| Chain sequence(s) |
A: HHHHHHMSDQEAKPSTEDLGDKEEGEYIKLKVIGQDSSEIHFKVKMTTHLKKLKESYCQRQGVPMNSLTFLFEGQRIADNHTPKELGMEEEDVIEVYQEQTGGHSTVWQAGKEHIFHYTGRLLSGIPGLRPHFSGIGIETEVHLQVKSLEDIRLNLRQVNYTQVNGPLSPGLPHVTSSYEGSNWRYVLLPQFTQAPIDIKKLLKVPITFAIHDGEIKTITVSGTEQEWSLNFKKALVALFQTKMETSTLDLEMNTIVKDSDSTKNYWKVSEETIEGVCDVIYQVNELPEYIVKERAHYFPHLEACTSKKFYEITKTKEIDSCKKSAVYTFMKPAVKAESCNSFKCLSNTFGSASSMTRYYACGPRSNWILQTIVNEGEIVQRPVGVKSETITTGTRQVLKLRTIQPISSEVPKPPQPRTTESIMYEYINAGQVSRQQIGIIPKIPQSELKSGEIYKYLPRHFNPAPSSTESKQHLSATKIKAELKSYIISIIDDLSSVEELAQKEIPLRLTTFIRGMTLLKVEDIKSLYTDLKSTVYSPAHSNQEKISMFHNIFFDAVMVSGTTPAVLFLKDMIKSKEIPTYQATYLLMLLPHHIITPTKEVFTSLLEIIQSEIVISNTILYNTAILSMSNLVEKTCLDKSRQVSYPTAVFGQFCDAQSEIVTEKWIPYLTKAVQTAPTADRRNAIIMALGALKHKDIIPALLPLVEGHGPIEQGSGVAFPNISRTLSIYAIGNVRVHHPELVLPIILSVYSNPAENTQLRIAAFNMLVNMNPPMNIIQKIAAMTWSEKNTEVLKKTYTGFYTLSRSVDISNLEDTSPESTLAKKTQLVVPLMRKTSGVLQGGSGVEHHHHHH
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] (00:00:01)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:01)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with A chain(s) selected (00:00:01)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:01)
[INFO] PDB-Info: The input structure is globular. Max score is recommended for pH analysis. (00:00:07)
[INFO] FoldX: Starting FoldX energy minimization (00:00:07)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:26:14)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/e1c8bb7bfb53096/tmp/folded.pdb (00:26:14)
[INFO] Main: Simulation completed successfully. (00:39:12)
|
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 | -1.8652 | |
| 2 | H | A | -2.3560 | |
| 3 | H | A | -2.6353 | |
| 4 | H | A | -2.4865 | |
| 5 | H | A | -2.0932 | |
| 6 | H | A | -1.6639 | |
| 7 | M | A | -0.5896 | |
| 8 | S | A | -1.5955 | |
| 9 | D | A | -2.8472 | |
| 10 | Q | A | -3.0999 | |
| 11 | E | A | -3.4555 | |
| 12 | A | A | -2.3632 | |
| 13 | K | A | -2.5671 | |
| 14 | P | A | -1.7177 | |
| 15 | S | A | -1.6798 | |
| 16 | T | A | -1.6567 | |
| 17 | E | A | -2.5470 | |
| 18 | D | A | -2.3795 | |
| 19 | L | A | -0.6892 | |
| 20 | G | A | -2.2402 | |
| 21 | D | A | -3.4787 | |
| 22 | K | A | -3.9241 | |
| 23 | E | A | -4.3344 | |
| 24 | E | A | -3.8755 | |
| 25 | G | A | -2.3040 | |
| 26 | E | A | -2.4176 | |
| 27 | Y | A | -1.3954 | |
| 28 | I | A | 0.0000 | |
| 29 | K | A | -2.7803 | |
| 30 | L | A | 0.0000 | |
| 31 | K | A | -1.6562 | |
| 32 | V | A | 0.0000 | |
| 33 | I | A | -0.7834 | |
| 34 | G | A | -1.6236 | |
| 35 | Q | A | -2.3537 | |
| 36 | D | A | -2.5560 | |
| 37 | S | A | -1.6936 | |
| 38 | S | A | -1.3383 | |
| 39 | E | A | -1.3904 | |
| 40 | I | A | -0.7219 | |
| 41 | H | A | -1.6592 | |
| 42 | F | A | -1.5430 | |
| 43 | K | A | -2.4495 | |
| 44 | V | A | 0.0000 | |
| 45 | K | A | -1.5185 | |
| 46 | M | A | -2.5498 | |
| 47 | T | A | -1.5791 | |
| 48 | T | A | -1.2870 | |
| 49 | H | A | -2.5318 | |
| 50 | L | A | 0.0000 | |
| 51 | K | A | -2.8447 | |
| 52 | K | A | -3.0023 | |
| 53 | L | A | 0.0000 | |
| 54 | K | A | 0.0000 | |
| 55 | E | A | -3.0595 | |
| 56 | S | A | -2.3028 | |
| 57 | Y | A | 0.0000 | |
| 58 | C | A | 0.0000 | |
| 59 | Q | A | -2.8041 | |
| 60 | R | A | -3.0198 | |
