| Chain sequence(s) |
A: HHHHHHMSDQEAKPSTEDLGDKEEGEYIKLKVIGQDSSEIHFKVKMTTHLKKLKESYCQRQGVPMNSLTFLFEGQRIADNHTPKELGMEEEDVIEVYQEQTGGHSTVWQAGKEHIFHYTGRLLSGIPGLRPHFSGIGIETEVHLQVKSLEDIRLNLRQVNYTQVNGPLSPGLPHVTSSYEGSNWRYVLLPQFTQAPIDIKKLLKVPITFAIHDGEIKTITVSGTEQKWSLNFKKALVALFQTKMETSTLDNKMNTIVKDSDSTKNYWKVSEETIEGVCDVIYQVNELPEYIVKERAHYFPHLEACTSKKFYEITKTKNIDSCKKSAVYTFMKPAVKAKKCNSFKCLSNTFGSASSMTRYYACGPRSNWILQTIVNEGEIVQRPVGVKSETITTGTRQVLKLRTIQPISSEVPKPPQPRTTEKIMYEYINAGQVSRQQIGIIPKIPQSELKSGEIYKYLPRHFNPAPSSTESKQHLSATKIKAELKSYIISIIDDLSSVEELAQKEIPLRLTTFIRGMTLLKVEDIKSLYTDLKSTVYSPAHSNQEKISMFHNIFFDAVMVSGTTPAVLFLKDMIKSKEIPTYQATYLLMLLPHHIITPTKEVFTSLLEIIQSEIVISNTILYNTAILSMSNLVEKTCLDKSRQVSYPTAVFGQFCDAQSEIVTEKWIPYLTKAVQTAPTADRRNAIIMALGALKHKDIIPALLPLVEGHGPIEQGSGVAFPNISRTLSIYAIGNVRVHHPELVLPIILSVYSNPAENTQLRIAAFNMLVNMNPPMNIIQKIAAMTWSEKNTEVLKKTYTGFYTLSRSVDISNLEDTSPESTLAKKTQLVVPLMRKTSGVLQGGSGVEMSDQEAKPSTEDLGDKEEGEYIKLKVIGQDSSEIHFKVKMTTHLKKLKESYCQRQGVPMNSLTFLFEGQRIADNHTPKELGMEEEDVIEVYQEQTGGHSTVGGSGVEHHHHHH
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. (00:00:15)
[INFO] FoldX: Starting FoldX energy minimization (00:00:15)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:32:11)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/68770cda5b49851/tmp/folded.pdb (00:32:11)
[INFO] Main: Simulation completed successfully. (00:46:04)
|
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 | H | A | -1.8917 | |
| 2 | H | A | -2.3736 | |
| 3 | H | A | -2.6867 | |
| 4 | H | A | -2.5226 | |
| 5 | H | A | -2.0982 | |
| 6 | H | A | -1.6957 | |
| 7 | M | A | -0.5851 | |
| 8 | S | A | -1.5992 | |
| 9 | D | A | -2.8666 | |
| 10 | Q | A | -3.0939 | |
| 11 | E | A | -3.4539 | |
| 12 | A | A | -2.3551 | |
| 13 | K | A | -2.5598 | |
| 14 | P | A | -1.6397 | |
| 15 | S | A | -1.5762 | |
| 16 | T | A | -1.5519 | |
| 17 | E | A | -2.4128 | |
| 18 | D | A | -2.5277 | |
| 19 | L | A | -0.8346 | |
| 20 | G | A | -2.1415 | |
| 21 | D | A | -3.4907 | |
| 22 | K | A | -4.0976 | |
| 23 | E | A | -4.4126 | |
| 24 | E | A | -4.0249 | |
| 25 | G | A | -2.6612 | |
| 26 | E | A | -2.7202 | |
| 27 | Y | A | -1.5531 | |
| 28 | I | A | 0.0000 | |
| 29 | K | A | -2.7830 | |
| 30 | L | A | 0.0000 | |
| 31 | K | A | -1.6211 | |
| 32 | V | A | 0.0000 | |
| 33 | I | A | -0.8375 | |
| 34 | G | A | -1.7103 | |
| 35 | Q | A | -2.4196 | |
| 36 | D | A | -2.5466 | |
| 37 | S | A | -1.7540 | |
| 38 | S | A | -1.3791 | |
| 39 | E | A | -1.4747 | |
| 40 | I | A | -0.4945 | |
| 41 | H | A | -1.3294 | |
| 42 | F | A | -1.3794 | |
| 43 | K | A | -2.2986 | |
| 44 | V | A | 0.0000 | |
| 45 | K | A | -1.6779 | |
| 46 | M | A | -1.9799 | |
| 47 | T | A | -1.2911 | |
| 48 | T | A | -1.2856 | |
| 49 | H | A | -2.4234 | |
| 50 | L | A | 0.0000 | |
| 51 | K | A | -2.8692 | |
| 52 | K | A | -3.1138 | |
| 53 | L | A | 0.0000 | |
| 54 | K | A | 0.0000 | |
| 55 | E | A | -3.4563 | |
| 56 | S | A | -2.5339 | |
| 57 | Y | A | 0.0000 | |
| 58 | C | A | 0.0000 | |
| 59 | Q | A | -2.9228 | |
| 60 | R | A | -3.0943 | |
| 61 | Q | A | -2.3781 | |
| 62 | G | A | -1.6757 | |
| 63 | V | A | -1.2095 | |
| 64 | P | A | -1.0334 | |
| 65 | M | A | -1.5130 | |
| 66 | N | A | -1.8219 | |
| 67 | S | A | -1.5605 | |
| 68 | L | A | 0.0000 | |
| 69 | T | A | -1.5208 | |
| 70 | F | A | 0.0000 | |
| 71 | L | A | -1.3667 | |
| 72 | F | A | 0.0000 | |
| 73 | E | A | -2.3868 | |
| 74 | G | A | -1.9449 | |
| 75 | Q | A | -2.1387 | |
| 76 | R | A | -2.4689 | |
| 77 | I | A | 0.0000 | |
| 78 | A | A | -1.4288 | |
| 79 | D | A | -2.3444 | |
| 80 | N | A | -2.4118 | |
| 81 | H | A | -2.2196 | |
