| Chain sequence(s) |
A: HHHHHHMSDQEAKPSTEDLGDKEEGEYIKLKVIGQDSSEIHFKVKMTTHLKKLKESYCQRQGVPMNSLTFLFEGQRIADNHTPKELGMEEEDVIEVYQEQTGGHSTVWQAGKEHIFHYTGRLLSGIPGLRPHFSGIGIETEVHLQVKSLEDIRLNLRQVNYTQVNGPLSPGLPHVTSSYEGSNWRYVLLPQFTQAPIDIKKLLKVPITFAIHDGEIKTITVSGTEQEWSLNFKKALVALFQTKMETSTLDLEMNTIVKDSDSTKNYWKVSEETIEGVCDVIYQVNELPEYIVKERAHYFPHLEACTSKKFYEITKTKEIDSCKKSAVYTFMKPAVKAESCNSFKCLSNTFGSASSMTRYYACGPRSNWILQTIVNEGEIVQRPVGVKSETITTGTRQVLKLRTIQPISSEVPKPPQPRTTESIMYEYINAGQVSRQQIGIIPKIPQSELKSGEIYKYLPRHFNPAPSSTESKQHLSATKIKAELKSYIISIIDDLSSVEELAQKEIPLRLTTFIRGMTLLKVEDIKSLYTDLKSTVYSPAHSNQEKISMFHNIFFDAVMVSGTTPAVLFLKDMIKSKEIPTYQATYLLMLLPHHIITPTKEVFTSLLEIIQSEIVISNTILYNTAILSMSNLVEKTCLDKSRQVSYPTAVFGQFCDAQSEIVTEKWIPYLTKAVQTAPTADRRNAIIMALGALKHKDIIPALLPLVEGHGPIEQGSGVAFPNISRTLSIYAIGNVRVHHPELVLPIILSVYSNPAENTQLRIAAFNMLVNMNPPMNIIQKIAAMTWSEKNTEVLKKTYTGFYTLSRSVDISNLEDTSPESTLAKKTQLVVPLMRKTSGVLQGGSGVEMSDQEAKPSTEDLGDKEEGEYIKLKVIGQDSSEIHFKVKMTTHLKKLKESYCQRQGVPMNSLTFLFEGQRIADNHTPKELGMEEEDVIEVYQEQTGGHSTVGGSGVEHHHHHH
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. (00:00:11)
[INFO] FoldX: Starting FoldX energy minimization (00:00:11)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:32:28)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/6f3cafc3cab8275/tmp/folded.pdb (00:32:28)
[INFO] Main: Simulation completed successfully. (00:46:26)
|
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 | -1.8722 | |
| 2 | H | A | -2.3498 | |
| 3 | H | A | -2.6372 | |
| 4 | H | A | -2.4620 | |
| 5 | H | A | -2.1514 | |
| 6 | H | A | -1.6301 | |
| 7 | M | A | -0.5390 | |
| 8 | S | A | -1.5795 | |
| 9 | D | A | -2.8183 | |
| 10 | Q | A | -3.0793 | |
| 11 | E | A | -3.4225 | |
| 12 | A | A | -2.3415 | |
| 13 | K | A | -2.5451 | |
| 14 | P | A | -1.6789 | |
| 15 | S | A | -1.6719 | |
| 16 | T | A | -1.5009 | |
| 17 | E | A | -2.4806 | |
| 18 | D | A | -2.4040 | |
| 19 | L | A | -0.8112 | |
| 20 | G | A | -2.2464 | |
| 21 | D | A | -3.6040 | |
| 22 | K | A | -3.8810 | |
| 23 | E | A | -4.4956 | |
| 24 | E | A | -3.9835 | |
| 25 | G | A | -2.8493 | |
| 26 | E | A | -2.9833 | |
| 27 | Y | A | -1.5805 | |
| 28 | I | A | 0.0000 | |
| 29 | K | A | -2.9224 | |
| 30 | L | A | 0.0000 | |
| 31 | K | A | -1.6902 | |
| 32 | V | A | 0.0000 | |
| 33 | I | A | -0.8112 | |
| 34 | G | A | 0.0000 | |
| 35 | Q | A | -1.3688 | |
| 36 | D | A | -2.0195 | |
| 37 | S | A | -1.4671 | |
| 38 | S | A | -1.4281 | |
| 39 | E | A | -1.8940 | |
| 40 | I | A | -0.8478 | |
| 41 | H | A | -1.4757 | |
| 42 | F | A | -1.4330 | |
| 43 | K | A | -2.4812 | |
| 44 | V | A | 0.0000 | |
| 45 | K | A | -1.7948 | |
| 46 | M | A | -2.2404 | |
| 47 | T | A | -1.5255 | |
| 48 | T | A | -1.3342 | |
| 49 | H | A | -2.4631 | |
| 50 | L | A | 0.0000 | |
| 51 | K | A | -2.9062 | |
| 52 | K | A | -3.1289 | |
| 53 | L | A | 0.0000 | |
| 54 | K | A | 0.0000 | |
| 55 | E | A | -3.4549 | |
| 56 | S | A | -2.5036 | |
| 57 | Y | A | 0.0000 | |
| 58 | C | A | 0.0000 | |
| 59 | Q | A | -2.8724 | |
| 60 | R | A | -3.0177 | |
| 61 | Q | A | -2.1926 | |
| 62 | G | A | -1.6008 | |
| 63 | V | A | -1.1317 | |
| 64 | P | A | -1.0215 | |
| 65 | M | A | -1.4862 | |
| 66 | N | A | -1.7116 | |
| 67 | S | A | -1.3439 | |
| 68 | L | A | 0.0000 | |
| 69 | T | A | 0.0000 | |
| 70 | F | A | 0.0000 | |
| 71 | L | A | -1.6203 | |
| 72 | F | A | 0.0000 | |
| 73 | E | A | -2.6982 | |
| 74 | G | A | -2.4338 | |
| 75 | Q | A | -2.8709 | |
| 76 | R | A | -2.8883 | |
| 77 | I | A | 0.0000 | |
| 78 | A | A | -1.5492 | |
| 79 | D | A | -2.3892 | |
