| Chain sequence(s) |
A: MSDQEAKPSTEDLGDKKEGEYIKLKVIGQDSSEIHFKVKMTTHLKKLKESYCQRQGVPMNSLRFLFEGQRIADNHTPKELGMEEEDVIEVYQEQTGGHSTVDNSRLWQAGKEHIFHYTGRLLSGIPGLRPHFSGIGIETEVHLQVKSLEDIRLNLRQVNYTQVNGPLSPGLPHVTSSYEGSNWRYVLLPQFTQAPIDIKKLLKVPITFAIHDGEIKTITVSGTEQKWSLNFKKALVALFQTKMETSTLDLEMNTIVKDSDSTKNYWKVSEETIEGVCDVIYQVNELPEYIVKERAHYFPHLEACTSKKFYEITKTKEIDSCKKSAVYTFMKPAVKAKSCNRFKCLSRTFGSASSMTRYYACGPRSNWILQTIVNEGEIVQRPVGVKSETITTGTRQVLKLRTIQPISSEVPKPPQPRTTEKIMYEYINAGQVSRQQIGIIPKIPQSELKSGEIYKYLPRHFNPAPSSTESKQHLSATKIKAELKSYIISIIDDLSSVEELAQKEIPLRLTTFIRGMTLLKVEDIKSLYTDLKSTVYSPAHSNQEKISMFHNIFFDAVMVSGTTPAVLFLKDMIKSKEIPTYQATYLLMLLPHHIITPTKEVFTSLLEIIQSEIVISNTILYNTAILSMSNLVEKTCLDKSRQVSYPTAVFGQFCDAQSEIVTEKWIPYLTKAVQTAPTADRRNAIIMALGALKHKDIIPALLPLVEGHGPIEQGSGVAFPNISRTLSIYAIGNVRVHHPELVLPIILSVYSNPAENTQLRIAAFNMLVNMNPPMNIIQKIAAMTWSEKNTEVLKKTYTGFYTLSRSVDISNLEDTSPESTLAKKTQLVVPLMRKTSGVLQGGSGVEHHHHHH
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. (00:00:09)
[INFO] FoldX: Starting FoldX energy minimization (00:00:09)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:33:24)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/3a534648f34e7a6/tmp/folded.pdb (00:33:24)
[INFO] Main: Simulation completed successfully. (00:50:56)
|
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 | 0.2991 | |
| 2 | S | A | -1.1697 | |
| 3 | D | A | -2.7247 | |
| 4 | Q | A | -3.1080 | |
| 5 | E | A | -3.4561 | |
| 6 | A | A | -2.3619 | |
| 7 | K | A | -2.5471 | |
| 8 | P | A | -1.7088 | |
| 9 | S | A | -1.6148 | |
| 10 | T | A | -1.6310 | |
| 11 | E | A | -2.4483 | |
| 12 | D | A | -2.4013 | |
| 13 | L | A | -0.8763 | |
| 14 | G | A | -2.2005 | |
| 15 | D | A | -3.4997 | |
| 16 | K | A | -3.8965 | |
| 17 | K | A | -4.3771 | |
| 18 | E | A | -4.0137 | |
| 19 | G | A | -2.6703 | |
| 20 | E | A | -2.9298 | |
| 21 | Y | A | -1.6432 | |
| 22 | I | A | 0.0000 | |
| 23 | K | A | -2.8188 | |
| 24 | L | A | 0.0000 | |
| 25 | K | A | -1.7947 | |
| 26 | V | A | 0.0000 | |
| 27 | I | A | -0.9260 | |
| 28 | G | A | 0.0000 | |
| 29 | Q | A | -2.4401 | |
| 30 | D | A | -2.5315 | |
| 31 | S | A | -1.7798 | |
| 32 | S | A | -1.4417 | |
| 33 | E | A | -1.6987 | |
| 34 | I | A | -0.8097 | |
| 35 | H | A | -1.6190 | |
| 36 | F | A | -1.5039 | |
| 37 | K | A | -2.5162 | |
| 38 | V | A | 0.0000 | |
| 39 | K | A | -1.8031 | |
| 40 | M | A | -2.0599 | |
| 41 | T | A | -1.3401 | |
| 42 | T | A | -1.3508 | |
| 43 | H | A | -2.5562 | |
| 44 | L | A | 0.0000 | |
| 45 | K | A | -3.0284 | |
| 46 | K | A | -3.2024 | |
| 47 | L | A | 0.0000 | |
| 48 | K | A | 0.0000 | |
| 49 | E | A | -3.4859 | |
| 50 | S | A | -2.5208 | |
| 51 | Y | A | 0.0000 | |
| 52 | C | A | 0.0000 | |
| 53 | Q | A | -2.8611 | |
| 54 | R | A | -3.0193 | |
| 55 | Q | A | -2.1446 | |
| 56 | G | A | -1.5849 | |
| 57 | V | A | -1.1804 | |
| 58 | P | A | -1.0047 | |
| 59 | M | A | -1.4373 | |
| 60 | N | A | -1.9069 | |
| 61 | S | A | 0.0000 | |
| 62 | L | A | 0.0000 | |
| 63 | R | A | -1.5832 | |
| 64 | F | A | 0.0000 | |
| 65 | L | A | -1.6754 | |
| 66 | F | A | 0.0000 | |
| 67 | E | A | -2.7857 | |
| 68 | G | A | -2.5046 | |
| 69 | Q | A | -2.7702 | |