| 82 | T | A | 0.0000 | |
| 83 | P | A | 0.0000 | |
| 84 | K | A | -3.2980 | |
| 85 | E | A | -3.2481 | |
| 86 | L | A | -2.1797 | |
| 87 | G | A | -2.3085 | |
| 88 | M | A | 0.0000 | |
| 89 | E | A | -3.4206 | |
| 90 | E | A | -3.8945 | |
| 91 | E | A | -3.6341 | |
| 92 | D | A | -2.6255 | |
| 93 | V | A | -1.2298 | |
| 94 | I | A | 0.0000 | |
| 95 | E | A | -1.4911 | |
| 96 | V | A | 0.0000 | |
| 97 | Y | A | -1.3371 | |
| 98 | Q | A | -2.3297 | |
| 99 | E | A | -2.9538 | |
| 100 | Q | A | -2.7480 | |
| 101 | T | A | -1.9550 | |
| 102 | G | A | -2.0262 | |
| 103 | G | A | -1.7213 | |
| 104 | H | A | -1.8762 | |
| 105 | S | A | -1.5812 | |
| 106 | T | A | -1.0138 | |
| 107 | V | A | -0.4495 | |
| 108 | W | A | 0.0000 | |
| 109 | Q | A | -1.2373 | |
| 110 | A | A | -0.9663 | |
| 111 | G | A | -1.4819 | |
| 112 | K | A | -1.5775 | |
| 113 | E | A | 0.0000 | |
| 114 | H | A | 0.0000 | |
| 115 | I | A | -0.7209 | |
| 116 | F | A | 0.0000 | |
| 117 | H | A | -1.2002 | |
| 118 | Y | A | 0.0000 | |
| 119 | T | A | -0.3164 | |
| 120 | G | A | 0.0000 | |
| 121 | R | A | 0.1340 | |
| 122 | L | A | 0.5476 | |
| 123 | L | A | 0.0000 | |
| 124 | S | A | 0.2429 | |
| 125 | G | A | -0.1063 | |
| 126 | I | A | 0.1290 | |
| 127 | P | A | -0.5910 | |
| 128 | G | A | -0.6349 | |
| 129 | L | A | 0.0373 | |
| 130 | R | A | -1.5061 | |
| 131 | P | A | -1.2324 | |
| 132 | H | A | -1.4023 | |
| 133 | F | A | 0.0000 | |
| 134 | S | A | -0.8972 | |
| 135 | G | A | -0.3283 | |
| 136 | I | A | 0.1818 | |
| 137 | G | A | 0.0000 | |
| 138 | I | A | 0.1564 | |
| 139 | E | A | -0.7860 | |
| 140 | T | A | 0.0000 | |
| 141 | E | A | -1.5433 | |
| 142 | V | A | 0.0000 | |
| 143 | H | A | 0.0000 | |
| 144 | L | A | 0.0000 | |
| 145 | Q | A | 0.0000 | |
| 146 | V | A | 0.0000 | |
| 147 | K | A | -1.6475 | |
| 148 | S | A | -1.1843 | |
| 149 | L | A | -0.9351 | |
| 150 | E | A | -2.0319 | |
| 151 | D | A | -1.3608 | |
| 152 | I | A | 0.0000 | |
| 153 | R | A | 0.0000 | |
| 154 | L | A | 0.0000 | |
| 155 | N | A | -0.6635 | |
| 156 | L | A | 0.0000 | |
| 157 | R | A | -2.0273 | |
| 158 | Q | A | -2.2292 | |
| 159 | V | A | 0.0000 | |
| 160 | N | A | -1.1085 | |
| 161 | Y | A | -0.3120 | |
| 162 | T | A | 0.0000 | |
| 163 | Q | A | -1.2035 | |
| 164 | V | A | 0.0000 | |
| 165 | N | A | -1.7634 | |
| 166 | G | A | -1.4148 | |
| 167 | P | A | -1.1432 | |
| 168 | L | A | 0.0000 | |
| 169 | S | A | 0.1374 | |
| 170 | P | A | 0.3917 | |
| 171 | G | A | 0.0000 | |
| 172 | L | A | 1.1903 | |
| 173 | P | A | 0.1460 | |
| 174 | H | A | -0.8112 | |
| 175 | V | A | 0.0021 | |
| 176 | T | A | -0.0986 | |
| 177 | S | A | -0.0259 | |
| 178 | S | A | 0.2210 | |
| 179 | Y | A | 0.4506 | |
| 180 | E | A | -0.7597 | |
| 181 | G | A | 0.0000 | |
| 182 | S | A | -0.2650 | |
| 183 | N | A | -0.7014 | |
| 184 | W | A | 0.0000 | |
| 185 | R | A | -0.3347 | |
| 186 | Y | A | 0.2355 | |
| 187 | V | A | 0.0000 | |
| 188 | L | A | 1.0453 | |
| 189 | L | A | 0.2777 | |
| 190 | P | A | -0.5028 | |
| 191 | Q | A | -0.9494 | |
| 192 | F | A | -0.4771 | |
| 193 | T | A | -0.8376 | |
| 194 | Q | A | -1.0879 | |
| 195 | A | A | 0.0000 | |
| 196 | P | A | -0.1179 | |
| 197 | I | A | 0.5898 | |
| 198 | D | A | -1.5087 | |
| 199 | I | A | -0.6505 | |
| 200 | K | A | -1.4733 | |
| 201 | K | A | -2.0910 | |
| 202 | L | A | -1.0949 | |
| 203 | L | A | 0.0000 | |
| 204 | K | A | -2.2637 | |
| 205 | V | A | -1.0298 | |
| 206 | P | A | 0.0000 | |
| 207 | I | A | 0.0000 | |
| 208 | T | A | 0.0000 | |
| 209 | F | A | 0.0000 | |
| 210 | A | A | 0.0000 | |
| 211 | I | A | 0.0000 | |
