594 | I | A | 0.0000 | |
| 595 | I | A | 0.0066 | |
| 596 | T | A | 0.0000 | |
| 597 | P | A | 0.0000 | |
| 598 | T | A | 0.0000 | |
| 599 | K | A | -1.9445 | |
| 600 | E | A | -1.7907 | |
| 601 | V | A | 0.0000 | |
| 602 | F | A | 0.0000 | |
| 603 | T | A | -0.9109 | |
| 604 | S | A | 0.0000 | |
| 605 | L | A | 0.0000 | |
| 606 | L | A | -0.6865 | |
| 607 | E | A | -1.4886 | |
| 608 | I | A | 0.0000 | |
| 609 | I | A | 0.0000 | |
| 610 | Q | A | -1.1953 | |
| 611 | S | A | 0.0000 | |
| 612 | E | A | -1.8738 | |
| 613 | I | A | -1.1418 | |
| 614 | V | A | 0.0000 | |
| 615 | I | A | 0.2590 | |
| 616 | S | A | -0.0873 | |
| 617 | N | A | 0.2282 | |
| 618 | T | A | 0.6108 | |
| 619 | I | A | 1.8836 | |
| 620 | L | A | 0.0000 | |
| 621 | Y | A | 0.0000 | |
| 622 | N | A | 0.5209 | |
| 623 | T | A | 0.8330 | |
| 624 | A | A | 0.0000 | |
| 625 | I | A | 0.0000 | |
| 626 | L | A | 0.4428 | |
| 627 | S | A | 0.0000 | |
| 628 | M | A | 0.0000 | |
| 629 | S | A | 0.0000 | |
| 630 | N | A | -0.9193 | |
| 631 | L | A | 0.0000 | |
| 632 | V | A | 0.0000 | |
| 633 | E | A | -1.3189 | |
| 634 | K | A | -1.4816 | |
| 635 | T | A | 0.0000 | |
| 636 | C | A | 0.0000 | |
| 637 | L | A | 0.0000 | |
| 638 | D | A | -2.0153 | |
| 639 | K | A | -2.0947 | |
| 640 | S | A | -1.1092 | |
| 641 | R | A | -1.4766 | |
| 642 | Q | A | -1.1448 | |
| 643 | V | A | 0.1401 | |
| 644 | S | A | -0.6368 | |
| 645 | Y | A | 0.0000 | |
| 646 | P | A | 0.0000 | |
| 647 | T | A | 0.0000 | |
| 648 | A | A | -0.4610 | |
| 649 | V | A | -0.1548 | |
| 650 | F | A | 0.0000 | |
| 651 | G | A | -1.3934 | |
| 652 | Q | A | -1.6322 | |
| 653 | F | A | -0.7530 | |
| 654 | C | A | 0.0000 | |
| 655 | D | A | -1.6895 | |
| 656 | A | A | -1.5041 | |
| 657 | Q | A | -2.1346 | |
| 658 | S | A | -2.0973 | |
| 659 | E | A | -3.1699 | |
| 660 | I | A | 0.0000 | |
| 661 | V | A | 0.0000 | |
| 662 | T | A | -2.3125 | |
| 663 | E | A | -2.9864 | |
| 664 | K | A | -1.9989 | |
| 665 | W | A | 0.0000 | |
| 666 | I | A | 0.0000 | |
| 667 | P | A | -1.2643 | |
| 668 | Y | A | -0.9100 | |
| 669 | L | A | 0.0000 | |
| 670 | T | A | -1.2315 | |
| 671 | K | A | -2.0400 | |
| 672 | A | A | -1.2032 | |
| 673 | V | A | 0.0000 | |
| 674 | Q | A | -1.7000 | |
| 675 | T | A | -1.3325 | |
| 676 | A | A | -1.2192 | |
| 677 | P | A | -0.9441 | |
| 678 | T | A | -0.9749 | |
| 679 | A | A | -0.9625 | |
| 680 | D | A | -1.6833 | |
| 681 | R | A | 0.0000 | |
| 682 | R | A | 0.0000 | |
| 683 | N | A | -0.4650 | |
| 684 | A | A | -0.1556 | |
| 685 | I | A | 0.0000 | |
| 686 | I | A | 0.0000 | |
| 687 | M | A | 0.4970 | |