| 61 | Q | A | -2.2934 | |
| 62 | G | A | -1.6812 | |
| 63 | V | A | -1.1771 | |
| 64 | P | A | -0.9975 | |
| 65 | M | A | -1.2460 | |
| 66 | N | A | -1.5554 | |
| 67 | S | A | -1.1580 | |
| 68 | L | A | 0.0000 | |
| 69 | T | A | 0.0000 | |
| 70 | F | A | 0.0000 | |
| 71 | L | A | 0.0000 | |
| 72 | F | A | 0.0000 | |
| 73 | E | A | -2.1527 | |
| 74 | G | A | -1.3413 | |
| 75 | Q | A | -1.1514 | |
| 76 | R | A | -1.0189 | |
| 77 | I | A | 0.0000 | |
| 78 | A | A | -1.2422 | |
| 79 | D | A | -2.4692 | |
| 80 | N | A | -2.5682 | |
| 81 | H | A | -2.1242 | |
| 82 | T | A | -2.1546 | |
| 83 | P | A | 0.0000 | |
| 84 | K | A | -3.3264 | |
| 85 | E | A | -2.8996 | |
| 86 | L | A | -1.8789 | |
| 87 | G | A | -1.9591 | |
| 88 | M | A | 0.0000 | |
| 89 | E | A | -3.3515 | |
| 90 | E | A | -3.6124 | |
| 91 | E | A | -3.6060 | |
| 92 | D | A | -2.4361 | |
| 93 | V | A | -0.9518 | |
| 94 | I | A | 0.0000 | |
| 95 | E | A | -0.9746 | |
| 96 | V | A | 0.0000 | |
| 97 | Y | A | -1.0329 | |
| 98 | Q | A | -1.6035 | |
| 99 | E | A | -1.8292 | |
| 100 | Q | A | -1.9081 | |
| 101 | T | A | -1.2093 | |
| 102 | G | A | -1.3743 | |
| 103 | G | A | -1.3098 | |
| 104 | H | A | 0.0000 | |
| 105 | S | A | -0.9170 | |
| 106 | T | A | -0.2019 | |
| 107 | V | A | 0.1289 | |
| 108 | W | A | 0.0000 | |
| 109 | Q | A | 0.0000 | |
| 110 | A | A | -0.3434 | |
| 111 | G | A | -1.1417 | |
| 112 | K | A | -0.9786 | |
| 113 | E | A | 0.0000 | |
| 114 | H | A | 0.0000 | |
| 115 | I | A | -0.4709 | |
| 116 | F | A | 0.0000 | |
| 117 | H | A | -0.9981 | |
| 118 | Y | A | 0.0000 | |
| 119 | T | A | -0.2953 | |
| 120 | G | A | 0.0650 | |
| 121 | R | A | 0.0528 | |
| 122 | L | A | 0.5408 | |
| 123 | L | A | 0.0000 | |
| 124 | S | A | 0.2136 | |
| 125 | G | A | -0.2303 | |
| 126 | I | A | -0.0558 | |
| 127 | P | A | -0.9435 | |
| 128 | G | A | -1.0674 | |
| 129 | L | A | -0.4865 | |
| 130 | R | A | -1.7895 | |
| 131 | P | A | -1.5593 | |
| 132 | H | A | -1.6255 | |
| 133 | F | A | 0.0000 | |
| 134 | S | A | -0.8807 | |
| 135 | G | A | -0.3514 | |
| 136 | I | A | 0.0836 | |
| 137 | G | A | 0.0000 | |
| 138 | I | A | 0.2261 | |
| 139 | E | A | -0.7143 | |
| 140 | T | A | 0.0000 | |
| 141 | E | A | -1.7529 | |
| 142 | V | A | 0.0000 | |
| 143 | H | A | -0.3941 | |
| 144 | L | A | 0.0000 | |
| 145 | Q | A | 0.0000 | |
| 146 | V | A | 0.0000 | |
| 147 | K | A | -1.5223 | |
| 148 | S | A | -0.9269 | |
| 149 | L | A | -0.8334 | |
| 150 | E | A | -2.1311 | |
| 151 | D | A | -1.3197 | |
| 152 | I | A | 0.0000 | |
| 153 | R | A | 0.0000 | |
| 154 | L | A | 0.0000 | |
| 155 | N | A | 0.0000 | |
| 156 | L | A | 0.0000 | |
| 157 | R | A | -2.5739 | |
| 158 | Q | A | -2.4807 | |
| 159 | V | A | 0.0000 | |
| 160 | N | A | -1.0520 | |
| 161 | Y | A | -0.2291 | |
| 162 | T | A | 0.0000 | |
| 163 | Q | A | -1.2375 | |
| 164 | V | A | 0.0000 | |
| 165 | N | A | -1.9475 | |
| 166 | G | A | -1.5962 | |
| 167 | P | A | -1.1555 | |
| 168 | L | A | -0.4148 | |
| 169 | S | A | -0.0026 | |
| 170 | P | A | -0.3608 | |
| 171 | G | A | 0.3183 | |
| 172 | L | A | 0.3620 | |
| 173 | P | A | -0.5520 | |
| 174 | H | A | -0.8541 | |
| 175 | V | A | -0.1761 | |
| 176 | T | A | -0.5631 | |
| 177 | S | A | -0.5283 | |