| 80 | N | A | -2.4485 | |
| 81 | H | A | -2.2801 | |
| 82 | T | A | -2.1636 | |
| 83 | P | A | 0.0000 | |
| 84 | K | A | -3.3269 | |
| 85 | E | A | -2.9480 | |
| 86 | L | A | -2.0591 | |
| 87 | G | A | -1.9855 | |
| 88 | M | A | 0.0000 | |
| 89 | E | A | -3.4451 | |
| 90 | E | A | -3.9453 | |
| 91 | E | A | -3.5766 | |
| 92 | D | A | -2.5825 | |
| 93 | V | A | -1.3059 | |
| 94 | I | A | 0.0000 | |
| 95 | E | A | -1.4978 | |
| 96 | V | A | 0.0000 | |
| 97 | Y | A | -0.7942 | |
| 98 | Q | A | -1.6494 | |
| 99 | E | A | -2.2443 | |
| 100 | Q | A | -2.4454 | |
| 101 | T | A | -1.6273 | |
| 102 | G | A | -1.9516 | |
| 103 | G | A | -1.2894 | |
| 104 | H | A | -1.5459 | |
| 105 | S | A | -1.5908 | |
| 106 | T | A | -0.8026 | |
| 107 | V | A | -0.2882 | |
| 108 | W | A | 0.0000 | |
| 109 | Q | A | -1.0801 | |
| 110 | A | A | -0.9255 | |
| 111 | G | A | -1.1917 | |
| 112 | K | A | -1.2329 | |
| 113 | E | A | 0.0000 | |
| 114 | H | A | 0.0000 | |
| 115 | I | A | -0.5676 | |
| 116 | F | A | 0.0000 | |
| 117 | H | A | -1.1121 | |
| 118 | Y | A | 0.0000 | |
| 119 | T | A | -0.3418 | |
| 120 | G | A | 0.0000 | |
| 121 | R | A | 0.1543 | |
| 122 | L | A | 0.4882 | |
| 123 | L | A | 0.0000 | |
| 124 | S | A | 0.2617 | |
| 125 | G | A | -0.1248 | |
| 126 | I | A | 0.1657 | |
| 127 | P | A | -0.5177 | |
| 128 | G | A | -0.4992 | |
| 129 | L | A | 0.2047 | |
| 130 | R | A | -1.4043 | |
| 131 | P | A | -1.1919 | |
| 132 | H | A | -1.4407 | |
| 133 | F | A | 0.0000 | |
| 134 | S | A | -0.8670 | |
| 135 | G | A | -0.2906 | |
| 136 | I | A | 0.2838 | |
| 137 | G | A | 0.0000 | |
| 138 | I | A | 0.1540 | |
| 139 | E | A | -0.7446 | |
| 140 | T | A | 0.0000 | |
| 141 | E | A | -1.6199 | |
| 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 | -1.7651 | |
| 148 | S | A | -1.3282 | |
| 149 | L | A | -1.3388 | |
| 150 | E | A | -2.1768 | |
| 151 | D | A | -1.4890 | |
| 152 | I | A | 0.0000 | |
| 153 | R | A | 0.0000 | |
| 154 | L | A | 0.0000 | |
| 155 | N | A | -0.7972 | |
| 156 | L | A | 0.0000 | |
| 157 | R | A | -2.2857 | |
| 158 | Q | A | -2.3499 | |
| 159 | V | A | 0.0000 | |
| 160 | N | A | -1.1997 | |
| 161 | Y | A | -0.3146 | |
| 162 | T | A | 0.0000 | |
| 163 | Q | A | -1.1589 | |
| 164 | V | A | 0.0000 | |
| 165 | N | A | -1.7750 | |
| 166 | G | A | -1.4865 | |
| 167 | P | A | -1.1638 | |
| 168 | L | A | 0.0000 | |
| 169 | S | A | -0.0988 | |
| 170 | P | A | -0.0725 | |
| 171 | G | A | 0.6631 | |
| 172 | L | A | 1.4752 | |
| 173 | P | A | 0.4811 | |
| 174 | H | A | 0.7015 | |
| 175 | V | A | 1.5286 | |
| 176 | T | A | 0.4468 | |
| 177 | S | A | 0.1787 | |
| 178 | S | A | -0.1145 | |
| 179 | Y | A | -0.2577 | |
| 180 | E | A | -1.4952 | |
| 181 | G | A | -0.3830 | |
| 182 | S | A | -0.5246 | |
| 183 | N | A | -0.4795 | |
| 184 | W | A | 0.0000 | |
| 185 | R | A | 0.0000 | |
| 186 | Y | A | 0.3457 | |
| 187 | V | A | 0.0000 | |
| 188 | L | A | 1.2903 | |
| 189 | L | A | 0.4527 | |
| 190 | P | A | -0.2571 | |
| 191 | Q | A | -0.8842 | |
| 192 | F | A | -0.4401 | |
| 193 | T | A | -0.8510 | |
| 194 | Q | A | -1.1302 | |
| 195 | A | A | 0.0000 | |
| 196 | P | A | -0.0258 | |
| 197 | I | A | 0.7572 | |
| 198 | D | A | -1.1210 | |
| 199 | I | A | -0.6297 | |
| 200 | K | A | -1.6791 | |
| 201 | K | A | -2.1812 | |
| 202 | L | A | -1.1333 | |
| 203 | L | A | 0.0000 | |
| 204 | K | A | -2.6623 | |
| 205 | V | A | -1.3038 | |
| 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 | -2.0142 | |
| 213 | D | A | -2.9836 | |