| 70 | R | A | -2.5410 | |
| 71 | I | A | 0.0000 | |
| 72 | A | A | -1.6080 | |
| 73 | D | A | -2.5887 | |
| 74 | N | A | -2.5609 | |
| 75 | H | A | -2.2444 | |
| 76 | T | A | -2.1902 | |
| 77 | P | A | 0.0000 | |
| 78 | K | A | -3.3156 | |
| 79 | E | A | -2.9254 | |
| 80 | L | A | -2.0176 | |
| 81 | G | A | -2.2590 | |
| 82 | M | A | 0.0000 | |
| 83 | E | A | -3.4001 | |
| 84 | E | A | -3.8418 | |
| 85 | E | A | -3.6310 | |
| 86 | D | A | -2.6967 | |
| 87 | V | A | -1.3025 | |
| 88 | I | A | 0.0000 | |
| 89 | E | A | -1.7093 | |
| 90 | V | A | 0.0000 | |
| 91 | Y | A | -1.2529 | |
| 92 | Q | A | -1.9064 | |
| 93 | E | A | -1.8389 | |
| 94 | Q | A | -2.1893 | |
| 95 | T | A | -1.7740 | |
| 96 | G | A | -1.5423 | |
| 97 | G | A | -1.4726 | |
| 98 | H | A | -1.3914 | |
| 99 | S | A | -1.2994 | |
| 100 | T | A | -1.2510 | |
| 101 | V | A | -1.4591 | |
| 102 | D | A | -1.8603 | |
| 103 | N | A | 0.0000 | |
| 104 | S | A | -1.5662 | |
| 105 | R | A | -2.3039 | |
| 106 | L | A | 0.0000 | |
| 107 | W | A | 0.0000 | |
| 108 | Q | A | -1.3781 | |
| 109 | A | A | -1.1090 | |
| 110 | G | A | -1.1907 | |
| 111 | K | A | -1.1929 | |
| 112 | E | A | 0.0000 | |
| 113 | H | A | 0.0000 | |
| 114 | I | A | -0.6091 | |
| 115 | F | A | 0.0000 | |
| 116 | H | A | -1.2601 | |
| 117 | Y | A | 0.0000 | |
| 118 | T | A | -0.3908 | |
| 119 | G | A | 0.0000 | |
| 120 | R | A | 0.1557 | |
| 121 | L | A | 0.7102 | |
| 122 | L | A | 0.0000 | |
| 123 | S | A | 0.2352 | |
| 124 | G | A | -0.2957 | |
| 125 | I | A | -0.2492 | |
| 126 | P | A | -0.7092 | |
| 127 | G | A | -0.8616 | |
| 128 | L | A | -0.6949 | |
| 129 | R | A | -1.8278 | |
| 130 | P | A | -1.2828 | |
| 131 | H | A | -1.4317 | |
| 132 | F | A | 0.0000 | |
| 133 | S | A | -0.7841 | |
| 134 | G | A | -0.2400 | |
| 135 | I | A | 0.2699 | |
| 136 | G | A | 0.0000 | |
| 137 | I | A | 0.1140 | |
| 138 | E | A | -0.8490 | |
| 139 | T | A | 0.0000 | |
| 140 | E | A | -1.7362 | |
| 141 | V | A | 0.0000 | |
| 142 | H | A | 0.0000 | |
| 143 | L | A | 0.0000 | |
| 144 | Q | A | 0.0000 | |
| 145 | V | A | 0.0000 | |
| 146 | K | A | -1.9342 | |
| 147 | S | A | -1.3955 | |
| 148 | L | A | -1.3545 | |
| 149 | E | A | -2.2688 | |
| 150 | D | A | -1.5787 | |
| 151 | I | A | 0.0000 | |
| 152 | R | A | 0.0000 | |
| 153 | L | A | 0.0000 | |
| 154 | N | A | -0.9177 | |
| 155 | L | A | 0.0000 | |
| 156 | R | A | -2.7866 | |
| 157 | Q | A | -2.6088 | |
| 158 | V | A | 0.0000 | |
| 159 | N | A | -1.2525 | |
| 160 | Y | A | -0.5618 | |
| 161 | T | A | 0.0000 | |
| 162 | Q | A | -1.2263 | |
| 163 | V | A | 0.0000 | |
| 164 | N | A | -1.7337 | |
| 165 | G | A | -1.4030 | |
| 166 | P | A | -1.2690 | |
| 167 | L | A | 0.0000 | |
| 168 | S | A | 0.1759 | |
| 169 | P | A | 0.5677 | |
| 170 | G | A | 0.0000 | |
| 171 | L | A | 1.4558 | |
| 172 | P | A | 0.4290 | |
| 173 | H | A | -0.6079 | |
| 174 | V | A | -0.1015 | |
| 175 | T | A | 0.1151 | |
| 176 | S | A | 0.1857 | |
| 177 | S | A | 0.3982 | |
| 178 | Y | A | 0.7757 | |
| 179 | E | A | 0.0000 | |
| 180 | G | A | 0.0000 | |
| 181 | S | A | 0.1196 | |
| 182 | N | A | -0.0420 | |
| 183 | W | A | 0.0000 | |
| 184 | R | A | 0.0000 | |