| 178 | S | A | -0.2291 | |
| 179 | Y | A | 0.0993 | |
| 180 | E | A | -1.6385 | |
| 181 | G | A | -1.3830 | |
| 182 | S | A | -1.2553 | |
| 183 | N | A | -0.6541 | |
| 184 | W | A | 0.0000 | |
| 185 | R | A | -0.0788 | |
| 186 | Y | A | 0.3550 | |
| 187 | V | A | 0.0000 | |
| 188 | L | A | 1.3610 | |
| 189 | L | A | 0.5153 | |
| 190 | P | A | -0.2045 | |
| 191 | Q | A | -0.8424 | |
| 192 | F | A | -0.3905 | |
| 193 | T | A | -0.7722 | |
| 194 | Q | A | -1.0322 | |
| 195 | A | A | 0.0000 | |
| 196 | P | A | -0.1315 | |
| 197 | I | A | 0.5209 | |
| 198 | D | A | -1.3663 | |
| 199 | I | A | -0.6745 | |
| 200 | K | A | -1.7040 | |
| 201 | K | A | -2.1775 | |
| 202 | L | A | -1.1957 | |
| 203 | L | A | 0.0000 | |
| 204 | K | A | -2.2415 | |
| 205 | V | A | -1.0035 | |
| 206 | P | A | 0.0000 | |
| 207 | I | A | 0.0000 | |
| 208 | T | A | 0.0000 | |
| 209 | F | A | 0.0000 | |
| 210 | A | A | -1.6909 | |
| 211 | I | A | 0.0000 | |
| 212 | H | A | -2.6070 | |
| 213 | D | A | -2.8151 | |
| 214 | G | A | -1.9352 | |
| 215 | E | A | -2.3674 | |
| 216 | I | A | 0.0000 | |
| 217 | K | A | -3.0154 | |
| 218 | T | A | -2.0440 | |
| 219 | I | A | 0.0000 | |
| 220 | T | A | -1.3252 | |
| 221 | V | A | 0.0000 | |
| 222 | S | A | 0.0000 | |
| 223 | G | A | -1.8172 | |
| 224 | T | A | -1.1867 | |
| 225 | E | A | -1.1925 | |
| 226 | Q | A | -1.0403 | |
| 227 | E | A | -0.5483 | |
| 228 | W | A | 0.1625 | |
| 229 | S | A | 0.0000 | |
| 230 | L | A | -0.2204 | |
| 231 | N | A | 0.1031 | |
| 232 | F | A | 0.4244 | |
| 233 | K | A | 0.0000 | |
| 234 | K | A | 0.0000 | |
| 235 | A | A | 0.0000 | |
| 236 | L | A | 0.0000 | |
| 237 | V | A | 0.0000 | |
| 238 | A | A | -0.0605 | |
| 239 | L | A | 0.0000 | |
| 240 | F | A | 0.0000 | |
| 241 | Q | A | 0.0000 | |
| 242 | T | A | 0.0000 | |
| 243 | K | A | -1.4519 | |
| 244 | M | A | 0.0000 | |
| 245 | E | A | -1.6404 | |
| 246 | T | A | -1.0804 | |
| 247 | S | A | -0.6755 | |
| 248 | T | A | -0.5167 | |
| 249 | L | A | 0.0234 | |
| 250 | D | A | -1.5776 | |
| 251 | L | A | -0.8545 | |
| 252 | E | A | -1.8992 | |
| 253 | M | A | -0.3736 | |
| 254 | N | A | -0.6621 | |
| 255 | T | A | 0.6617 | |
| 256 | I | A | 1.8988 | |
| 257 | V | A | 1.0101 | |
| 258 | K | A | -1.4414 | |
| 259 | D | A | -2.5570 | |
| 260 | S | A | -2.1632 | |
| 261 | D | A | -2.7492 | |
| 262 | S | A | -2.2320 | |
| 263 | T | A | -2.0406 | |
| 264 | K | A | -2.5445 | |
| 265 | N | A | -2.3842 | |
| 266 | Y | A | -0.9348 | |
| 267 | W | A | 0.0000 | |
| 268 | K | A | -0.4842 | |
| 269 | V | A | -0.3540 | |
| 270 | S | A | -0.8869 | |
| 271 | E | A | 0.0000 | |
| 272 | E | A | -1.0612 | |
| 273 | T | A | 0.0000 | |
| 274 | I | A | 0.1890 | |
| 275 | E | A | -0.3630 | |
| 276 | G | A | 0.0000 | |
| 277 | V | A | -1.0456 | |
| 278 | C | A | 0.0000 | |
| 279 | D | A | -1.3758 | |
| 280 | V | A | 0.0000 | |
| 281 | I | A | -0.4027 | |
| 282 | Y | A | 0.0000 | |
| 283 | Q | A | -1.3924 | |
| 284 | V | A | 0.0000 | |
| 285 | N | A | -2.5850 | |
| 286 | E | A | -2.9665 | |
| 287 | L | A | -1.7274 | |
| 288 | P | A | -1.4051 | |
| 289 | E | A | -2.3022 | |
| 290 | Y | A | -0.4479 | |
| 291 | I | A | -1.0029 | |
| 292 | V | A | 0.0000 | |