| 214 | G | A | -1.7876 | |
| 215 | E | A | -1.6327 | |
| 216 | I | A | 0.0000 | |
| 217 | K | A | -1.8393 | |
| 218 | T | A | -1.2574 | |
| 219 | I | A | 0.0000 | |
| 220 | T | A | -0.5841 | |
| 221 | V | A | 0.0000 | |
| 222 | S | A | 0.0000 | |
| 223 | G | A | -1.0331 | |
| 224 | T | A | -0.6474 | |
| 225 | E | A | 0.0000 | |
| 226 | Q | A | -0.4283 | |
| 227 | E | A | 0.0059 | |
| 228 | W | A | 0.5266 | |
| 229 | S | A | 0.0000 | |
| 230 | L | A | 0.0000 | |
| 231 | N | A | 0.0000 | |
| 232 | F | A | 0.4567 | |
| 233 | K | A | 0.0000 | |
| 234 | K | A | 0.0000 | |
| 235 | A | A | 0.2023 | |
| 236 | L | A | 0.0000 | |
| 237 | V | A | 0.0000 | |
| 238 | A | A | -0.0344 | |
| 239 | L | A | 0.0000 | |
| 240 | F | A | 0.0000 | |
| 241 | Q | A | 0.0000 | |
| 242 | T | A | 0.0000 | |
| 243 | K | A | -1.3909 | |
| 244 | M | A | -1.5273 | |
| 245 | E | A | -2.5016 | |
| 246 | T | A | -1.1713 | |
| 247 | S | A | -0.6240 | |
| 248 | T | A | -0.6308 | |
| 249 | L | A | -0.1654 | |
| 250 | D | A | -1.5137 | |
| 251 | L | A | -1.0515 | |
| 252 | E | A | -1.6287 | |
| 253 | M | A | -0.2449 | |
| 254 | N | A | -0.6586 | |
| 255 | T | A | 0.3833 | |
| 256 | I | A | 1.9199 | |
| 257 | V | A | 0.7796 | |
| 258 | K | A | -1.6323 | |
| 259 | D | A | -2.4097 | |
| 260 | S | A | -2.2741 | |
| 261 | D | A | -2.8884 | |
| 262 | S | A | -1.9140 | |
| 263 | T | A | -1.4291 | |
| 264 | K | A | -1.6667 | |
| 265 | N | A | -1.3304 | |
| 266 | Y | A | -0.2253 | |
| 267 | W | A | -0.6089 | |
| 268 | K | A | -1.5887 | |
| 269 | V | A | -0.7756 | |
| 270 | S | A | -0.8597 | |
| 271 | E | A | 0.0000 | |
| 272 | E | A | -0.7362 | |
| 273 | T | A | 0.0000 | |
| 274 | I | A | 0.3215 | |
| 275 | E | A | 0.0068 | |
| 276 | G | A | 0.0000 | |
| 277 | V | A | -0.8012 | |
| 278 | C | A | 0.0000 | |
| 279 | D | A | -1.5305 | |
| 280 | V | A | 0.0000 | |
| 281 | I | A | -0.6068 | |
| 282 | Y | A | 0.0000 | |
| 283 | Q | A | -0.9134 | |
| 284 | V | A | 0.0000 | |
| 285 | N | A | -2.0197 | |
| 286 | E | A | -2.2398 | |
| 287 | L | A | 0.0000 | |
| 288 | P | A | -1.4607 | |
| 289 | E | A | -2.3751 | |
| 290 | Y | A | -0.4444 | |
| 291 | I | A | -0.9388 | |
| 292 | V | A | 0.0000 | |
| 293 | K | A | -2.5403 | |
| 294 | E | A | -2.3128 | |
| 295 | R | A | -1.4340 | |
| 296 | A | A | -1.3642 | |
| 297 | H | A | -0.9763 | |
| 298 | Y | A | 0.0000 | |
| 299 | F | A | 0.0000 | |
| 300 | P | A | -0.8807 | |
| 301 | H | A | -0.9478 | |
| 302 | L | A | -0.9634 | |
| 303 | E | A | -1.8827 | |
| 304 | A | A | -0.8912 | |
| 305 | C | A | 0.0000 | |
| 306 | T | A | -1.1546 | |
| 307 | S | A | -1.3860 | |
| 308 | K | A | -2.7815 | |
| 309 | K | A | -2.5386 | |
| 310 | F | A | 0.0000 | |
| 311 | Y | A | 0.0000 | |
| 312 | E | A | -1.1394 | |
| 313 | I | A | 0.0000 | |
| 314 | T | A | -0.3862 | |
| 315 | K | A | 0.0000 | |
| 316 | T | A | -0.5655 | |
| 317 | K | A | -0.9002 | |
| 318 | E | A | -1.4725 | |
| 319 | I | A | -0.8493 | |
| 320 | D | A | -1.6321 | |
| 321 | S | A | -1.3758 | |
| 322 | C | A | -1.4719 | |
| 323 | K | A | -2.0864 | |
| 324 | K | A | -1.0030 | |
| 325 | S | A | -0.3928 | |
| 326 | A | A | 0.0000 | |
| 327 | V | A | 0.9650 | |
| 328 | Y | A | 0.0000 | |
| 329 | T | A | 0.3946 | |
| 330 | F | A | 0.0919 | |
| 331 | M | A | -0.1788 | |
| 332 | K | A | -0.8822 | |
| 333 | P | A | -1.0137 | |
| 334 | A | A | -0.8579 | |
| 335 | V | A | -1.5482 | |
| 336 | K | A | -2.8079 | |
| 337 | A | A | -2.6334 | |
| 338 | E | A | -2.8806 | |