| 185 | Y | A | 0.5900 | |
| 186 | V | A | 0.0000 | |
| 187 | L | A | 1.4261 | |
| 188 | L | A | 0.4443 | |
| 189 | P | A | -0.4870 | |
| 190 | Q | A | -1.0103 | |
| 191 | F | A | -0.6884 | |
| 192 | T | A | -0.9444 | |
| 193 | Q | A | -1.1361 | |
| 194 | A | A | 0.0000 | |
| 195 | P | A | -0.1683 | |
| 196 | I | A | 0.4814 | |
| 197 | D | A | -1.2559 | |
| 198 | I | A | -0.7628 | |
| 199 | K | A | -1.7599 | |
| 200 | K | A | -2.1180 | |
| 201 | L | A | -1.2451 | |
| 202 | L | A | 0.0000 | |
| 203 | K | A | -2.4030 | |
| 204 | V | A | -1.1877 | |
| 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 | -2.0571 | |
| 212 | D | A | -2.5533 | |
| 213 | G | A | 0.0000 | |
| 214 | E | A | -1.8073 | |
| 215 | I | A | 0.0000 | |
| 216 | K | A | -2.8830 | |
| 217 | T | A | -2.1882 | |
| 218 | I | A | 0.0000 | |
| 219 | T | A | -1.0882 | |
| 220 | V | A | 0.0000 | |
| 221 | S | A | 0.0000 | |
| 222 | G | A | -1.5348 | |
| 223 | T | A | -1.0626 | |
| 224 | E | A | -1.0837 | |
| 225 | Q | A | -1.0163 | |
| 226 | K | A | -0.2913 | |
| 227 | W | A | 0.4315 | |
| 228 | S | A | 0.0000 | |
| 229 | L | A | 0.0000 | |
| 230 | N | A | 0.0167 | |
| 231 | F | A | 0.3262 | |
| 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 | -0.0199 | |
| 238 | L | A | 0.0000 | |
| 239 | F | A | 0.0000 | |
| 240 | Q | A | 0.0000 | |
| 241 | T | A | 0.0000 | |
| 242 | K | A | -1.1915 | |
| 243 | M | A | 0.0000 | |
| 244 | E | A | -1.1372 | |
| 245 | T | A | -1.1910 | |
| 246 | S | A | -1.0008 | |
| 247 | T | A | 0.0000 | |
| 248 | L | A | 0.0000 | |
| 249 | D | A | -2.3420 | |
| 250 | L | A | 0.0000 | |
| 251 | E | A | -2.2496 | |
| 252 | M | A | -0.8422 | |
| 253 | N | A | -0.7522 | |
| 254 | T | A | -0.9844 | |
| 255 | I | A | 0.0000 | |
| 256 | V | A | -1.2327 | |
| 257 | K | A | -1.8968 | |
| 258 | D | A | -2.4833 | |
| 259 | S | A | -1.8385 | |
| 260 | D | A | -1.9564 | |
| 261 | S | A | -1.2792 | |
| 262 | T | A | -1.3783 | |
| 263 | K | A | -1.6769 | |
| 264 | N | A | 0.0000 | |
| 265 | Y | A | -0.7302 | |
| 266 | W | A | 0.0000 | |
| 267 | K | A | -1.7887 | |
| 268 | V | A | -0.8580 | |
| 269 | S | A | -0.8845 | |
| 270 | E | A | 0.0000 | |
| 271 | E | A | -1.3358 | |
| 272 | T | A | 0.0000 | |
| 273 | I | A | 0.0493 | |
| 274 | E | A | -0.4257 | |
| 275 | G | A | 0.0000 | |
| 276 | V | A | -1.2758 | |
| 277 | C | A | 0.0000 | |
| 278 | D | A | -1.3887 | |
| 279 | V | A | 0.0000 | |
| 280 | I | A | 0.0000 | |
| 281 | Y | A | 0.0000 | |
| 282 | Q | A | 0.0000 | |
| 283 | V | A | 0.0000 | |
| 284 | N | A | 0.0000 | |
| 285 | E | A | -1.1712 | |
| 286 | L | A | 0.0000 | |
| 287 | P | A | 0.0000 | |
| 288 | E | A | -2.1915 | |
| 289 | Y | A | -0.6019 | |
| 290 | I | A | 0.0000 | |
| 291 | V | A | 0.0000 | |
| 292 | K | A | -2.6026 | |
| 293 | E | A | -2.7539 | |
| 294 | R | A | 0.0000 | |
| 295 | A | A | -1.3269 | |
| 296 | H | A | -0.9673 | |
| 297 | Y | A | -0.5755 | |
| 298 | F | A | 0.0000 | |
| 299 | P | A | -0.9890 | |
| 300 | H | A | -1.1502 | |
| 301 | L | A | -1.0724 | |
| 302 | E | A | -1.8895 | |
| 303 | A | A | -0.9552 | |
| 304 | C | A | 0.0000 | |