| 212 | H | A | -2.1596 | |
| 213 | D | A | -2.9147 | |
| 214 | G | A | -1.6670 | |
| 215 | E | A | -1.7108 | |
| 216 | I | A | 0.0000 | |
| 217 | K | A | -2.2006 | |
| 218 | T | A | -1.6283 | |
| 219 | I | A | 0.0000 | |
| 220 | T | A | -0.7597 | |
| 221 | V | A | 0.0000 | |
| 222 | S | A | 0.0000 | |
| 223 | G | A | -1.0686 | |
| 224 | T | A | -0.7599 | |
| 225 | E | A | 0.0000 | |
| 226 | Q | A | -0.6039 | |
| 227 | K | A | 0.0046 | |
| 228 | W | A | 0.5963 | |
| 229 | S | A | 0.0000 | |
| 230 | L | A | 0.0000 | |
| 231 | N | A | 0.0000 | |
| 232 | F | A | 0.5158 | |
| 233 | K | A | 0.0000 | |
| 234 | K | A | 0.0000 | |
| 235 | A | A | 0.2342 | |
| 236 | L | A | 0.0000 | |
| 237 | V | A | 0.0000 | |
| 238 | A | A | -0.0345 | |
| 239 | L | A | 0.0000 | |
| 240 | F | A | 0.0000 | |
| 241 | Q | A | 0.0000 | |
| 242 | T | A | 0.0000 | |
| 243 | K | A | -0.9903 | |
| 244 | M | A | -0.9843 | |
| 245 | E | A | -1.0003 | |
| 246 | T | A | -0.7140 | |
| 247 | S | A | -0.7525 | |
| 248 | T | A | -0.7504 | |
| 249 | L | A | -1.0121 | |
| 250 | D | A | -2.4698 | |
| 251 | N | A | -2.6621 | |
| 252 | K | A | -2.5523 | |
| 253 | M | A | -0.8138 | |
| 254 | N | A | -0.6252 | |
| 255 | T | A | 0.5214 | |
| 256 | I | A | 1.9581 | |
| 257 | V | A | 0.9861 | |
| 258 | K | A | -1.5014 | |
| 259 | D | A | -2.6548 | |
| 260 | S | A | -2.1083 | |
| 261 | D | A | -2.6217 | |
| 262 | S | A | -1.7617 | |
| 263 | T | A | -1.3256 | |
| 264 | K | A | -0.7889 | |
| 265 | N | A | -1.5361 | |
| 266 | Y | A | -0.5353 | |
| 267 | W | A | 0.0000 | |
| 268 | K | A | -0.9945 | |
| 269 | V | A | -0.5637 | |
| 270 | S | A | -0.7563 | |
| 271 | E | A | 0.0000 | |
| 272 | E | A | -0.8492 | |
| 273 | T | A | 0.0000 | |
| 274 | I | A | 0.3509 | |
| 275 | E | A | 0.0412 | |
| 276 | G | A | 0.0000 | |
| 277 | V | A | -0.7430 | |
| 278 | C | A | 0.0000 | |
| 279 | D | A | -1.3119 | |
| 280 | V | A | 0.0000 | |
| 281 | I | A | -0.3534 | |
| 282 | Y | A | 0.0000 | |
| 283 | Q | A | -0.9892 | |
| 284 | V | A | 0.0000 | |
| 285 | N | A | -2.2883 | |
| 286 | E | A | -2.8912 | |
| 287 | L | A | 0.0000 | |
| 288 | P | A | -1.4719 | |
| 289 | E | A | -2.2539 | |
| 290 | Y | A | -0.4847 | |
| 291 | I | A | -1.0658 | |
| 292 | V | A | 0.0000 | |
| 293 | K | A | -2.7358 | |
| 294 | E | A | -2.9687 | |
| 295 | R | A | -2.6079 | |
| 296 | A | A | -1.7018 | |
| 297 | H | A | -1.2871 | |
| 298 | Y | A | -0.7676 | |
| 299 | F | A | 0.0000 | |
| 300 | P | A | -0.9599 | |
| 301 | H | A | -0.9194 | |
| 302 | L | A | -0.7464 | |
| 303 | E | A | -1.6184 | |
| 304 | A | A | -0.6168 | |
| 305 | C | A | -0.8839 | |
| 306 | T | A | -0.8699 | |
| 307 | S | A | -1.4170 | |
| 308 | K | A | -2.4412 | |
| 309 | K | A | -2.4904 | |
| 310 | F | A | 0.0000 | |
| 311 | Y | A | 0.0000 | |
| 312 | E | A | -1.2196 | |
| 313 | I | A | 0.0000 | |
| 314 | T | A | -0.5014 | |
| 315 | K | A | 0.0000 | |
| 316 | T | A | -0.4490 | |
| 317 | K | A | -0.7165 | |
| 318 | N | A | -1.2058 | |
| 319 | I | A | -1.0525 | |
| 320 | D | A | -1.9619 | |
| 321 | S | A | -1.4629 | |
| 322 | C | A | -1.3511 | |
| 323 | K | A | -2.0549 | |
| 324 | K | A | -1.1457 | |
| 325 | S | A | -0.5895 | |
| 326 | A | A | 0.0000 | |
| 327 | V | A | 0.6182 | |
| 328 | Y | A | 0.4890 | |
| 329 | T | A | 0.3427 | |
| 330 | F | A | 0.0979 | |
| 331 | M | A | -0.1235 | |
| 332 | K | A | -0.7974 | |
| 333 | P | A | -0.9230 | |
| 334 | A | A | -0.7407 | |
| 335 | V | A | -1.2147 | |
| 336 | K | A | -2.4236 | |
| 337 | A | A | -2.3912 | |
| 338 | K | A | -3.4112 | |
| 339 | K | A | -3.2007 | |