| 339 | S | A | -1.7418 | |
| 340 | C | A | 0.0000 | |
| 341 | N | A | -2.2954 | |
| 342 | S | A | -1.1677 | |
| 343 | F | A | -0.4506 | |
| 344 | K | A | -1.8447 | |
| 345 | C | A | -0.9896 | |
| 346 | L | A | -0.4432 | |
| 347 | S | A | -0.6403 | |
| 348 | N | A | -1.5090 | |
| 349 | T | A | -0.2546 | |
| 350 | F | A | 0.6323 | |
| 351 | G | A | 0.0000 | |
| 352 | S | A | -0.3273 | |
| 353 | A | A | -0.1275 | |
| 354 | S | A | -0.1202 | |
| 355 | S | A | -0.1453 | |
| 356 | M | A | -0.1588 | |
| 357 | T | A | 0.0000 | |
| 358 | R | A | -0.3402 | |
| 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 | -1.2172 | |
| 365 | R | A | -1.3439 | |
| 366 | S | A | -1.3627 | |
| 367 | N | A | -1.1542 | |
| 368 | W | A | 0.0000 | |
| 369 | I | A | 0.2450 | |
| 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 | -0.3175 | |
| 376 | E | A | -0.4905 | |
| 377 | G | A | -0.0073 | |
| 378 | E | A | 0.4026 | |
| 379 | I | A | 1.4563 | |
| 380 | V | A | 0.7467 | |
| 381 | Q | A | 0.0169 | |
| 382 | R | A | -0.2451 | |
| 383 | P | A | 0.2776 | |
| 384 | V | A | 1.2126 | |
| 385 | G | A | 0.6013 | |
| 386 | V | A | 0.8494 | |
| 387 | K | A | -1.1336 | |
| 388 | S | A | -0.9894 | |
| 389 | E | A | -1.4863 | |
| 390 | T | A | -0.2568 | |
| 391 | I | A | 0.4042 | |
| 392 | T | A | 0.0000 | |
| 393 | T | A | 0.7292 | |
| 394 | G | A | 0.0000 | |
| 395 | T | A | 0.1126 | |
| 396 | R | A | -0.3565 | |
| 397 | Q | A | -0.2464 | |
| 398 | V | A | -0.2477 | |
| 399 | L | A | 0.0000 | |
| 400 | K | A | -1.0616 | |
| 401 | L | A | 0.0000 | |
| 402 | R | A | -1.8406 | |
| 403 | T | A | -0.6722 | |
| 404 | I | A | -0.0411 | |
| 405 | Q | A | -0.5522 | |
| 406 | P | A | -0.6824 | |
| 407 | I | A | -0.8388 | |
| 408 | S | A | -0.8340 | |
| 409 | S | A | -1.1640 | |
| 410 | E | A | -2.2222 | |
| 411 | V | A | 0.0000 | |
| 412 | P | A | -1.3726 | |
| 413 | K | A | -1.8184 | |
| 414 | P | A | 0.0000 | |
| 415 | P | A | -1.1622 | |
| 416 | Q | A | -1.7925 | |
| 417 | P | A | -1.3711 | |
| 418 | R | A | 0.0000 | |
| 419 | T | A | -0.6244 | |
| 420 | T | A | -0.6335 | |
| 421 | E | A | -1.1985 | |
| 422 | S | A | -0.1657 | |
| 423 | I | A | 0.0000 | |
| 424 | M | A | 0.0000 | |
| 425 | Y | A | 0.8117 | |
| 426 | E | A | 0.0000 | |
| 427 | Y | A | 0.0000 | |
| 428 | I | A | 0.2610 | |
| 429 | N | A | -0.2660 | |
| 430 | A | A | -0.0904 | |
| 431 | G | A | -0.7019 | |
| 432 | Q | A | -1.0531 | |
| 433 | V | A | 0.3400 | |
| 434 | S | A | -1.0144 | |
| 435 | R | A | -2.3981 | |
| 436 | Q | A | -1.9092 | |
| 437 | Q | A | -1.0281 | |
| 438 | I | A | 0.2750 | |
| 439 | G | A | 0.3146 | |
| 440 | I | A | 1.6007 | |
| 441 | I | A | 0.8464 | |
| 442 | P | A | 0.2506 | |
| 443 | K | A | -0.2729 | |
| 444 | I | A | 0.0000 | |
| 445 | P | A | -0.8082 | |
| 446 | Q | A | -1.3379 | |
| 447 | S | A | -1.3969 | |
| 448 | E | A | -1.7454 | |
| 449 | L | A | 0.0000 | |
| 450 | K | A | -2.1714 | |
| 451 | S | A | -1.8149 | |
| 452 | G | A | 0.0000 | |
| 453 | E | A | -2.1059 | |
| 454 | I | A | 0.0000 | |
| 455 | Y | A | 0.0000 | |
| 456 | K | A | -0.7627 | |
| 457 | Y | A | -0.2289 | |
| 458 | L | A | 0.0000 | |
| 459 | P | A | -0.3489 | |
| 460 | R | A | -0.5362 | |
| 461 | H | A | -0.5869 | |
| 462 | F | A | 0.6701 | |
| 463 | N | A | -0.8264 | |
| 464 | P | A | -0.2782 | |
| 465 | A | A | -0.2594 | |
| 466 | P | A | -1.0099 | |
| 467 | S | A | -0.6530 | |
| 468 | S | A | -0.9022 | |
| 469 | T | A | -1.2653 | |
| 470 | E | A | -2.4131 | |