| 305 | T | A | -1.3140 | |
| 306 | S | A | -1.2564 | |
| 307 | K | A | -1.8273 | |
| 308 | K | A | -2.5473 | |
| 309 | F | A | -1.0806 | |
| 310 | Y | A | 0.0000 | |
| 311 | E | A | 0.0000 | |
| 312 | I | A | 0.0000 | |
| 313 | T | A | 0.0000 | |
| 314 | K | A | 0.0000 | |
| 315 | T | A | 0.0000 | |
| 316 | K | A | -0.6610 | |
| 317 | E | A | 0.0000 | |
| 318 | I | A | 0.0000 | |
| 319 | D | A | -1.6548 | |
| 320 | S | A | -1.6566 | |
| 321 | C | A | 0.0000 | |
| 322 | K | A | -3.2532 | |
| 323 | K | A | -2.7802 | |
| 324 | S | A | 0.0000 | |
| 325 | A | A | -0.0657 | |
| 326 | V | A | 0.9807 | |
| 327 | Y | A | 1.8171 | |
| 328 | T | A | 1.4701 | |
| 329 | F | A | 2.5347 | |
| 330 | M | A | 1.3025 | |
| 331 | K | A | -0.4190 | |
| 332 | P | A | -0.0403 | |
| 333 | A | A | 0.8881 | |
| 334 | V | A | 0.4471 | |
| 335 | K | A | -1.5490 | |
| 336 | A | A | -1.5846 | |
| 337 | K | A | -2.2935 | |
| 338 | S | A | -1.5971 | |
| 339 | C | A | -1.6848 | |
| 340 | N | A | -2.9135 | |
| 341 | R | A | -2.4502 | |
| 342 | F | A | -1.9423 | |
| 343 | K | A | -2.5260 | |
| 344 | C | A | -1.5731 | |
| 345 | L | A | -1.0416 | |
| 346 | S | A | -1.1479 | |
| 347 | R | A | -2.0521 | |
| 348 | T | A | -1.0016 | |
| 349 | F | A | -0.1426 | |
| 350 | G | A | -0.3558 | |
| 351 | S | A | 0.0000 | |
| 352 | A | A | 0.0000 | |
| 353 | S | A | 0.1670 | |
| 354 | S | A | -0.0478 | |
| 355 | M | A | 0.0000 | |
| 356 | T | A | 0.0000 | |
| 357 | R | A | 0.0000 | |
| 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 | -1.3661 | |
| 364 | R | A | -1.7333 | |
| 365 | S | A | -1.5122 | |
| 366 | N | A | -1.4046 | |
| 367 | W | A | 0.0000 | |
| 368 | I | A | -0.1214 | |
| 369 | L | A | 0.0000 | |
| 370 | Q | A | 0.0000 | |
| 371 | T | A | 0.0000 | |
| 372 | I | A | 0.0000 | |
| 373 | V | A | 0.0000 | |
| 374 | N | A | -0.3800 | |
| 375 | E | A | -0.4922 | |
| 376 | G | A | 0.0914 | |
| 377 | E | A | 0.0000 | |
| 378 | I | A | 1.3527 | |
| 379 | V | A | 0.0000 | |
| 380 | Q | A | -0.2360 | |
| 381 | R | A | -0.5678 | |
| 382 | P | A | -0.0794 | |
| 383 | V | A | 0.8000 | |
| 384 | G | A | -0.2274 | |
| 385 | V | A | -0.3895 | |
| 386 | K | A | -1.6868 | |
| 387 | S | A | -1.2747 | |
| 388 | E | A | -1.8890 | |
| 389 | T | A | -0.7664 | |
| 390 | I | A | 0.0753 | |
| 391 | T | A | 0.0000 | |
| 392 | T | A | 0.6682 | |
| 393 | G | A | 0.0000 | |
| 394 | T | A | 0.2107 | |
| 395 | R | A | -0.3830 | |
| 396 | Q | A | 0.0000 | |
| 397 | V | A | 0.0000 | |
| 398 | L | A | 0.0000 | |
| 399 | K | A | -1.2492 | |
| 400 | L | A | 0.0000 | |
| 401 | R | A | -2.0635 | |
| 402 | T | A | -0.9018 | |
| 403 | I | A | -0.2202 | |
| 404 | Q | A | -1.0815 | |
| 405 | P | A | -0.8644 | |
| 406 | I | A | -0.9746 | |
| 407 | S | A | -0.9234 | |
| 408 | S | A | -1.1641 | |
| 409 | E | A | -2.2365 | |
| 410 | V | A | 0.0000 | |
| 411 | P | A | -1.3269 | |
| 412 | K | A | -1.7147 | |
| 413 | P | A | 0.0000 | |
| 414 | P | A | -1.3902 | |
| 415 | Q | A | -2.0002 | |
| 416 | P | A | -1.7808 | |
| 417 | R | A | -1.6499 | |
| 418 | T | A | -1.3926 | |
| 419 | T | A | -1.8521 | |
| 420 | E | A | -2.9749 | |
| 421 | K | A | -2.5430 | |