| 293 | K | A | -2.7907 | |
| 294 | E | A | -3.0453 | |
| 295 | R | A | -2.6345 | |
| 296 | A | A | -1.8034 | |
| 297 | H | A | -1.7897 | |
| 298 | Y | A | -1.0543 | |
| 299 | F | A | 0.0000 | |
| 300 | P | A | -0.9689 | |
| 301 | H | A | -0.8590 | |
| 302 | L | A | -0.7223 | |
| 303 | E | A | -1.5581 | |
| 304 | A | A | -0.7120 | |
| 305 | C | A | -0.9054 | |
| 306 | T | A | -0.9599 | |
| 307 | S | A | -1.1732 | |
| 308 | K | A | -2.3830 | |
| 309 | K | A | -2.3682 | |
| 310 | F | A | 0.0000 | |
| 311 | Y | A | 0.0000 | |
| 312 | E | A | -1.3613 | |
| 313 | I | A | 0.0000 | |
| 314 | T | A | -0.5172 | |
| 315 | K | A | 0.0000 | |
| 316 | T | A | -0.6506 | |
| 317 | K | A | -1.2061 | |
| 318 | E | A | -2.3076 | |
| 319 | I | A | 0.0000 | |
| 320 | D | A | -2.5165 | |
| 321 | S | A | -2.0308 | |
| 322 | C | A | -2.2146 | |
| 323 | K | A | -2.8395 | |
| 324 | K | A | -2.6176 | |
| 325 | S | A | -1.4457 | |
| 326 | A | A | -0.1882 | |
| 327 | V | A | 0.8349 | |
| 328 | Y | A | 1.7673 | |
| 329 | T | A | 1.3050 | |
| 330 | F | A | 2.2226 | |
| 331 | M | A | 0.8989 | |
| 332 | K | A | -0.3763 | |
| 333 | P | A | -0.1361 | |
| 334 | A | A | -0.3887 | |
| 335 | V | A | -0.1515 | |
| 336 | K | A | -1.7226 | |
| 337 | A | A | -1.3768 | |
| 338 | E | A | -2.0607 | |
| 339 | S | A | -0.7654 | |
| 340 | C | A | 0.0000 | |
| 341 | N | A | -1.2264 | |
| 342 | S | A | -1.4048 | |
| 343 | F | A | -1.4549 | |
| 344 | K | A | -2.5137 | |
| 345 | C | A | -1.4044 | |
| 346 | L | A | -0.7078 | |
| 347 | S | A | -1.1092 | |
| 348 | N | A | -1.5647 | |
| 349 | T | A | -1.0134 | |
| 350 | F | A | -0.0266 | |
| 351 | G | A | -0.3754 | |
| 352 | S | A | -0.5488 | |
| 353 | A | A | -0.2590 | |
| 354 | S | A | -0.5191 | |
| 355 | S | A | 0.0000 | |
| 356 | M | A | -0.3348 | |
| 357 | T | A | 0.0000 | |
| 358 | R | A | -0.4409 | |
| 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 | -0.7392 | |
| 365 | R | A | -0.7430 | |
| 366 | S | A | -0.8251 | |
| 367 | N | A | 0.0000 | |
| 368 | W | A | 0.0000 | |
| 369 | I | A | 0.2755 | |
| 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 | -0.3130 | |
| 376 | E | A | -0.5723 | |
| 377 | G | A | -0.1105 | |
| 378 | E | A | 0.1236 | |
| 379 | I | A | 1.0507 | |
| 380 | V | A | 0.4572 | |
| 381 | Q | A | -0.3809 | |
| 382 | R | A | -1.0248 | |
| 383 | P | A | 0.0333 | |
| 384 | V | A | 0.9542 | |
| 385 | G | A | 0.2940 | |
| 386 | V | A | 0.6670 | |
| 387 | K | A | -1.1928 | |
| 388 | S | A | -1.0636 | |
| 389 | E | A | -1.6356 | |
| 390 | T | A | -0.5486 | |
| 391 | I | A | 0.2132 | |
| 392 | T | A | 0.0000 | |
| 393 | T | A | 0.6169 | |
| 394 | G | A | 0.0000 | |
| 395 | T | A | 0.0174 | |
| 396 | R | A | -0.3751 | |
| 397 | Q | A | 0.0000 | |
| 398 | V | A | -0.1572 | |
| 399 | L | A | 0.0000 | |
| 400 | K | A | -0.9640 | |
| 401 | L | A | 0.0000 | |
| 402 | R | A | -1.4018 | |
| 403 | T | A | -0.6311 | |
| 404 | I | A | -0.4175 | |
| 405 | Q | A | -1.2399 | |
| 406 | P | A | -0.9567 | |
| 407 | I | A | -0.8377 | |
| 408 | S | A | -0.8573 | |
| 409 | S | A | -1.1641 | |
| 410 | E | A | -2.2480 | |
| 411 | V | A | 0.0000 | |
| 412 | P | A | -1.3181 | |
| 413 | K | A | -1.7399 | |