| 471 | S | A | -1.5611 | |
| 472 | K | A | -1.4094 | |
| 473 | Q | A | -1.4772 | |
| 474 | H | A | -1.6730 | |
| 475 | L | A | -1.2379 | |
| 476 | S | A | -0.9195 | |
| 477 | A | A | -0.9617 | |
| 478 | T | A | -1.1508 | |
| 479 | K | A | -2.1325 | |
| 480 | I | A | 0.0000 | |
| 481 | K | A | -1.5696 | |
| 482 | A | A | -1.4844 | |
| 483 | E | A | -1.9294 | |
| 484 | L | A | 0.0000 | |
| 485 | K | A | -1.2945 | |
| 486 | S | A | -0.6109 | |
| 487 | Y | A | -0.1641 | |
| 488 | I | A | 0.0000 | |
| 489 | I | A | -0.1221 | |
| 490 | S | A | -0.5583 | |
| 491 | I | A | 0.0000 | |
| 492 | I | A | 0.0000 | |
| 493 | D | A | -1.8719 | |
| 494 | D | A | -1.1160 | |
| 495 | L | A | -0.0642 | |
| 496 | S | A | -0.6214 | |
| 497 | S | A | -0.2238 | |
| 498 | V | A | 0.8286 | |
| 499 | E | A | -1.6174 | |
| 500 | E | A | -2.2085 | |
| 501 | L | A | -0.2876 | |
| 502 | A | A | -1.0049 | |
| 503 | Q | A | -2.1519 | |
| 504 | K | A | -1.6422 | |
| 505 | E | A | -1.6653 | |
| 506 | I | A | 0.0000 | |
| 507 | P | A | -0.0221 | |
| 508 | L | A | 0.8419 | |
| 509 | R | A | 0.1261 | |
| 510 | L | A | 0.4841 | |
| 511 | T | A | 0.9302 | |
| 512 | T | A | 0.5714 | |
| 513 | F | A | 0.0000 | |
| 514 | I | A | 0.7463 | |
| 515 | R | A | 0.0691 | |
| 516 | G | A | -0.0521 | |
| 517 | M | A | 0.0000 | |
| 518 | T | A | 0.0000 | |
| 519 | L | A | -0.4579 | |
| 520 | L | A | 0.0000 | |
| 521 | K | A | -1.8736 | |
| 522 | V | A | -1.3799 | |
| 523 | E | A | -2.2894 | |
| 524 | D | A | -1.5207 | |
| 525 | I | A | 0.0000 | |
| 526 | K | A | -1.7235 | |
| 527 | S | A | -1.5378 | |
| 528 | L | A | 0.0000 | |
| 529 | Y | A | 0.0000 | |
| 530 | T | A | -1.3055 | |
| 531 | D | A | -2.1277 | |
| 532 | L | A | 0.0000 | |
| 533 | K | A | -0.9424 | |
| 534 | S | A | -0.9009 | |
| 535 | T | A | -0.6668 | |
| 536 | V | A | 0.0000 | |
| 537 | Y | A | -0.0567 | |
| 538 | S | A | -0.2790 | |
| 539 | P | A | -0.4714 | |
| 540 | A | A | -0.4472 | |
| 541 | H | A | -1.4443 | |
| 542 | S | A | -1.3325 | |
| 543 | N | A | -2.2319 | |
| 544 | Q | A | -2.5386 | |
| 545 | E | A | -2.8854 | |
| 546 | K | A | -2.0831 | |
| 547 | I | A | -1.3260 | |
| 548 | S | A | -1.2844 | |
| 549 | M | A | -0.8353 | |
| 550 | F | A | 0.0000 | |
| 551 | H | A | -0.7259 | |
| 552 | N | A | -0.6569 | |
| 553 | I | A | -0.1122 | |
| 554 | F | A | 0.0000 | |
| 555 | F | A | 0.0000 | |
| 556 | D | A | -0.1498 | |
| 557 | A | A | 0.0000 | |
| 558 | V | A | 0.0000 | |
| 559 | M | A | 0.0000 | |
| 560 | V | A | 0.3480 | |
| 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 | -0.3259 | |
| 569 | F | A | 0.0000 | |
| 570 | L | A | 0.0000 | |
| 571 | K | A | -0.9105 | |
| 572 | D | A | -1.7345 | |
| 573 | M | A | -1.3263 | |
| 574 | I | A | 0.0000 | |
| 575 | K | A | -2.1644 | |
| 576 | S | A | -1.6821 | |
| 577 | K | A | -2.2908 | |
| 578 | E | A | -1.5803 | |
| 579 | I | A | 0.0000 | |
| 580 | P | A | -0.2049 | |
| 581 | T | A | 0.5921 | |
| 582 | Y | A | 1.7522 | |
| 583 | Q | A | 0.0000 | |
| 584 | A | A | 0.0000 | |
| 585 | T | A | 1.3684 | |
| 586 | Y | A | 1.4287 | |
| 587 | L | A | 0.0000 | |
| 588 | L | A | 0.0000 | |
| 589 | M | A | 0.9299 | |
| 590 | L | A | 0.6777 | |
| 591 | L | A | 0.0000 | |
| 592 | P | A | 0.0000 | |
| 593 | H | A | -0.5897 | |
| 594 | H | A | -0.3450 | |
| 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 | -2.2337 | |
| 601 | E | A | -1.4071 | |
| 602 | V | A | 0.0000 | |
| 603 | F | A | 0.0000 | |
| 604 | T | A | -0.9251 | |
| 605 | S | A | 0.0000 | |