| 422 | I | A | 0.0000 | |
| 423 | M | A | -0.6460 | |
| 424 | Y | A | 0.1621 | |
| 425 | E | A | 0.0612 | |
| 426 | Y | A | 1.3889 | |
| 427 | I | A | 1.3976 | |
| 428 | N | A | -0.3294 | |
| 429 | A | A | 0.0988 | |
| 430 | G | A | -0.6235 | |
| 431 | Q | A | -1.1398 | |
| 432 | V | A | 0.4996 | |
| 433 | S | A | -1.2555 | |
| 434 | R | A | -2.3063 | |
| 435 | Q | A | -1.9642 | |
| 436 | Q | A | -1.2134 | |
| 437 | I | A | 1.3283 | |
| 438 | G | A | 1.4920 | |
| 439 | I | A | 2.7292 | |
| 440 | I | A | 2.9246 | |
| 441 | P | A | 0.9249 | |
| 442 | K | A | -0.2958 | |
| 443 | I | A | 0.9556 | |
| 444 | P | A | -0.6810 | |
| 445 | Q | A | -1.4058 | |
| 446 | S | A | -1.2688 | |
| 447 | E | A | -2.0719 | |
| 448 | L | A | -0.5459 | |
| 449 | K | A | -2.0090 | |
| 450 | S | A | -1.2700 | |
| 451 | G | A | -0.9411 | |
| 452 | E | A | -1.0169 | |
| 453 | I | A | 1.7408 | |
| 454 | Y | A | 1.8416 | |
| 455 | K | A | 0.8093 | |
| 456 | Y | A | 1.7837 | |
| 457 | L | A | 1.7156 | |
| 458 | P | A | -0.1453 | |
| 459 | R | A | -1.5377 | |
| 460 | H | A | -1.2109 | |
| 461 | F | A | 0.2230 | |
| 462 | N | A | -1.0464 | |
| 463 | P | A | -0.5057 | |
| 464 | A | A | -0.3549 | |
| 465 | P | A | -0.6697 | |
| 466 | S | A | -0.7935 | |
| 467 | S | A | -1.0274 | |
| 468 | T | A | -1.5665 | |
| 469 | E | A | -2.7146 | |
| 470 | S | A | -2.5167 | |
| 471 | K | A | -3.1189 | |
| 472 | Q | A | -2.7062 | |
| 473 | H | A | -2.0435 | |
| 474 | L | A | -0.9041 | |
| 475 | S | A | -0.8445 | |
| 476 | A | A | -0.8056 | |
| 477 | T | A | -1.0191 | |
| 478 | K | A | -1.9117 | |
| 479 | I | A | 0.0000 | |
| 480 | K | A | -1.4424 | |
| 481 | A | A | -1.7772 | |
| 482 | E | A | -2.3168 | |
| 483 | L | A | 0.0000 | |
| 484 | K | A | -1.3595 | |
| 485 | S | A | -0.6844 | |
| 486 | Y | A | -0.1621 | |
| 487 | I | A | 0.0000 | |
| 488 | I | A | -0.1071 | |
| 489 | S | A | -0.5086 | |
| 490 | I | A | 0.0000 | |
| 491 | I | A | 0.0000 | |
| 492 | D | A | -1.6826 | |
| 493 | D | A | -1.2151 | |
| 494 | L | A | -0.2002 | |
| 495 | S | A | -0.7849 | |
| 496 | S | A | -0.3779 | |
| 497 | V | A | 0.4926 | |
| 498 | E | A | -1.7398 | |
| 499 | E | A | -2.3861 | |
| 500 | L | A | -0.6626 | |
| 501 | A | A | -1.3527 | |
| 502 | Q | A | -2.2539 | |
| 503 | K | A | -1.8085 | |
| 504 | E | A | -1.7548 | |
| 505 | I | A | 0.0000 | |
| 506 | P | A | 0.0078 | |
| 507 | L | A | 0.6873 | |
| 508 | R | A | -0.2600 | |
| 509 | L | A | 0.1280 | |
| 510 | T | A | 0.0195 | |
| 511 | T | A | -0.3003 | |
| 512 | F | A | 0.0000 | |
| 513 | I | A | -0.2645 | |
| 514 | R | A | -1.4121 | |
| 515 | G | A | -0.6646 | |
| 516 | M | A | 0.0000 | |
| 517 | T | A | -0.0366 | |
| 518 | L | A | 0.8222 | |
| 519 | L | A | 0.0000 | |
| 520 | K | A | -1.9627 | |
| 521 | V | A | -1.7277 | |
| 522 | E | A | -2.5475 | |
| 523 | D | A | -1.7290 | |
| 524 | I | A | 0.0000 | |
| 525 | K | A | -1.8147 | |
| 526 | S | A | -1.6578 | |
| 527 | L | A | 0.0000 | |
| 528 | Y | A | 0.0000 | |
| 529 | T | A | -1.3259 | |
| 530 | D | A | -2.0820 | |
| 531 | L | A | 0.0000 | |
| 532 | K | A | -0.9192 | |
| 533 | S | A | -0.8806 | |