| 340 | C | A | 0.0000 | |
| 341 | N | A | -2.8099 | |
| 342 | S | A | -1.7492 | |
| 343 | F | A | -0.9569 | |
| 344 | K | A | -2.3083 | |
| 345 | C | A | -1.6182 | |
| 346 | L | A | 0.0000 | |
| 347 | S | A | -0.9880 | |
| 348 | N | A | -1.4795 | |
| 349 | T | A | -0.5610 | |
| 350 | F | A | 0.4858 | |
| 351 | G | A | 0.0000 | |
| 352 | S | A | -0.5633 | |
| 353 | A | A | -0.4352 | |
| 354 | S | A | -0.2467 | |
| 355 | S | A | 0.0000 | |
| 356 | M | A | -0.2283 | |
| 357 | T | A | 0.0000 | |
| 358 | R | A | -0.7002 | |
| 359 | Y | A | 0.0000 | |
| 360 | Y | A | 0.0000 | |
| 361 | A | A | 0.0000 | |
| 362 | C | A | 0.0000 | |
| 363 | G | A | 0.0000 | |
| 364 | P | A | -1.0667 | |
| 365 | R | A | -0.9046 | |
| 366 | S | A | -1.0559 | |
| 367 | N | A | -1.2370 | |
| 368 | W | A | 0.0000 | |
| 369 | I | A | 0.2943 | |
| 370 | L | A | 0.0000 | |
| 371 | Q | A | 0.0000 | |
| 372 | T | A | 0.0000 | |
| 373 | I | A | 0.0000 | |
| 374 | V | A | 0.0000 | |
| 375 | N | A | -0.3650 | |
| 376 | E | A | -0.5547 | |
| 377 | G | A | -0.0951 | |
| 378 | E | A | 0.0714 | |
| 379 | I | A | 0.8362 | |
| 380 | V | A | 0.2539 | |
| 381 | Q | A | -0.3858 | |
| 382 | R | A | -0.3475 | |
| 383 | P | A | 0.4331 | |
| 384 | V | A | 1.2414 | |
| 385 | G | A | 0.6087 | |
| 386 | V | A | 0.6714 | |
| 387 | K | A | -1.0536 | |
| 388 | S | A | -0.8152 | |
| 389 | E | A | -1.2063 | |
| 390 | T | A | -0.1994 | |
| 391 | I | A | 0.3794 | |
| 392 | T | A | 0.0000 | |
| 393 | T | A | 0.5138 | |
| 394 | G | A | 0.0000 | |
| 395 | T | A | 0.0480 | |
| 396 | R | A | -0.2834 | |
| 397 | Q | A | 0.0000 | |
| 398 | V | A | -0.1828 | |
| 399 | L | A | 0.0000 | |
| 400 | K | A | -1.0548 | |
| 401 | L | A | 0.0000 | |
| 402 | R | A | -2.1021 | |
| 403 | T | A | -1.0562 | |
| 404 | I | A | -0.6070 | |
| 405 | Q | A | -1.3483 | |
| 406 | P | A | -1.0824 | |
| 407 | I | A | -0.9677 | |
| 408 | S | A | -0.8655 | |
| 409 | S | A | -1.0044 | |
| 410 | E | A | -1.9103 | |
| 411 | V | A | 0.0000 | |
| 412 | P | A | -1.2037 | |
| 413 | K | A | -1.6184 | |
| 414 | P | A | 0.0000 | |
| 415 | P | A | -1.1978 | |
| 416 | Q | A | -1.6926 | |
| 417 | P | A | -1.3122 | |
| 418 | R | A | -0.9433 | |
| 419 | T | A | -0.6427 | |
| 420 | T | A | -1.0605 | |
| 421 | E | A | -1.9331 | |
| 422 | K | A | -0.9119 | |
| 423 | I | A | 0.0000 | |
| 424 | M | A | 0.0000 | |
| 425 | Y | A | 0.8300 | |
| 426 | E | A | 0.0000 | |
| 427 | Y | A | 0.2228 | |
| 428 | I | A | -0.3322 | |
| 429 | N | A | -0.9954 | |
| 430 | A | A | -1.1720 | |
| 431 | G | A | -1.5956 | |
| 432 | Q | A | -1.7484 | |
| 433 | V | A | -1.5368 | |
| 434 | S | A | -1.9062 | |
| 435 | R | A | -2.9198 | |
| 436 | Q | A | -2.8991 | |
| 437 | Q | A | -2.4761 | |
| 438 | I | A | -1.1549 | |
| 439 | G | A | -1.1432 | |
| 440 | I | A | -0.6203 | |
| 441 | I | A | -0.0626 | |
| 442 | P | A | -0.4741 | |
| 443 | K | A | -1.3198 | |
| 444 | I | A | 0.0000 | |
| 445 | P | A | -0.9853 | |
| 446 | Q | A | -1.5035 | |
| 447 | S | A | -1.3385 | |
| 448 | E | A | -1.4146 | |
| 449 | L | A | 0.0000 | |
| 450 | K | A | -2.0809 | |
| 451 | S | A | -1.5802 | |
| 452 | G | A | 0.0000 | |
| 453 | E | A | -1.2886 | |
| 454 | I | A | 0.0000 | |
| 455 | Y | A | 0.0000 | |
| 456 | K | A | -0.9712 | |
| 457 | Y | A | -0.4729 | |
| 458 | L | A | 0.0000 | |
| 459 | P | A | -1.1647 | |
| 460 | R | A | -2.3726 | |
| 461 | H | A | -1.6474 | |
| 462 | F | A | 0.0000 | |
| 463 | N | A | -1.7121 | |
| 464 | P | A | -1.0162 | |
| 465 | A | A | -0.7144 | |
| 466 | P | A | -1.0240 | |
| 467 | S | A | -1.0844 | |