| 606 | L | A | 0.0000 | |
| 607 | L | A | -0.7967 | |
| 608 | E | A | -1.7664 | |
| 609 | I | A | 0.0000 | |
| 610 | I | A | 0.0000 | |
| 611 | Q | A | -1.7889 | |
| 612 | S | A | 0.0000 | |
| 613 | E | A | -2.0460 | |
| 614 | I | A | -1.2217 | |
| 615 | V | A | 0.0000 | |
| 616 | I | A | -0.1717 | |
| 617 | S | A | -0.2452 | |
| 618 | N | A | 0.1272 | |
| 619 | T | A | 0.5361 | |
| 620 | I | A | 1.8656 | |
| 621 | L | A | 0.0000 | |
| 622 | Y | A | 0.0000 | |
| 623 | N | A | 0.4600 | |
| 624 | T | A | 0.8662 | |
| 625 | A | A | 0.0000 | |
| 626 | I | A | 0.0000 | |
| 627 | L | A | 0.2926 | |
| 628 | S | A | 0.0000 | |
| 629 | M | A | 0.0000 | |
| 630 | S | A | 0.0000 | |
| 631 | N | A | -0.5764 | |
| 632 | L | A | 0.0000 | |
| 633 | V | A | 0.0000 | |
| 634 | E | A | -0.9259 | |
| 635 | K | A | -1.3342 | |
| 636 | T | A | 0.0000 | |
| 637 | C | A | 0.0000 | |
| 638 | L | A | 0.0000 | |
| 639 | D | A | -1.9902 | |
| 640 | K | A | -2.7391 | |
| 641 | S | A | 0.0000 | |
| 642 | R | A | -1.9176 | |
| 643 | Q | A | -1.4679 | |
| 644 | V | A | 0.0000 | |
| 645 | S | A | 0.0000 | |
| 646 | Y | A | 0.0000 | |
| 647 | P | A | 0.0000 | |
| 648 | T | A | -0.5933 | |
| 649 | A | A | -0.2641 | |
| 650 | V | A | 0.0000 | |
| 651 | F | A | 0.0000 | |
| 652 | G | A | -0.8452 | |
| 653 | Q | A | -1.4461 | |
| 654 | F | A | 0.0000 | |
| 655 | C | A | 0.0000 | |
| 656 | D | A | -1.6166 | |
| 657 | A | A | -1.4482 | |
| 658 | Q | A | -2.0725 | |
| 659 | S | A | -2.1182 | |
| 660 | E | A | -3.2967 | |
| 661 | I | A | -2.2192 | |
| 662 | V | A | 0.0000 | |
| 663 | T | A | -2.4754 | |
| 664 | E | A | -3.2784 | |
| 665 | K | A | -2.6455 | |
| 666 | W | A | 0.0000 | |
| 667 | I | A | 0.0000 | |
| 668 | P | A | -1.5679 | |
| 669 | Y | A | -1.0808 | |
| 670 | L | A | 0.0000 | |
| 671 | T | A | -1.2808 | |
| 672 | K | A | -2.0710 | |
| 673 | A | A | 0.0000 | |
| 674 | V | A | 0.0000 | |
| 675 | Q | A | -1.7134 | |
| 676 | T | A | -1.2240 | |
| 677 | A | A | 0.0000 | |
| 678 | P | A | -0.9070 | |
| 679 | T | A | -0.9060 | |
| 680 | A | A | -0.8578 | |
| 681 | D | A | -1.4672 | |
| 682 | R | A | 0.0000 | |
| 683 | R | A | 0.0000 | |
| 684 | N | A | -0.3827 | |
| 685 | A | A | -0.1275 | |
| 686 | I | A | 0.0000 | |
| 687 | I | A | 0.0000 | |
| 688 | M | A | 0.4577 | |
| 689 | A | A | 0.0000 | |
| 690 | L | A | 0.0000 | |
| 691 | G | A | 0.0000 | |
| 692 | A | A | -0.2062 | |
| 693 | L | A | 0.0000 | |
| 694 | K | A | -1.0327 | |
| 695 | H | A | 0.0000 | |
| 696 | K | A | -1.6770 | |
| 697 | D | A | -1.9215 | |
| 698 | I | A | 0.0000 | |
| 699 | I | A | -0.4595 | |
| 700 | P | A | -0.5723 | |
| 701 | A | A | -0.6684 | |
| 702 | L | A | 0.0000 | |
| 703 | L | A | -0.3411 | |
| 704 | P | A | -1.0567 | |
| 705 | L | A | 0.0000 | |
| 706 | V | A | 0.0000 | |
| 707 | E | A | -2.1940 | |
| 708 | G | A | -1.6261 | |
| 709 | H | A | -1.5085 | |
| 710 | G | A | -1.1233 | |
| 711 | P | A | -0.9062 | |
| 712 | I | A | -0.4949 | |
| 713 | E | A | -1.9011 | |
| 714 | Q | A | -1.9762 | |
| 715 | G | A | -1.3403 | |
| 716 | S | A | -0.7766 | |
| 717 | G | A | -0.2567 | |
| 718 | V | A | 1.0112 | |
| 719 | A | A | 0.3235 | |
| 720 | F | A | 0.0000 | |
| 721 | P | A | 0.2364 | |
| 722 | N | A | -0.7220 | |
| 723 | I | A | 0.9364 | |
| 724 | S | A | 0.0000 | |
| 725 | R | A | -0.6572 | |
| 726 | T | A | 0.0000 | |
| 727 | L | A | 0.6220 | |
| 728 | S | A | 0.0000 | |
| 729 | I | A | 0.0000 | |
| 730 | Y | A | 0.3931 | |
| 731 | A | A | 0.0000 | |