| 534 | T | A | -0.6177 | |
| 535 | V | A | 0.0000 | |
| 536 | Y | A | -0.1594 | |
| 537 | S | A | -0.2504 | |
| 538 | P | A | -0.4605 | |
| 539 | A | A | -0.4233 | |
| 540 | H | A | -1.3496 | |
| 541 | S | A | -1.3245 | |
| 542 | N | A | -2.3395 | |
| 543 | Q | A | -2.5646 | |
| 544 | E | A | -2.8839 | |
| 545 | K | A | -2.0552 | |
| 546 | I | A | -1.2991 | |
| 547 | S | A | -1.2637 | |
| 548 | M | A | -1.0324 | |
| 549 | F | A | 0.0000 | |
| 550 | H | A | -0.7546 | |
| 551 | N | A | -0.7434 | |
| 552 | I | A | -0.2669 | |
| 553 | F | A | 0.0000 | |
| 554 | F | A | 0.0000 | |
| 555 | D | A | -0.4873 | |
| 556 | A | A | 0.0000 | |
| 557 | V | A | 0.0000 | |
| 558 | M | A | 0.0000 | |
| 559 | V | A | 0.1121 | |
| 560 | S | A | 0.0000 | |
| 561 | G | A | 0.0000 | |
| 562 | T | A | 0.4421 | |
| 563 | T | A | -0.5366 | |
| 564 | P | A | -0.8041 | |
| 565 | A | A | 0.0000 | |
| 566 | V | A | 0.0000 | |
| 567 | L | A | -0.6799 | |
| 568 | F | A | 0.0000 | |
| 569 | L | A | 0.0000 | |
| 570 | K | A | -0.8913 | |
| 571 | D | A | -1.5932 | |
| 572 | M | A | -1.3167 | |
| 573 | I | A | 0.0000 | |
| 574 | K | A | -2.2835 | |
| 575 | S | A | -1.7326 | |
| 576 | K | A | -2.3203 | |
| 577 | E | A | -1.5931 | |
| 578 | I | A | 0.0000 | |
| 579 | P | A | -0.2174 | |
| 580 | T | A | 0.6133 | |
| 581 | Y | A | 1.7795 | |
| 582 | Q | A | 0.0000 | |
| 583 | A | A | 0.0000 | |
| 584 | T | A | 1.4215 | |
| 585 | Y | A | 1.4960 | |
| 586 | L | A | 0.0000 | |
| 587 | L | A | 0.0000 | |
| 588 | M | A | 0.8998 | |
| 589 | L | A | 0.4012 | |
| 590 | L | A | 0.0000 | |
| 591 | P | A | -0.2899 | |
| 592 | H | A | -0.8117 | |
| 593 | H | A | -0.1509 | |
| 594 | I | A | 0.0000 | |
| 595 | I | A | 1.4413 | |
| 596 | T | A | 0.8619 | |
| 597 | P | A | 0.0000 | |
| 598 | T | A | -1.3013 | |
| 599 | K | A | -2.7412 | |
| 600 | E | A | -2.5245 | |
| 601 | V | A | 0.0000 | |
| 602 | F | A | 0.0000 | |
| 603 | T | A | -1.5544 | |
| 604 | S | A | 0.0000 | |
| 605 | L | A | 0.0000 | |
| 606 | L | A | 0.0000 | |
| 607 | E | A | -1.7825 | |
| 608 | I | A | 0.0000 | |
| 609 | I | A | 0.0000 | |
| 610 | Q | A | -1.5583 | |
| 611 | S | A | 0.0000 | |
| 612 | E | A | -1.8674 | |
| 613 | I | A | -1.0661 | |
| 614 | V | A | 0.0000 | |
| 615 | I | A | 0.1944 | |
| 616 | S | A | -0.0944 | |
| 617 | N | A | 0.2219 | |
| 618 | T | A | 0.6254 | |
| 619 | I | A | 1.8975 | |
| 620 | L | A | 0.0000 | |
| 621 | Y | A | 0.0000 | |
| 622 | N | A | 0.5726 | |
| 623 | T | A | 0.9639 | |
| 624 | A | A | 0.0000 | |
| 625 | I | A | 0.0000 | |
| 626 | L | A | 0.5137 | |
| 627 | S | A | 0.0000 | |
| 628 | M | A | 0.0000 | |
| 629 | S | A | 0.0000 | |
| 630 | N | A | -0.6062 | |
| 631 | L | A | 0.0000 | |
| 632 | V | A | 0.0000 | |
| 633 | E | A | 0.0000 | |
| 634 | K | A | -1.6669 | |
| 635 | T | A | 0.0000 | |
| 636 | C | A | 0.0000 | |
| 637 | L | A | 0.0000 | |
| 638 | D | A | -1.9015 | |
| 639 | K | A | -2.2205 | |
| 640 | S | A | -1.1699 | |
| 641 | R | A | -1.5405 | |
| 642 | Q | A | -1.2911 | |
| 643 | V | A | 0.7742 | |
| 644 | S | A | 0.0550 | |
| 645 | Y | A | 0.7189 | |
| 646 | P | A | 1.2048 | |
| 647 | T | A | 0.7437 | |