| 468 | S | A | -1.0656 | |
| 469 | T | A | -1.6992 | |
| 470 | E | A | -2.8411 | |
| 471 | S | A | -2.6197 | |
| 472 | K | A | -3.3433 | |
| 473 | Q | A | -2.8982 | |
| 474 | H | A | -2.1949 | |
| 475 | L | A | -1.3043 | |
| 476 | S | A | -0.8921 | |
| 477 | A | A | -0.9466 | |
| 478 | T | A | -1.0950 | |
| 479 | K | A | -2.1057 | |
| 480 | I | A | 0.0000 | |
| 481 | K | A | -1.5930 | |
| 482 | A | A | -1.7323 | |
| 483 | E | A | -2.3221 | |
| 484 | L | A | 0.0000 | |
| 485 | K | A | -1.2582 | |
| 486 | S | A | -0.7666 | |
| 487 | Y | A | -0.3081 | |
| 488 | I | A | 0.0000 | |
| 489 | I | A | -0.2984 | |
| 490 | S | A | -0.6291 | |
| 491 | I | A | 0.0000 | |
| 492 | I | A | 0.0000 | |
| 493 | D | A | -1.8965 | |
| 494 | D | A | -1.2789 | |
| 495 | L | A | -0.1783 | |
| 496 | S | A | -0.9223 | |
| 497 | S | A | -0.3405 | |
| 498 | V | A | 0.7003 | |
| 499 | E | A | -1.7683 | |
| 500 | E | A | -2.4706 | |
| 501 | L | A | -0.6977 | |
| 502 | A | A | -1.2176 | |
| 503 | Q | A | -2.2819 | |
| 504 | K | A | -1.7835 | |
| 505 | E | A | -1.6680 | |
| 506 | I | A | 0.0000 | |
| 507 | P | A | 0.0321 | |
| 508 | L | A | 0.9223 | |
| 509 | R | A | 0.1951 | |
| 510 | L | A | 0.4796 | |
| 511 | T | A | 0.4495 | |
| 512 | T | A | 0.2195 | |
| 513 | F | A | 0.0000 | |
| 514 | I | A | 0.2253 | |
| 515 | R | A | -0.9814 | |
| 516 | G | A | -0.6991 | |
| 517 | M | A | 0.0000 | |
| 518 | T | A | 0.0000 | |
| 519 | L | A | 0.0000 | |
| 520 | L | A | 0.0000 | |
| 521 | K | A | -1.7734 | |
| 522 | V | A | -1.3935 | |
| 523 | E | A | -2.2407 | |
| 524 | D | A | -1.5410 | |
| 525 | I | A | 0.0000 | |
| 526 | K | A | -1.6022 | |
| 527 | S | A | -1.4273 | |
| 528 | L | A | 0.0000 | |
| 529 | Y | A | 0.0000 | |
| 530 | T | A | -1.0896 | |
| 531 | D | A | -1.6533 | |
| 532 | L | A | 0.0000 | |
| 533 | K | A | -0.7252 | |
| 534 | S | A | -0.6287 | |
| 535 | T | A | -0.4088 | |
| 536 | V | A | 0.0000 | |
| 537 | Y | A | 0.2943 | |
| 538 | S | A | -0.0622 | |
| 539 | P | A | -0.3220 | |
| 540 | A | A | -0.2692 | |
| 541 | H | A | -0.8777 | |
| 542 | S | A | -1.0555 | |
| 543 | N | A | -1.9904 | |
| 544 | Q | A | -2.3764 | |
| 545 | E | A | -2.6803 | |
| 546 | K | A | -1.9213 | |
| 547 | I | A | -1.1890 | |
| 548 | S | A | -1.2597 | |
| 549 | M | A | -0.9989 | |
| 550 | F | A | 0.0000 | |
| 551 | H | A | -0.7882 | |
| 552 | N | A | -0.8350 | |
| 553 | I | A | -0.2458 | |
| 554 | F | A | 0.0000 | |
| 555 | F | A | 0.0000 | |
| 556 | D | A | -0.4435 | |
| 557 | A | A | 0.0000 | |
| 558 | V | A | 0.0000 | |
| 559 | M | A | 0.0000 | |
| 560 | V | A | 0.1745 | |
| 561 | S | A | 0.0000 | |
| 562 | G | A | 0.0000 | |
| 563 | T | A | 0.0000 | |
| 564 | T | A | 0.0000 | |
| 565 | P | A | 0.0000 | |
| 566 | A | A | 0.0000 | |
| 567 | V | A | 0.0000 | |
| 568 | L | A | -0.4172 | |
| 569 | F | A | 0.0000 | |
| 570 | L | A | 0.0000 | |
| 571 | K | A | -0.8149 | |
| 572 | D | A | -1.3816 | |
| 573 | M | A | -1.1919 | |
| 574 | I | A | 0.0000 | |
| 575 | K | A | -2.0483 | |
| 576 | S | A | -1.6380 | |
| 577 | K | A | -2.2955 | |
| 578 | E | A | -1.5954 | |
| 579 | I | A | 0.0000 | |
| 580 | P | A | -0.2346 | |
| 581 | T | A | 0.5987 | |
| 582 | Y | A | 1.7938 | |
| 583 | Q | A | 0.0000 | |
| 584 | A | A | 0.0000 | |
| 585 | T | A | 1.4505 | |
| 586 | Y | A | 1.5780 | |
| 587 | L | A | 0.0000 | |
| 588 | L | A | 0.0000 | |
| 589 | M | A | 1.0586 | |
| 590 | L | A | 0.6766 | |
| 591 | L | A | 0.0000 | |
| 592 | P | A | 0.0000 | |
| 593 | H | A | -0.4130 | |
| 594 | H | A | -0.2893 | |
| 595 | I | A | 0.0000 | |
| 596 | I | A | 0.0000 | |