| 414 | P | A | 0.0000 | |
| 415 | P | A | -1.5277 | |
| 416 | Q | A | -2.2044 | |
| 417 | P | A | -2.2006 | |
| 418 | R | A | -2.4883 | |
| 419 | T | A | -1.4720 | |
| 420 | T | A | -1.5918 | |
| 421 | E | A | -2.3035 | |
| 422 | S | A | -1.2662 | |
| 423 | I | A | 0.0000 | |
| 424 | M | A | -0.1697 | |
| 425 | Y | A | 0.6385 | |
| 426 | E | A | -0.1386 | |
| 427 | Y | A | 0.6567 | |
| 428 | I | A | 0.3483 | |
| 429 | N | A | -0.8484 | |
| 430 | A | A | -0.0908 | |
| 431 | G | A | -0.8571 | |
| 432 | Q | A | -1.4557 | |
| 433 | V | A | -0.4092 | |
| 434 | S | A | -1.7015 | |
| 435 | R | A | -2.5899 | |
| 436 | Q | A | -2.2585 | |
| 437 | Q | A | -1.3115 | |
| 438 | I | A | 0.1166 | |
| 439 | G | A | 0.1228 | |
| 440 | I | A | 1.7150 | |
| 441 | I | A | 1.5071 | |
| 442 | P | A | 0.2058 | |
| 443 | K | A | -1.4867 | |
| 444 | I | A | 0.0000 | |
| 445 | P | A | -1.6838 | |
| 446 | Q | A | -2.1909 | |
| 447 | S | A | -1.7224 | |
| 448 | E | A | -1.7477 | |
| 449 | L | A | -1.5333 | |
| 450 | K | A | -2.5696 | |
| 451 | S | A | -1.8171 | |
| 452 | G | A | -1.4736 | |
| 453 | E | A | -1.1739 | |
| 454 | I | A | 0.0000 | |
| 455 | Y | A | -0.3313 | |
| 456 | K | A | -1.0420 | |
| 457 | Y | A | -0.2296 | |
| 458 | L | A | 0.0000 | |
| 459 | P | A | -1.4940 | |
| 460 | R | A | -2.7239 | |
| 461 | H | A | -2.2839 | |
| 462 | F | A | -1.6219 | |
| 463 | N | A | -2.2726 | |
| 464 | P | A | -1.1388 | |
| 465 | A | A | -0.5560 | |
| 466 | P | A | -0.6912 | |
| 467 | S | A | -0.7645 | |
| 468 | S | A | -1.0096 | |
| 469 | T | A | -1.4168 | |
| 470 | E | A | -2.6685 | |
| 471 | S | A | -2.5055 | |
| 472 | K | A | -3.1183 | |
| 473 | Q | A | -2.7748 | |
| 474 | H | A | -2.0197 | |
| 475 | L | A | -1.0687 | |
| 476 | S | A | -0.9687 | |
| 477 | A | A | -1.0105 | |
| 478 | T | A | -1.1350 | |
| 479 | K | A | -2.2558 | |
| 480 | I | A | 0.0000 | |
| 481 | K | A | -1.5689 | |
| 482 | A | A | -1.8118 | |
| 483 | E | A | -2.1982 | |
| 484 | L | A | 0.0000 | |
| 485 | K | A | -1.4295 | |
| 486 | S | A | -0.7302 | |
| 487 | Y | A | -0.2135 | |
| 488 | I | A | 0.0000 | |
| 489 | I | A | -0.2109 | |
| 490 | S | A | -0.6134 | |
| 491 | I | A | 0.0000 | |
| 492 | I | A | 0.0000 | |
| 493 | D | A | -1.9400 | |
| 494 | D | A | -1.3796 | |
| 495 | L | A | -0.3014 | |
| 496 | S | A | -0.7979 | |
| 497 | S | A | -0.4845 | |
| 498 | V | A | 0.5987 | |
| 499 | E | A | -1.8358 | |
| 500 | E | A | -2.4854 | |
| 501 | L | A | -0.9640 | |
| 502 | A | A | -1.5176 | |
| 503 | Q | A | -2.5131 | |
| 504 | K | A | -1.8472 | |
| 505 | E | A | -1.6925 | |
| 506 | I | A | 0.0000 | |
| 507 | P | A | 0.0469 | |
| 508 | L | A | 0.9359 | |
| 509 | R | A | 0.2466 | |
| 510 | L | A | 0.5139 | |
| 511 | T | A | 0.5488 | |
| 512 | T | A | 0.2561 | |
| 513 | F | A | 0.0000 | |
| 514 | I | A | 0.3631 | |
| 515 | R | A | -0.1993 | |
| 516 | G | A | -0.1987 | |
| 517 | M | A | 0.0000 | |
| 518 | T | A | 0.0294 | |
| 519 | L | A | 0.0066 | |
| 520 | L | A | 0.0000 | |
| 521 | K | A | -2.2251 | |
| 522 | V | A | -1.6768 | |
| 523 | E | A | -2.4295 | |
| 524 | D | A | 0.0000 | |
| 525 | I | A | 0.0000 | |
| 526 | K | A | -1.7731 | |
| 527 | S | A | -1.5763 | |
| 528 | L | A | 0.0000 | |