| 732 | I | A | 0.0000 | |
| 733 | G | A | 0.0000 | |
| 734 | N | A | -0.6929 | |
| 735 | V | A | 0.0000 | |
| 736 | R | A | -1.1001 | |
| 737 | V | A | -0.1873 | |
| 738 | H | A | -0.9176 | |
| 739 | H | A | -1.0662 | |
| 740 | P | A | -1.1256 | |
| 741 | E | A | -1.7345 | |
| 742 | L | A | -0.4807 | |
| 743 | V | A | 0.0000 | |
| 744 | L | A | -0.2410 | |
| 745 | P | A | -0.1338 | |
| 746 | I | A | 0.3063 | |
| 747 | I | A | 0.0000 | |
| 748 | L | A | 0.0035 | |
| 749 | S | A | -0.2393 | |
| 750 | V | A | -0.4802 | |
| 751 | Y | A | 0.0000 | |
| 752 | S | A | -0.6135 | |
| 753 | N | A | -1.0032 | |
| 754 | P | A | -1.2010 | |
| 755 | A | A | -0.5910 | |
| 756 | E | A | -1.2116 | |
| 757 | N | A | -1.4030 | |
| 758 | T | A | -1.2645 | |
| 759 | Q | A | -1.2225 | |
| 760 | L | A | 0.0000 | |
| 761 | R | A | 0.0000 | |
| 762 | I | A | -0.6353 | |
| 763 | A | A | 0.0000 | |
| 764 | A | A | 0.0000 | |
| 765 | F | A | 0.0000 | |
| 766 | N | A | -0.9390 | |
| 767 | M | A | -0.3275 | |
| 768 | L | A | 0.0000 | |
| 769 | V | A | -0.5103 | |
| 770 | N | A | -1.0804 | |
| 771 | M | A | -0.4861 | |
| 772 | N | A | -0.7520 | |
| 773 | P | A | 0.0000 | |
| 774 | P | A | -0.4755 | |
| 775 | M | A | -0.5786 | |
| 776 | N | A | -1.5570 | |
| 777 | I | A | -0.8773 | |
| 778 | I | A | 0.0000 | |
| 779 | Q | A | -1.0361 | |
| 780 | K | A | -1.5108 | |
| 781 | I | A | 0.0000 | |
| 782 | A | A | 0.0000 | |
| 783 | A | A | -0.1605 | |
| 784 | M | A | -0.3058 | |
| 785 | T | A | 0.0000 | |
| 786 | W | A | 0.2331 | |
| 787 | S | A | -0.3899 | |
| 788 | E | A | -1.2908 | |
| 789 | K | A | -2.0647 | |
| 790 | N | A | -1.8742 | |
| 791 | T | A | -1.6457 | |
| 792 | E | A | -2.2693 | |
| 793 | V | A | 0.0000 | |
| 794 | L | A | -1.5220 | |
| 795 | K | A | -1.8842 | |
| 796 | K | A | -1.1139 | |
| 797 | T | A | 0.0000 | |
| 798 | Y | A | 0.0000 | |
| 799 | T | A | -0.4345 | |
| 800 | G | A | -0.2292 | |
| 801 | F | A | 0.0000 | |
| 802 | Y | A | -0.4581 | |
| 803 | T | A | -0.5112 | |
| 804 | L | A | -0.7396 | |
| 805 | S | A | -0.7703 | |
| 806 | R | A | -1.9461 | |
| 807 | S | A | -1.3329 | |
| 808 | V | A | -1.3802 | |
| 809 | D | A | -1.4231 | |
| 810 | I | A | 0.4033 | |
| 811 | S | A | -0.2650 | |
| 812 | N | A | -1.2151 | |
| 813 | L | A | -0.0718 | |
| 814 | E | A | -1.7323 | |
| 815 | D | A | -1.8849 | |
| 816 | T | A | -1.2594 | |
| 817 | S | A | -1.3070 | |
| 818 | P | A | -1.4342 | |
| 819 | E | A | -2.2444 | |
| 820 | S | A | 0.0000 | |
| 821 | T | A | -1.0028 | |
| 822 | L | A | 0.0000 | |
| 823 | A | A | 0.0000 | |
| 824 | K | A | -0.5094 | |
| 825 | K | A | -0.5500 | |
| 826 | T | A | 0.0000 | |
| 827 | Q | A | 0.2391 | |
| 828 | L | A | 1.2559 | |
| 829 | V | A | 0.0000 | |
| 830 | V | A | 0.0000 | |
| 831 | P | A | 0.1370 | |
| 832 | L | A | 0.7099 | |
| 833 | M | A | 0.0000 | |
| 834 | R | A | -1.6205 | |
| 835 | K | A | -2.1710 | |
| 836 | T | A | -1.4692 | |
| 837 | S | A | -0.8213 | |
| 838 | G | A | -0.4515 | |
| 839 | V | A | 0.0397 | |
| 840 | L | A | 0.6949 | |
| 841 | Q | A | -0.9085 | |
| 842 | G | A | -0.8683 | |
| 843 | G | A | -0.8577 | |
| 844 | S | A | -0.5325 | |
| 845 | G | A | -0.4555 | |
| 846 | V | A | 0.7955 | |
| 847 | E | A | -0.9173 | |
| 848 | M | A | -0.1609 | |
| 849 | S | A | -1.4644 | |
| 850 | D | A | -2.9470 | |
| 851 | Q | A | -3.0425 | |
| 852 | E | A | -3.4391 | |
| 853 | A | A | -2.3927 | |
| 854 | K | A | -2.5602 | |
| 855 | P | A | -1.7166 | |
| 856 | S | A | -1.5375 | |