| 688 | A | A | 0.0000 | |
| 689 | L | A | 0.0000 | |
| 690 | G | A | 0.0000 | |
| 691 | A | A | -0.2460 | |
| 692 | L | A | 0.0000 | |
| 693 | K | A | -0.8209 | |
| 694 | H | A | 0.0000 | |
| 695 | K | A | -1.4268 | |
| 696 | D | A | -1.6486 | |
| 697 | I | A | 0.0000 | |
| 698 | I | A | 0.0000 | |
| 699 | P | A | -0.5713 | |
| 700 | A | A | 0.0000 | |
| 701 | L | A | 0.0000 | |
| 702 | L | A | -0.3672 | |
| 703 | P | A | -1.0624 | |
| 704 | L | A | 0.0000 | |
| 705 | V | A | 0.0000 | |
| 706 | E | A | -2.2046 | |
| 707 | G | A | -1.6167 | |
| 708 | H | A | -1.4568 | |
| 709 | G | A | 0.0000 | |
| 710 | P | A | -0.8785 | |
| 711 | I | A | -0.3092 | |
| 712 | E | A | -1.8381 | |
| 713 | Q | A | -1.9147 | |
| 714 | G | A | -1.2894 | |
| 715 | S | A | -0.6855 | |
| 716 | G | A | -0.1621 | |
| 717 | V | A | 1.1770 | |
| 718 | A | A | 0.4302 | |
| 719 | F | A | 0.0000 | |
| 720 | P | A | 0.2590 | |
| 721 | N | A | -0.8317 | |
| 722 | I | A | 0.8945 | |
| 723 | S | A | 0.0000 | |
| 724 | R | A | -0.6767 | |
| 725 | T | A | 0.0000 | |
| 726 | L | A | 0.6337 | |
| 727 | S | A | 0.0000 | |
| 728 | I | A | 0.0000 | |
| 729 | Y | A | 0.4043 | |
| 730 | A | A | 0.0000 | |
| 731 | I | A | 0.0000 | |
| 732 | G | A | 0.0000 | |
| 733 | N | A | -0.4040 | |
| 734 | V | A | 0.0000 | |
| 735 | R | A | -0.8653 | |
| 736 | V | A | -0.0082 | |
| 737 | H | A | -0.8110 | |
| 738 | H | A | -0.9140 | |
| 739 | P | A | -1.0661 | |
| 740 | E | A | -1.7053 | |
| 741 | L | A | -0.4529 | |
| 742 | V | A | 0.0000 | |
| 743 | L | A | -0.2468 | |
| 744 | P | A | -0.1793 | |
| 745 | I | A | 0.1952 | |
| 746 | I | A | 0.0000 | |
| 747 | L | A | -0.0722 | |
| 748 | S | A | -0.3435 | |
| 749 | V | A | 0.0000 | |
| 750 | Y | A | 0.0000 | |
| 751 | S | A | -0.6529 | |
| 752 | N | A | -1.0354 | |
| 753 | P | A | -1.1866 | |
| 754 | A | A | -0.5939 | |
| 755 | E | A | -1.2713 | |
| 756 | N | A | -1.4879 | |
| 757 | T | A | -1.3370 | |
| 758 | Q | A | -1.3853 | |
| 759 | L | A | 0.0000 | |
| 760 | R | A | 0.0000 | |
| 761 | I | A | 0.0000 | |
| 762 | A | A | 0.0000 | |
| 763 | A | A | 0.0000 | |
| 764 | F | A | 0.0000 | |
| 765 | N | A | -1.2556 | |
| 766 | M | A | 0.0000 | |
| 767 | L | A | 0.0000 | |
| 768 | V | A | -0.9301 | |
| 769 | N | A | -1.7417 | |
| 770 | M | A | -0.7632 | |
| 771 | N | A | -0.9509 | |
| 772 | P | A | 0.0000 | |
| 773 | P | A | -0.4778 | |
| 774 | M | A | -0.5410 | |
| 775 | N | A | -1.5313 | |
| 776 | I | A | -0.8536 | |
| 777 | I | A | 0.0000 | |
| 778 | Q | A | -0.9571 | |
| 779 | K | A | -1.3696 | |
| 780 | I | A | 0.0000 | |