| 648 | A | A | 1.2162 | |
| 649 | V | A | 2.5128 | |
| 650 | F | A | 2.4515 | |
| 651 | G | A | 0.5167 | |
| 652 | Q | A | -0.9715 | |
| 653 | F | A | -0.7133 | |
| 654 | C | A | 0.0000 | |
| 655 | D | A | -1.6299 | |
| 656 | A | A | -1.4440 | |
| 657 | Q | A | -2.1154 | |
| 658 | S | A | 0.0000 | |
| 659 | E | A | -3.4706 | |
| 660 | I | A | 0.0000 | |
| 661 | V | A | 0.0000 | |
| 662 | T | A | -2.4875 | |
| 663 | E | A | -3.4071 | |
| 664 | K | A | -2.8773 | |
| 665 | W | A | 0.0000 | |
| 666 | I | A | 0.0000 | |
| 667 | P | A | -1.5753 | |
| 668 | Y | A | -1.2497 | |
| 669 | L | A | 0.0000 | |
| 670 | T | A | -1.2244 | |
| 671 | K | A | -2.1442 | |
| 672 | A | A | 0.0000 | |
| 673 | V | A | 0.0000 | |
| 674 | Q | A | -1.8021 | |
| 675 | T | A | -1.3544 | |
| 676 | A | A | 0.0000 | |
| 677 | P | A | -0.9731 | |
| 678 | T | A | -1.0072 | |
| 679 | A | A | -1.0041 | |
| 680 | D | A | -1.6619 | |
| 681 | R | A | 0.0000 | |
| 682 | R | A | 0.0000 | |
| 683 | N | A | -0.4487 | |
| 684 | A | A | -0.1260 | |
| 685 | I | A | 0.0000 | |
| 686 | I | A | 0.0000 | |
| 687 | M | A | 0.5005 | |
| 688 | A | A | 0.0000 | |
| 689 | L | A | 0.0000 | |
| 690 | G | A | 0.0000 | |
| 691 | A | A | -0.1323 | |
| 692 | L | A | 0.0000 | |
| 693 | K | A | -0.7608 | |
| 694 | H | A | 0.0000 | |
| 695 | K | A | -1.6036 | |
| 696 | D | A | -1.3887 | |
| 697 | I | A | 0.0000 | |
| 698 | I | A | 0.0000 | |
| 699 | P | A | -0.7005 | |
| 700 | A | A | 0.0000 | |
| 701 | L | A | 0.0000 | |
| 702 | L | A | 0.0000 | |
| 703 | P | A | -0.9416 | |
| 704 | L | A | 0.0000 | |
| 705 | V | A | 0.0000 | |
| 706 | E | A | -0.8112 | |
| 707 | G | A | -0.7918 | |
| 708 | H | A | -1.5466 | |
| 709 | G | A | 0.0000 | |
| 710 | P | A | -0.9265 | |
| 711 | I | A | -0.3501 | |
| 712 | E | A | -1.8603 | |
| 713 | Q | A | -1.9224 | |
| 714 | G | A | -1.2980 | |
| 715 | S | A | -0.7005 | |
| 716 | G | A | -0.1738 | |
| 717 | V | A | 1.1752 | |
| 718 | A | A | 0.4410 | |
| 719 | F | A | 0.0000 | |
| 720 | P | A | 0.2555 | |
| 721 | N | A | -0.8045 | |
| 722 | I | A | 0.7730 | |
| 723 | S | A | 0.0000 | |
| 724 | R | A | 0.0000 | |
| 725 | T | A | 0.0000 | |
| 726 | L | A | 0.6439 | |
| 727 | S | A | 0.0000 | |
| 728 | I | A | 0.0000 | |
| 729 | Y | A | 0.4342 | |
| 730 | A | A | 0.0000 | |
| 731 | I | A | 0.0000 | |
| 732 | G | A | 0.0000 | |
| 733 | N | A | -0.3531 | |
| 734 | V | A | 0.0000 | |
| 735 | R | A | -0.6943 | |
| 736 | V | A | 0.7391 | |
| 737 | H | A | -0.7421 | |
| 738 | H | A | -1.0392 | |
| 739 | P | A | -1.0595 | |
| 740 | E | A | -1.8084 | |
| 741 | L | A | -1.0745 | |
| 742 | V | A | 0.0000 | |
| 743 | L | A | -0.4037 | |
| 744 | P | A | -0.5236 | |
| 745 | I | A | 0.0000 | |
| 746 | I | A | 0.0000 | |
| 747 | L | A | 0.0000 | |
| 748 | S | A | 0.0000 | |
| 749 | V | A | 0.0000 | |
| 750 | Y | A | 0.0000 | |
| 751 | S | A | 0.0000 | |
| 752 | N | A | 0.0000 | |
| 753 | P | A | -0.4670 | |
| 754 | A | A | -0.2172 | |
| 755 | E | A | 0.0000 | |
| 756 | N | A | -1.1961 | |
| 757 | T | A | -1.2939 | |
| 758 | Q | A | -1.3074 | |
| 759 | L | A | 0.0000 | |
| 760 | R | A | 0.0000 | |