| 857 | T | A | -1.5090 | |
| 858 | E | A | -2.4683 | |
| 859 | D | A | -2.5765 | |
| 860 | L | A | -0.8730 | |
| 861 | G | A | -2.2734 | |
| 862 | D | A | -3.5956 | |
| 863 | K | A | -4.0840 | |
| 864 | E | A | -4.5327 | |
| 865 | E | A | -3.9811 | |
| 866 | G | A | -2.8155 | |
| 867 | E | A | -2.9062 | |
| 868 | Y | A | -1.3650 | |
| 869 | I | A | 0.0000 | |
| 870 | K | A | -2.8159 | |
| 871 | L | A | 0.0000 | |
| 872 | K | A | -1.6689 | |
| 873 | V | A | 0.0000 | |
| 874 | I | A | -0.9397 | |
| 875 | G | A | -1.7623 | |
| 876 | Q | A | -2.4401 | |
| 877 | D | A | -2.5447 | |
| 878 | S | A | -1.8094 | |
| 879 | S | A | -1.4771 | |
| 880 | E | A | -1.7197 | |
| 881 | I | A | -0.7470 | |
| 882 | H | A | -1.4090 | |
| 883 | F | A | -1.3172 | |
| 884 | K | A | -2.3675 | |
| 885 | V | A | 0.0000 | |
| 886 | K | A | -1.6776 | |
| 887 | M | A | -2.1932 | |
| 888 | T | A | -1.3096 | |
| 889 | T | A | -1.3263 | |
| 890 | H | A | -2.5513 | |
| 891 | L | A | 0.0000 | |
| 892 | K | A | -3.0370 | |
| 893 | K | A | -3.2172 | |
| 894 | L | A | 0.0000 | |
| 895 | K | A | 0.0000 | |
| 896 | E | A | -3.5159 | |
| 897 | S | A | -2.5832 | |
| 898 | Y | A | 0.0000 | |
| 899 | C | A | 0.0000 | |
| 900 | Q | A | -2.8811 | |
| 901 | R | A | -3.1003 | |
| 902 | Q | A | -2.2125 | |
| 903 | G | A | -1.7152 | |
| 904 | V | A | -1.1611 | |
| 905 | P | A | -1.0049 | |
| 906 | M | A | -1.3307 | |
| 907 | N | A | -1.7747 | |
| 908 | S | A | -1.4612 | |
| 909 | L | A | 0.0000 | |
| 910 | T | A | 0.0000 | |
| 911 | F | A | 0.0000 | |
| 912 | L | A | -1.6151 | |
| 913 | F | A | 0.0000 | |
| 914 | E | A | -2.6923 | |
| 915 | G | A | -2.4206 | |
| 916 | Q | A | -2.8494 | |
| 917 | R | A | -2.8499 | |
| 918 | I | A | 0.0000 | |
| 919 | A | A | -1.6102 | |
| 920 | D | A | -2.5783 | |
| 921 | N | A | -2.5230 | |
| 922 | H | A | -2.2609 | |
| 923 | T | A | -2.1763 | |
| 924 | P | A | 0.0000 | |
| 925 | K | A | -3.3253 | |
| 926 | E | A | -2.9383 | |
| 927 | L | A | -2.0557 | |
| 928 | G | A | -2.0008 | |
| 929 | M | A | 0.0000 | |
| 930 | E | A | -3.4147 | |
| 931 | E | A | -3.8847 | |
| 932 | E | A | -3.6069 | |
| 933 | D | A | -2.6631 | |
| 934 | V | A | -1.2458 | |
| 935 | I | A | 0.0000 | |
| 936 | E | A | -1.6392 | |
| 937 | V | A | 0.0000 | |
| 938 | Y | A | -1.2203 | |
| 939 | Q | A | -2.2440 | |
| 940 | E | A | -2.6831 | |
| 941 | Q | A | -2.3553 | |
| 942 | T | A | -1.7164 | |
| 943 | G | A | -1.6204 | |
| 944 | G | A | -1.4518 | |
| 945 | H | A | -1.2303 | |
| 946 | S | A | -0.4618 | |
| 947 | T | A | 0.1090 | |
| 948 | V | A | 1.1281 | |
| 949 | G | A | -0.0098 | |
| 950 | G | A | -0.1670 | |
| 951 | S | A | -0.2877 | |
| 952 | G | A | -0.5908 | |
| 953 | V | A | 0.1006 | |
| 954 | E | A | -2.0452 | |
| 955 | H | A | -2.3478 | |
| 956 | H | A | -2.6913 | |
| 957 | H | A | -2.9362 | |
| 958 | H | A | -2.6870 | |
| 959 | H | A | -2.3923 | |
| 960 | H | A | -1.9106 |
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 | -0.6995 | 3.3375 | View | CSV | PDB |
| 4.5 | -0.7763 | 3.3386 | View | CSV | PDB |
| 5.0 | -0.8706 | 3.342 | View | CSV | PDB |
| 5.5 | -0.9616 | 3.3516 | View | CSV | PDB |
| 6.0 | -1.0272 | 3.3739 | View | CSV | PDB |
| 6.5 | -1.0541 | 3.4125 | View | CSV | PDB |
| 7.0 | -1.0452 | 3.4633 | View | CSV | PDB |
| 7.5 | -1.0142 | 3.52 | View | CSV | PDB |
| 8.0 | -0.9721 | 3.5788 | View | CSV | PDB |
| 8.5 | -0.9229 | 3.6381 | View | CSV | PDB |
| 9.0 | -0.8673 | 3.6971 | 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