| 597 | T | A | 0.0000 | |
| 598 | P | A | 0.0000 | |
| 599 | T | A | 0.0000 | |
| 600 | K | A | -2.2103 | |
| 601 | E | A | -1.3071 | |
| 602 | V | A | 0.0000 | |
| 603 | F | A | 0.0000 | |
| 604 | T | A | -0.9964 | |
| 605 | S | A | 0.0000 | |
| 606 | L | A | 0.0000 | |
| 607 | L | A | -0.9340 | |
| 608 | E | A | -2.0536 | |
| 609 | I | A | 0.0000 | |
| 610 | I | A | 0.0000 | |
| 611 | Q | A | -1.8225 | |
| 612 | S | A | 0.0000 | |
| 613 | E | A | -2.0715 | |
| 614 | I | A | -1.2208 | |
| 615 | V | A | 0.0000 | |
| 616 | I | A | -0.1161 | |
| 617 | S | A | -0.2321 | |
| 618 | N | A | 0.1286 | |
| 619 | T | A | 0.5338 | |
| 620 | I | A | 1.8265 | |
| 621 | L | A | 0.0000 | |
| 622 | Y | A | 0.0000 | |
| 623 | N | A | 0.4450 | |
| 624 | T | A | 0.9557 | |
| 625 | A | A | 0.0000 | |
| 626 | I | A | 0.0000 | |
| 627 | L | A | 0.5092 | |
| 628 | S | A | 0.0000 | |
| 629 | M | A | 0.0000 | |
| 630 | S | A | 0.0000 | |
| 631 | N | A | -0.4473 | |
| 632 | L | A | 0.0000 | |
| 633 | V | A | 0.0000 | |
| 634 | E | A | -0.8402 | |
| 635 | K | A | -1.1312 | |
| 636 | T | A | 0.0000 | |
| 637 | C | A | 0.0000 | |
| 638 | L | A | -0.8862 | |
| 639 | D | A | -2.0258 | |
| 640 | K | A | -2.6106 | |
| 641 | S | A | 0.0000 | |
| 642 | R | A | -1.4985 | |
| 643 | Q | A | -1.4353 | |
| 644 | V | A | 0.0000 | |
| 645 | S | A | 0.0000 | |
| 646 | Y | A | 0.0000 | |
| 647 | P | A | 0.0000 | |
| 648 | T | A | 0.0000 | |
| 649 | A | A | -0.4832 | |
| 650 | V | A | 0.0000 | |
| 651 | F | A | 0.0000 | |
| 652 | G | A | -0.9831 | |
| 653 | Q | A | -1.2605 | |
| 654 | F | A | -0.8587 | |
| 655 | C | A | 0.0000 | |
| 656 | D | A | -1.2327 | |
| 657 | A | A | -1.3296 | |
| 658 | Q | A | -1.9816 | |
| 659 | S | A | -2.0171 | |
| 660 | E | A | -3.2930 | |
| 661 | I | A | 0.0000 | |
| 662 | V | A | 0.0000 | |
| 663 | T | A | -2.3819 | |
| 664 | E | A | -3.1599 | |
| 665 | K | A | -2.3697 | |
| 666 | W | A | 0.0000 | |
| 667 | I | A | 0.0000 | |
| 668 | P | A | -1.4012 | |
| 669 | Y | A | -0.9551 | |
| 670 | L | A | 0.0000 | |
| 671 | T | A | -1.2412 | |
| 672 | K | A | -2.0493 | |
| 673 | A | A | -1.2327 | |
| 674 | V | A | 0.0000 | |
| 675 | Q | A | -1.7550 | |
| 676 | T | A | -1.1582 | |
| 677 | A | A | -1.1417 | |
| 678 | P | A | -0.9609 | |
| 679 | T | A | -0.9140 | |
| 680 | A | A | -0.8524 | |
| 681 | D | A | -1.7705 | |
| 682 | R | A | -0.9081 | |
| 683 | R | A | 0.0000 | |
| 684 | N | A | -0.5028 | |
| 685 | A | A | -0.2154 | |
| 686 | I | A | 0.0000 | |
| 687 | I | A | 0.0000 | |
| 688 | M | A | 0.4296 | |
| 689 | A | A | 0.0000 | |
| 690 | L | A | 0.0000 | |
| 691 | G | A | 0.0000 | |
| 692 | A | A | -0.0903 | |
| 693 | L | A | 0.0000 | |
| 694 | K | A | -1.0398 | |
| 695 | H | A | -1.4049 | |
| 696 | K | A | -2.1283 | |
| 697 | D | A | -2.0442 | |
| 698 | I | A | 0.0000 | |
| 699 | I | A | 0.0000 | |
| 700 | P | A | -0.6802 | |
| 701 | A | A | -0.6697 | |
| 702 | L | A | 0.0000 | |
| 703 | L | A | -0.3431 | |
| 704 | P | A | -1.0608 | |
| 705 | L | A | 0.0000 | |
| 706 | V | A | 0.0000 | |
| 707 | E | A | -2.2094 | |
| 708 | G | A | -1.6786 | |
| 709 | H | A | -1.5626 | |
| 710 | G | A | -1.0699 | |
| 711 | P | A | -0.7224 | |
| 712 | I | A | -0.1278 | |
| 713 | E | A | -0.8996 | |
| 714 | Q | A | -1.5122 | |
| 715 | G | A | -1.0445 | |
| 716 | S | A | -0.3610 | |
| 717 | G | A | 0.0445 | |
| 718 | V | A | 1.3448 | |
| 719 | A | A | 0.4710 | |
| 720 | F | A | 0.0000 | |
| 721 | P | A | 0.1601 | |
| 722 | N | A | -0.7953 | |
| 723 | I | A | 0.9654 | |
| 724 | S | A | 0.0000 | |
| 725 | R | A | -0.6881 | |