| 761 | I | A | -0.8695 | |
| 762 | A | A | 0.0000 | |
| 763 | A | A | 0.0000 | |
| 764 | F | A | 0.0000 | |
| 765 | N | A | -0.8100 | |
| 766 | M | A | 0.0000 | |
| 767 | L | A | 0.0000 | |
| 768 | V | A | -0.8152 | |
| 769 | N | A | -1.6406 | |
| 770 | M | A | -0.6136 | |
| 771 | N | A | -0.9756 | |
| 772 | P | A | 0.0000 | |
| 773 | P | A | -0.2296 | |
| 774 | M | A | -0.1702 | |
| 775 | N | A | -0.4149 | |
| 776 | I | A | 0.0000 | |
| 777 | I | A | 0.0000 | |
| 778 | Q | A | 0.0000 | |
| 779 | K | A | 0.0000 | |
| 780 | I | A | 0.0000 | |
| 781 | A | A | 0.0000 | |
| 782 | A | A | -0.0664 | |
| 783 | M | A | 0.0000 | |
| 784 | T | A | 0.0000 | |
| 785 | W | A | 0.0000 | |
| 786 | S | A | -0.5482 | |
| 787 | E | A | -1.1339 | |
| 788 | K | A | -1.9472 | |
| 789 | N | A | -1.7667 | |
| 790 | T | A | -1.8165 | |
| 791 | E | A | -2.7540 | |
| 792 | V | A | 0.0000 | |
| 793 | L | A | 0.0000 | |
| 794 | K | A | -2.2424 | |
| 795 | K | A | -1.6700 | |
| 796 | T | A | 0.0000 | |
| 797 | Y | A | 0.0000 | |
| 798 | T | A | -0.5424 | |
| 799 | G | A | -0.3748 | |
| 800 | F | A | 0.0000 | |
| 801 | Y | A | -0.2756 | |
| 802 | T | A | -0.4716 | |
| 803 | L | A | -0.7429 | |
| 804 | S | A | -1.1816 | |
| 805 | R | A | -2.1428 | |
| 806 | S | A | -1.5789 | |
| 807 | V | A | -1.6354 | |
| 808 | D | A | -2.1425 | |
| 809 | I | A | -1.2085 | |
| 810 | S | A | -0.8378 | |
| 811 | N | A | -1.3750 | |
| 812 | L | A | -0.2471 | |
| 813 | E | A | -1.7188 | |
| 814 | D | A | -1.8011 | |
| 815 | T | A | -1.1135 | |
| 816 | S | A | -1.2479 | |
| 817 | P | A | -1.4868 | |
| 818 | E | A | -2.2497 | |
| 819 | S | A | 0.0000 | |
| 820 | T | A | -0.8531 | |
| 821 | L | A | 0.0000 | |
| 822 | A | A | 0.0000 | |
| 823 | K | A | -0.7129 | |
| 824 | K | A | -0.6754 | |
| 825 | T | A | 0.0000 | |
| 826 | Q | A | 0.0000 | |
| 827 | L | A | -0.0113 | |
| 828 | V | A | 0.0000 | |
| 829 | V | A | 0.0000 | |
| 830 | P | A | 0.0606 | |
| 831 | L | A | 0.0000 | |
| 832 | M | A | 0.0000 | |
| 833 | R | A | 0.0000 | |
| 834 | K | A | -0.7302 | |
| 835 | T | A | -0.7528 | |
| 836 | S | A | -0.3661 | |
| 837 | G | A | -0.4333 | |
| 838 | V | A | 0.1154 | |
| 839 | L | A | 0.6991 | |
| 840 | Q | A | -0.8506 | |
| 841 | G | A | -0.9018 | |
| 842 | G | A | -0.8098 | |
| 843 | S | A | -0.6682 | |
| 844 | G | A | -0.7013 | |
| 845 | V | A | 0.0420 | |
| 846 | E | A | -2.1019 | |
| 847 | H | A | -2.3764 | |
| 848 | H | A | -2.7593 | |
| 849 | H | A | -3.0109 | |
| 850 | H | A | -2.7200 | |
| 851 | H | A | -2.4241 | |
| 852 | H | A | -1.9200 |
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 | -0.6621 | 5.2398 | View | CSV | PDB |
| 4.5 | -0.7264 | 5.2454 | View | CSV | PDB |
| 5.0 | -0.8029 | 5.2612 | View | CSV | PDB |
| 5.5 | -0.8743 | 5.2999 | View | CSV | PDB |
| 6.0 | -0.9216 | 5.372 | View | CSV | PDB |
| 6.5 | -0.9325 | 5.4723 | View | CSV | PDB |
| 7.0 | -0.911 | 5.5873 | View | CSV | PDB |
| 7.5 | -0.8708 | 5.7078 | View | CSV | PDB |
| 8.0 | -0.8218 | 5.83 | View | CSV | PDB |
| 8.5 | -0.7666 | 5.9519 | View | CSV | PDB |
| 9.0 | -0.7056 | 6.0711 | 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