| 529 | Y | A | 0.0000 | |
| 530 | T | A | -1.3163 | |
| 531 | D | A | -2.2060 | |
| 532 | L | A | 0.0000 | |
| 533 | K | A | -0.9391 | |
| 534 | S | A | -0.8328 | |
| 535 | T | A | -0.6636 | |
| 536 | V | A | 0.0000 | |
| 537 | Y | A | 0.0671 | |
| 538 | S | A | -0.2052 | |
| 539 | P | A | -0.4150 | |
| 540 | A | A | -0.3872 | |
| 541 | H | A | -1.1173 | |
| 542 | S | A | -1.1944 | |
| 543 | N | A | -2.0217 | |
| 544 | Q | A | -2.4145 | |
| 545 | E | A | -2.7195 | |
| 546 | K | A | -1.9802 | |
| 547 | I | A | -1.2555 | |
| 548 | S | A | -1.2474 | |
| 549 | M | A | -0.9896 | |
| 550 | F | A | 0.0000 | |
| 551 | H | A | -0.6459 | |
| 552 | N | A | -0.8828 | |
| 553 | I | A | -0.2994 | |
| 554 | F | A | 0.0000 | |
| 555 | F | A | 0.0000 | |
| 556 | D | A | -0.5466 | |
| 557 | A | A | 0.0000 | |
| 558 | V | A | 0.0000 | |
| 559 | M | A | 0.0000 | |
| 560 | V | A | 0.0516 | |
| 561 | S | A | 0.0000 | |
| 562 | G | A | 0.0000 | |
| 563 | T | A | 0.0000 | |
| 564 | T | A | -0.7578 | |
| 565 | P | A | -0.8439 | |
| 566 | A | A | 0.0000 | |
| 567 | V | A | 0.0000 | |
| 568 | L | A | -0.4798 | |
| 569 | F | A | 0.0000 | |
| 570 | L | A | 0.0000 | |
| 571 | K | A | -0.9046 | |
| 572 | D | A | -1.6123 | |
| 573 | M | A | -1.2913 | |
| 574 | I | A | 0.0000 | |
| 575 | K | A | -2.2080 | |
| 576 | S | A | -1.7423 | |
| 577 | K | A | -2.3637 | |
| 578 | E | A | -1.5882 | |
| 579 | I | A | 0.0000 | |
| 580 | P | A | -0.2372 | |
| 581 | T | A | 0.5549 | |
| 582 | Y | A | 1.7589 | |
| 583 | Q | A | 0.0000 | |
| 584 | A | A | 0.0000 | |
| 585 | T | A | 1.4021 | |
| 586 | Y | A | 1.4897 | |
| 587 | L | A | 0.0000 | |
| 588 | L | A | 0.0000 | |
| 589 | M | A | 0.9121 | |
| 590 | L | A | 0.5318 | |
| 591 | L | A | 0.0000 | |
| 592 | P | A | -0.4384 | |
| 593 | H | A | -0.8559 | |
| 594 | H | A | -0.5048 | |
| 595 | I | A | 0.0000 | |
| 596 | I | A | 0.2422 | |
| 597 | T | A | 0.0000 | |
| 598 | P | A | 0.0000 | |
| 599 | T | A | -1.2704 | |
| 600 | K | A | -2.1214 | |
| 601 | E | A | -2.0751 | |
| 602 | V | A | 0.0000 | |
| 603 | F | A | 0.0000 | |
| 604 | T | A | -1.2050 | |
| 605 | S | A | 0.0000 | |
| 606 | L | A | 0.0000 | |
| 607 | L | A | -1.0334 | |
| 608 | E | A | -2.0311 | |
| 609 | I | A | 0.0000 | |
| 610 | I | A | 0.0000 | |
| 611 | Q | A | -1.8701 | |
| 612 | S | A | 0.0000 | |
| 613 | E | A | -2.2117 | |
| 614 | I | A | 0.0000 | |
| 615 | V | A | 0.0000 | |
| 616 | I | A | -0.2266 | |
| 617 | S | A | -0.3085 | |
| 618 | N | A | 0.0923 | |
| 619 | T | A | 0.5241 | |
| 620 | I | A | 1.8376 | |
| 621 | L | A | 0.0000 | |
| 622 | Y | A | 0.0000 | |
| 623 | N | A | 0.4454 | |
| 624 | T | A | 0.9050 | |
| 625 | A | A | 0.0000 | |
| 626 | I | A | 0.0000 | |
| 627 | L | A | 0.3027 | |
| 628 | S | A | -0.0264 | |
| 629 | M | A | 0.0000 | |
| 630 | S | A | 0.0000 | |
| 631 | N | A | -1.0040 | |
| 632 | L | A | 0.0000 | |
| 633 | V | A | 0.0000 | |
| 634 | E | A | -1.1205 | |
| 635 | K | A | -1.1585 | |
| 636 | T | A | 0.0000 | |
| 637 | C | A | 0.0000 | |
| 638 | L | A | 0.0000 | |
| 639 | D | A | -1.6449 | |
| 640 | K | A | -1.9277 | |
| 641 | S | A | -1.5091 | |
| 642 | R | A | -1.1920 | |
| 643 | Q | A | -0.8893 | |
| 644 | V | A | 1.0720 | |