| 726 | T | A | 0.0000 | |
| 727 | L | A | 0.6272 | |
| 728 | S | A | 0.0000 | |
| 729 | I | A | 0.0000 | |
| 730 | Y | A | 0.3994 | |
| 731 | A | A | 0.0000 | |
| 732 | I | A | 0.0000 | |
| 733 | G | A | 0.0000 | |
| 734 | N | A | -0.6330 | |
| 735 | V | A | 0.0000 | |
| 736 | R | A | -1.1343 | |
| 737 | V | A | -0.5475 | |
| 738 | H | A | -1.0195 | |
| 739 | H | A | -1.3217 | |
| 740 | P | A | -1.1971 | |
| 741 | E | A | -1.8410 | |
| 742 | L | A | -0.8157 | |
| 743 | V | A | 0.0000 | |
| 744 | L | A | -0.3031 | |
| 745 | P | A | -0.2541 | |
| 746 | I | A | 0.1637 | |
| 747 | I | A | 0.0000 | |
| 748 | L | A | -0.0262 | |
| 749 | S | A | -0.3180 | |
| 750 | V | A | 0.0000 | |
| 751 | Y | A | 0.0000 | |
| 752 | S | A | -0.5862 | |
| 753 | N | A | -1.0053 | |
| 754 | P | A | -1.1883 | |
| 755 | A | A | -0.6088 | |
| 756 | E | A | -1.2559 | |
| 757 | N | A | -1.4741 | |
| 758 | T | A | -1.4548 | |
| 759 | Q | A | -1.3353 | |
| 760 | L | A | 0.0000 | |
| 761 | R | A | 0.0000 | |
| 762 | I | A | -0.7641 | |
| 763 | A | A | 0.0000 | |
| 764 | A | A | 0.0000 | |
| 765 | F | A | 0.0000 | |
| 766 | N | A | -0.7458 | |
| 767 | M | A | 0.0000 | |
| 768 | L | A | 0.0000 | |
| 769 | V | A | -0.5833 | |
| 770 | N | A | -1.6325 | |
| 771 | M | A | -0.7276 | |
| 772 | N | A | -0.9055 | |
| 773 | P | A | 0.0000 | |
| 774 | P | A | -0.4750 | |
| 775 | M | A | -0.5190 | |
| 776 | N | A | -1.5004 | |
| 777 | I | A | -0.7745 | |
| 778 | I | A | 0.0000 | |
| 779 | Q | A | -0.9256 | |
| 780 | K | A | -1.2821 | |
| 781 | I | A | 0.0000 | |
| 782 | A | A | 0.0000 | |
| 783 | A | A | 0.0727 | |
| 784 | M | A | -0.1410 | |
| 785 | T | A | 0.0000 | |
| 786 | W | A | 0.5589 | |
| 787 | S | A | -0.2499 | |
| 788 | E | A | -1.2378 | |
| 789 | K | A | -2.0982 | |
| 790 | N | A | -1.9606 | |
| 791 | T | A | -1.9528 | |
| 792 | E | A | -2.7656 | |
| 793 | V | A | 0.0000 | |
| 794 | L | A | 0.0000 | |
| 795 | K | A | -2.3489 | |
| 796 | K | A | -1.6621 | |
| 797 | T | A | 0.0000 | |
| 798 | Y | A | 0.0000 | |
| 799 | T | A | -0.6940 | |
| 800 | G | A | -0.3728 | |
| 801 | F | A | 0.0000 | |
| 802 | Y | A | -0.6330 | |
| 803 | T | A | -0.5616 | |
| 804 | L | A | -0.7673 | |
| 805 | S | A | 0.0000 | |
| 806 | R | A | -2.2010 | |
| 807 | S | A | -1.4297 | |
| 808 | V | A | -1.6241 | |
| 809 | D | A | -2.0424 | |
| 810 | I | A | -1.2360 | |
| 811 | S | A | -1.0343 | |
| 812 | N | A | -1.6345 | |
| 813 | L | A | -0.3725 | |
| 814 | E | A | -1.8390 | |
| 815 | D | A | -1.9070 | |
| 816 | T | A | -1.2255 | |
| 817 | S | A | -1.2654 | |
| 818 | P | A | -1.5081 | |
| 819 | E | A | -2.2648 | |
| 820 | S | A | 0.0000 | |
| 821 | T | A | -0.8963 | |
| 822 | L | A | 0.0000 | |
| 823 | A | A | 0.0000 | |
| 824 | K | A | -0.5419 | |
| 825 | K | A | -0.5126 | |
| 826 | T | A | 0.0000 | |
| 827 | Q | A | -0.2378 | |
| 828 | L | A | 1.1885 | |
| 829 | V | A | 0.0000 | |
| 830 | V | A | 0.2480 | |
| 831 | P | A | 0.2786 | |
| 832 | L | A | 0.9900 | |
| 833 | M | A | 0.0000 | |
| 834 | R | A | -0.9589 | |
| 835 | K | A | -1.8951 | |
| 836 | T | A | 0.0000 | |
| 837 | S | A | -0.7302 | |
| 838 | G | A | -0.4162 | |
| 839 | V | A | 0.0727 | |
| 840 | L | A | 0.9051 | |
| 841 | Q | A | -0.5556 | |
| 842 | G | A | -0.6953 | |
| 843 | G | A | -0.7329 | |
| 844 | S | A | -0.6458 | |
| 845 | G | A | -0.4369 | |
| 846 | V | A | 0.8052 | |
| 847 | E | A | -0.9081 | |
| 848 | M | A | -0.1584 | |
| 849 | S | A | -1.5151 | |
| 850 | D | A | -2.8774 | |
| 851 | Q | A | -3.0943 | |
| 852 | E | A | -3.3803 | |
| 853 | A | A | -2.3304 | |