| 781 | A | A | 0.0000 | |
| 782 | A | A | 0.0192 | |
| 783 | M | A | -0.1290 | |
| 784 | T | A | 0.0000 | |
| 785 | W | A | 0.5532 | |
| 786 | S | A | -0.2294 | |
| 787 | E | A | -1.1350 | |
| 788 | K | A | -1.9790 | |
| 789 | N | A | -1.7747 | |
| 790 | T | A | -1.6456 | |
| 791 | E | A | -2.2677 | |
| 792 | V | A | 0.0000 | |
| 793 | L | A | -1.5982 | |
| 794 | K | A | -2.1336 | |
| 795 | K | A | -1.7443 | |
| 796 | T | A | 0.0000 | |
| 797 | Y | A | 0.0000 | |
| 798 | T | A | -0.6489 | |
| 799 | G | A | -0.4582 | |
| 800 | F | A | 0.0000 | |
| 801 | Y | A | -0.4774 | |
| 802 | T | A | -0.4903 | |
| 803 | L | A | -0.6740 | |
| 804 | S | A | -0.6672 | |
| 805 | R | A | -1.9135 | |
| 806 | S | A | -1.3148 | |
| 807 | V | A | -1.3193 | |
| 808 | D | A | -1.4031 | |
| 809 | I | A | 0.4303 | |
| 810 | S | A | -0.2581 | |
| 811 | N | A | -1.2043 | |
| 812 | L | A | -0.0527 | |
| 813 | E | A | -1.7108 | |
| 814 | D | A | -1.8341 | |
| 815 | T | A | -1.2314 | |
| 816 | S | A | -1.2930 | |
| 817 | P | A | -1.4906 | |
| 818 | E | A | -2.2796 | |
| 819 | S | A | 0.0000 | |
| 820 | T | A | -0.9343 | |
| 821 | L | A | 0.0000 | |
| 822 | A | A | 0.0000 | |
| 823 | K | A | -0.2435 | |
| 824 | K | A | -0.4036 | |
| 825 | T | A | 0.0000 | |
| 826 | Q | A | 0.4076 | |
| 827 | L | A | 1.3510 | |
| 828 | V | A | 0.0000 | |
| 829 | V | A | 0.3440 | |
| 830 | P | A | 0.2661 | |
| 831 | L | A | 0.8175 | |
| 832 | M | A | 0.0000 | |
| 833 | R | A | -1.0368 | |
| 834 | K | A | -1.8944 | |
| 835 | T | A | -1.5894 | |
| 836 | S | A | -0.8255 | |
| 837 | G | A | -0.4119 | |
| 838 | V | A | 0.1319 | |
| 839 | L | A | 0.8231 | |
| 840 | Q | A | -0.7299 | |
| 841 | G | A | -0.6913 | |
| 842 | G | A | -0.7240 | |
| 843 | S | A | -0.6276 | |
| 844 | G | A | -0.6541 | |
| 845 | V | A | 0.0567 | |
| 846 | E | A | -2.0939 | |
| 847 | H | A | -2.3691 | |
| 848 | H | A | -2.7473 | |
| 849 | H | A | -2.9874 | |
| 850 | H | A | -2.7160 | |
| 851 | H | A | -2.4083 | |
| 852 | H | A | -1.9146 |
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 | -0.7737 | 3.111 | View | CSV | PDB |
| 4.5 | -0.8386 | 3.0963 | View | CSV | PDB |
| 5.0 | -0.9157 | 3.0799 | View | CSV | PDB |
| 5.5 | -0.9876 | 3.0667 | View | CSV | PDB |
| 6.0 | -1.0354 | 3.0894 | View | CSV | PDB |
| 6.5 | -1.0477 | 3.21 | View | CSV | PDB |
| 7.0 | -1.0276 | 3.3486 | View | CSV | PDB |
| 7.5 | -0.9875 | 3.4943 | View | CSV | PDB |
| 8.0 | -0.937 | 3.6422 | View | CSV | PDB |
| 8.5 | -0.8793 | 3.7894 | View | CSV | PDB |
| 9.0 | -0.815 | 3.9328 | 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