| 645 | S | A | 0.4572 | |
| 646 | Y | A | 0.5706 | |
| 647 | P | A | 0.0000 | |
| 648 | T | A | 0.0000 | |
| 649 | A | A | 0.7248 | |
| 650 | V | A | 0.9521 | |
| 651 | F | A | 0.0000 | |
| 652 | G | A | -0.4718 | |
| 653 | Q | A | -1.1812 | |
| 654 | F | A | -0.4129 | |
| 655 | C | A | 0.0000 | |
| 656 | D | A | -1.5327 | |
| 657 | A | A | -1.4494 | |
| 658 | Q | A | -2.1217 | |
| 659 | S | A | -2.0938 | |
| 660 | E | A | -3.2173 | |
| 661 | I | A | 0.0000 | |
| 662 | V | A | 0.0000 | |
| 663 | T | A | -2.3514 | |
| 664 | E | A | -3.0606 | |
| 665 | K | A | -2.1478 | |
| 666 | W | A | 0.0000 | |
| 667 | I | A | 0.0000 | |
| 668 | P | A | -1.4022 | |
| 669 | Y | A | -0.9459 | |
| 670 | L | A | 0.0000 | |
| 671 | T | A | -1.2761 | |
| 672 | K | A | -2.0797 | |
| 673 | A | A | 0.0000 | |
| 674 | V | A | 0.0000 | |
| 675 | Q | A | -1.7216 | |
| 676 | T | A | -1.1457 | |
| 677 | A | A | -1.0237 | |
| 678 | P | A | -0.9155 | |
| 679 | T | A | -0.9446 | |
| 680 | A | A | -0.7757 | |
| 681 | D | A | -1.6728 | |
| 682 | R | A | 0.0000 | |
| 683 | R | A | 0.0000 | |
| 684 | N | A | -0.4729 | |
| 685 | A | A | 0.0000 | |
| 686 | I | A | 0.0000 | |
| 687 | I | A | 0.0000 | |
| 688 | M | A | 0.4800 | |
| 689 | A | A | 0.0000 | |
| 690 | L | A | 0.0000 | |
| 691 | G | A | 0.0000 | |
| 692 | A | A | -0.2406 | |
| 693 | L | A | 0.0000 | |
| 694 | K | A | -0.8158 | |
| 695 | H | A | 0.0000 | |
| 696 | K | A | -1.5556 | |
| 697 | D | A | -1.6866 | |
| 698 | I | A | 0.0000 | |
| 699 | I | A | -0.3983 | |
| 700 | P | A | -0.5251 | |
| 701 | A | A | 0.0000 | |
| 702 | L | A | 0.0000 | |
| 703 | L | A | -0.3671 | |
| 704 | P | A | -1.0744 | |
| 705 | L | A | 0.0000 | |
| 706 | V | A | 0.0000 | |
| 707 | E | A | -2.2025 | |
| 708 | G | A | -1.6250 | |
| 709 | H | A | -1.4929 | |
| 710 | G | A | -1.1300 | |
| 711 | P | A | -0.9641 | |
| 712 | I | A | -0.4588 | |
| 713 | E | A | -1.9117 | |
| 714 | Q | A | -1.9470 | |
| 715 | G | A | -1.3101 | |
| 716 | S | A | -0.7027 | |
| 717 | G | A | -0.1669 | |
| 718 | V | A | 1.1775 | |
| 719 | A | A | 0.3945 | |
| 720 | F | A | 0.0000 | |
| 721 | P | A | 0.1822 | |
| 722 | N | A | -0.8742 | |
| 723 | I | A | 0.8041 | |
| 724 | S | A | 0.0000 | |
| 725 | R | A | -0.7278 | |
| 726 | T | A | 0.0000 | |
| 727 | L | A | 0.5974 | |
| 728 | S | A | 0.0000 | |
| 729 | I | A | 0.0000 | |
| 730 | Y | A | 0.4274 | |
| 731 | A | A | 0.0000 | |
| 732 | I | A | 0.0000 | |
| 733 | G | A | 0.0000 | |
| 734 | N | A | -0.3987 | |
| 735 | V | A | 0.0000 | |
| 736 | R | A | -0.8574 | |
| 737 | V | A | 0.0101 | |
| 738 | H | A | -0.8140 | |
| 739 | H | A | -0.9464 | |
| 740 | P | A | -1.0615 | |
| 741 | E | A | -1.6948 | |
| 742 | L | A | -0.4514 | |
| 743 | V | A | 0.0000 | |
| 744 | L | A | -0.2310 | |
| 745 | P | A | -0.1381 | |
| 746 | I | A | 0.2970 | |
| 747 | I | A | 0.0000 | |
| 748 | L | A | -0.0136 | |
| 749 | S | A | -0.2904 | |
| 750 | V | A | -0.5398 | |
| 751 | Y | A | 0.0000 | |
| 752 | S | A | -0.6718 | |
| 753 | N | A | -1.1709 | |
| 754 | P | A | -1.2750 | |
| 755 | A | A | -0.6625 | |
| 756 | E | A | -1.3256 | |
| 757 | N | A | -1.4800 | |
| 758 | T | A | -1.4202 | |
| 759 | Q | A | -1.4369 | |