| 854 | K | A | -2.5642 | |
| 855 | P | A | -1.6145 | |
| 856 | S | A | -1.6615 | |
| 857 | T | A | -1.6259 | |
| 858 | E | A | -2.4182 | |
| 859 | D | A | -2.3923 | |
| 860 | L | A | -0.8153 | |
| 861 | G | A | -2.2041 | |
| 862 | D | A | -3.5457 | |
| 863 | K | A | -3.9191 | |
| 864 | E | A | -4.4810 | |
| 865 | E | A | -3.9773 | |
| 866 | G | A | -2.6314 | |
| 867 | E | A | -2.6158 | |
| 868 | Y | A | -1.3202 | |
| 869 | I | A | 0.0000 | |
| 870 | K | A | -2.5543 | |
| 871 | L | A | 0.0000 | |
| 872 | K | A | -1.6071 | |
| 873 | V | A | 0.0000 | |
| 874 | I | A | -0.8926 | |
| 875 | G | A | 0.0000 | |
| 876 | Q | A | -2.4207 | |
| 877 | D | A | -2.5566 | |
| 878 | S | A | -1.7950 | |
| 879 | S | A | -1.4829 | |
| 880 | E | A | -1.7163 | |
| 881 | I | A | -0.6676 | |
| 882 | H | A | -1.3965 | |
| 883 | F | A | -1.3859 | |
| 884 | K | A | -2.1884 | |
| 885 | V | A | 0.0000 | |
| 886 | K | A | -1.5962 | |
| 887 | M | A | -1.9271 | |
| 888 | T | A | -1.2766 | |
| 889 | T | A | -1.3000 | |
| 890 | H | A | -2.5549 | |
| 891 | L | A | 0.0000 | |
| 892 | K | A | -3.0144 | |
| 893 | K | A | -3.1902 | |
| 894 | L | A | 0.0000 | |
| 895 | K | A | 0.0000 | |
| 896 | E | A | -3.4905 | |
| 897 | S | A | -2.5546 | |
| 898 | Y | A | 0.0000 | |
| 899 | C | A | 0.0000 | |
| 900 | Q | A | -2.9086 | |
| 901 | R | A | -3.0741 | |
| 902 | Q | A | -2.3089 | |
| 903 | G | A | -1.6401 | |
| 904 | V | A | -1.1843 | |
| 905 | P | A | -1.0225 | |
| 906 | M | A | -1.3530 | |
| 907 | N | A | -1.8388 | |
| 908 | S | A | -1.5577 | |
| 909 | L | A | 0.0000 | |
| 910 | T | A | -1.5792 | |
| 911 | F | A | 0.0000 | |
| 912 | L | A | -1.6254 | |
| 913 | F | A | 0.0000 | |
| 914 | E | A | -2.6501 | |
| 915 | G | A | -2.3863 | |
| 916 | Q | A | -2.7766 | |
| 917 | R | A | -2.8559 | |
| 918 | I | A | 0.0000 | |
| 919 | A | A | -1.6098 | |
| 920 | D | A | -2.5639 | |
| 921 | N | A | -2.5254 | |
| 922 | H | A | -2.2662 | |
| 923 | T | A | 0.0000 | |
| 924 | P | A | 0.0000 | |
| 925 | K | A | -3.2925 | |
| 926 | E | A | -2.9185 | |
| 927 | L | A | -1.9924 | |
| 928 | G | A | -1.9821 | |
| 929 | M | A | 0.0000 | |
| 930 | E | A | -3.2230 | |
| 931 | E | A | -3.5041 | |
| 932 | E | A | -3.4365 | |
| 933 | D | A | -2.4698 | |
| 934 | V | A | -1.1398 | |
| 935 | I | A | 0.0000 | |
| 936 | E | A | -1.5388 | |
| 937 | V | A | 0.0000 | |
| 938 | Y | A | -1.2997 | |
| 939 | Q | A | -2.3665 | |
| 940 | E | A | -2.8790 | |
| 941 | Q | A | -2.4561 | |
| 942 | T | A | -1.9397 | |
| 943 | G | A | -1.5937 | |
| 944 | G | A | -1.4839 | |
| 945 | H | A | -1.2301 | |
| 946 | S | A | -0.4503 | |
| 947 | T | A | 0.1062 | |
| 948 | V | A | 1.1290 | |
| 949 | G | A | -0.0099 | |
| 950 | G | A | -0.1707 | |
| 951 | S | A | -0.2719 | |
| 952 | G | A | -0.5760 | |
| 953 | V | A | 0.1061 | |
| 954 | E | A | -2.0375 | |
| 955 | H | A | -2.3249 | |
| 956 | H | A | -2.6774 | |
| 957 | H | A | -2.8935 | |
| 958 | H | A | -2.6794 | |
| 959 | H | A | -2.3588 | |
| 960 | H | A | -1.8970 |
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 | -0.7941 | 2.925 | View | CSV | PDB |
| 4.5 | -0.8645 | 2.8806 | View | CSV | PDB |
| 5.0 | -0.9509 | 2.8324 | View | CSV | PDB |
| 5.5 | -1.0342 | 2.783 | View | CSV | PDB |
| 6.0 | -1.0933 | 2.7331 | View | CSV | PDB |
| 6.5 | -1.1158 | 2.6833 | View | CSV | PDB |
| 7.0 | -1.1046 | 2.6338 | View | CSV | PDB |
| 7.5 | -1.0722 | 2.6962 | View | CSV | PDB |
| 8.0 | -1.0284 | 2.7944 | View | CSV | PDB |
| 8.5 | -0.9773 | 2.9042 | View | CSV | PDB |
| 9.0 | -0.9196 | 3.0258 | 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