| 760 | L | A | 0.0000 | |
| 761 | R | A | 0.0000 | |
| 762 | I | A | -0.7858 | |
| 763 | A | A | 0.0000 | |
| 764 | A | A | 0.0000 | |
| 765 | F | A | 0.0000 | |
| 766 | N | A | -0.8713 | |
| 767 | M | A | 0.0000 | |
| 768 | L | A | 0.0000 | |
| 769 | V | A | -0.7423 | |
| 770 | N | A | -1.5224 | |
| 771 | M | A | -0.8648 | |
| 772 | N | A | -1.1428 | |
| 773 | P | A | 0.0000 | |
| 774 | P | A | -0.9870 | |
| 775 | M | A | -1.2702 | |
| 776 | N | A | -1.5707 | |
| 777 | I | A | -0.9278 | |
| 778 | I | A | 0.0000 | |
| 779 | Q | A | -1.0906 | |
| 780 | K | A | -1.3577 | |
| 781 | I | A | 0.0000 | |
| 782 | A | A | 0.0000 | |
| 783 | A | A | 0.0685 | |
| 784 | M | A | -0.1329 | |
| 785 | T | A | 0.0000 | |
| 786 | W | A | 0.5984 | |
| 787 | S | A | -0.2283 | |
| 788 | E | A | -1.2328 | |
| 789 | K | A | -2.0772 | |
| 790 | N | A | -1.9735 | |
| 791 | T | A | -2.0090 | |
| 792 | E | A | -2.8600 | |
| 793 | V | A | 0.0000 | |
| 794 | L | A | 0.0000 | |
| 795 | K | A | -2.6116 | |
| 796 | K | A | -1.7787 | |
| 797 | T | A | 0.0000 | |
| 798 | Y | A | 0.0000 | |
| 799 | T | A | -0.7218 | |
| 800 | G | A | -0.4240 | |
| 801 | F | A | 0.0000 | |
| 802 | Y | A | -0.5978 | |
| 803 | T | A | -0.5562 | |
| 804 | L | A | -0.3975 | |
| 805 | S | A | -0.9094 | |
| 806 | R | A | -1.7024 | |
| 807 | S | A | -0.2650 | |
| 808 | V | A | 1.2822 | |
| 809 | D | A | 0.4189 | |
| 810 | I | A | 1.8813 | |
| 811 | S | A | 0.3541 | |
| 812 | N | A | -0.4810 | |
| 813 | L | A | 0.4713 | |
| 814 | E | A | -1.6599 | |
| 815 | D | A | -2.0603 | |
| 816 | T | A | -1.3446 | |
| 817 | S | A | -1.5198 | |
| 818 | P | A | -1.4243 | |
| 819 | E | A | -2.2982 | |
| 820 | S | A | -1.5925 | |
| 821 | T | A | -1.3915 | |
| 822 | L | A | -0.9558 | |
| 823 | A | A | 0.0000 | |
| 824 | K | A | -1.3585 | |
| 825 | K | A | 0.0000 | |
| 826 | T | A | 0.0000 | |
| 827 | Q | A | -0.7000 | |
| 828 | L | A | 0.3766 | |
| 829 | V | A | 0.0000 | |
| 830 | V | A | 0.0000 | |
| 831 | P | A | 0.0813 | |
| 832 | L | A | 0.8643 | |
| 833 | M | A | 0.0000 | |
| 834 | R | A | -0.9656 | |
| 835 | K | A | -1.9231 | |
| 836 | T | A | -1.5717 | |
| 837 | S | A | -0.7946 | |
| 838 | G | A | -0.4716 | |
| 839 | V | A | 0.0242 | |
| 840 | L | A | 0.7629 | |
| 841 | Q | A | -0.8260 | |
| 842 | G | A | -0.9006 | |
| 843 | G | A | -0.8313 | |
| 844 | S | A | -0.6849 | |
| 845 | G | A | -0.6740 | |
| 846 | V | A | 0.0768 | |
| 847 | E | A | -2.0778 | |
| 848 | H | A | -2.3676 | |
| 849 | H | A | -2.7287 | |
| 850 | H | A | -2.9782 | |
| 851 | H | A | -2.7286 | |
| 852 | H | A | -2.3981 | |
| 853 | H | A | -1.9396 |
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 | -0.7065 | 4.3007 | View | CSV | PDB |
| 4.5 | -0.7749 | 4.3051 | View | CSV | PDB |
| 5.0 | -0.8574 | 4.3172 | View | CSV | PDB |
| 5.5 | -0.9342 | 4.3438 | View | CSV | PDB |
| 6.0 | -0.9846 | 4.3874 | View | CSV | PDB |
| 6.5 | -0.9973 | 4.4425 | View | CSV | PDB |
| 7.0 | -0.9775 | 4.5028 | View | CSV | PDB |
| 7.5 | -0.9391 | 4.5648 | View | CSV | PDB |
| 8.0 | -0.8919 | 4.6271 | View | CSV | PDB |
| 8.5 | -0.8389 | 4.6888 | View | CSV | PDB |
| 9.0 | -0.78 | 4.7479 | 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