| Chain sequence(s) |
A: HHHHHHWQAGKEHIFHYTGRLLSGIPGLRPHFSGIGIETEVHLQVKSLEDIRLNLRQVNYTQVNGPLSPGLPHVTSSYEGSNWRYVLLPQFTQAPIDIKKLLKVPITFAIHDGEIKTITVSGTEQKWSLNFKKALVALFQTKMETSTLDNKMNTIVKDSDSTKNYWKVSEETIEGVCDVIYQVNELPEYIVKERAHYFPHLEACTSKKFYEITKTKNIDSCKKSAVYTFMKPAVKAKKCNSFKCLSNTFGSASSMTRYYACGPRSNWILQTIVNEGEIVQRPVGVKSETITTGTRQVLKLRTIQPISSEVPKPPQPRTTEKIMYEYINAGQVSRQQIGIIPKIPQSELKSGEIYKYLPRHFNPAPSSTESKQHLSATKIKAELKSYIISIIDDLSSVEELAQKEIPLRLTTFIRGMTLLKVEDIKSLYTDLKSTVYSPAHSNQEKISMFHNIFFDAVMVSGTTPAVLFLKDMIKSKEIPTYQATYLLMLLPHHIITPTKEVFTSLLEIIQSEIVISNTILYNTAILSMSNLVEKTCLDKSRQVSYPTAVFGQFCDAQSEIVTEKWIPYLTKAVQTAPTADRRNAIIMALGALKHKDIIPALLPLVEGHGPIEQGSGVAFPNISRTLSIYAIGNVRVHHPELVLPIILSVYSNPAENTQLRIAAFNMLVNMNPPMNIIQKIAAMTWSEKNTEVLKKTYTGFYTLSRSVDISNLEDTSPESTLAKKTQLVVPLMRKTSGVLQGGSGVEHHHHHH
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. (00:00:06)
[INFO] FoldX: Starting FoldX energy minimization (00:00:06)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:20:00)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/2d461336fbb5c6e/tmp/folded.pdb (00:20:00)
[INFO] Main: Simulation completed successfully. (00:31:42)
|
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 | -1.9002 | |
| 2 | H | A | -2.3088 | |
| 3 | H | A | -2.6642 | |
| 4 | H | A | -2.3918 | |
| 5 | H | A | -1.8958 | |
| 6 | H | A | -1.1178 | |
| 7 | W | A | 0.0000 | |
| 8 | Q | A | -1.5526 | |
| 9 | A | A | -1.0883 | |
| 10 | G | A | -1.3623 | |
| 11 | K | A | -1.1747 | |
| 12 | E | A | 0.0000 | |
| 13 | H | A | 0.0000 | |
| 14 | I | A | 0.0000 | |
| 15 | F | A | 0.0000 | |
| 16 | H | A | -1.1654 | |
| 17 | Y | A | 0.0000 | |
| 18 | T | A | -0.3264 | |
| 19 | G | A | 0.0000 | |
| 20 | R | A | 0.2266 | |
| 21 | L | A | 0.7629 | |
| 22 | L | A | 0.0000 | |
| 23 | S | A | 0.1591 | |
| 24 | G | A | 0.0000 | |
| 25 | I | A | 0.0954 | |
| 26 | P | A | -0.2855 | |
| 27 | G | A | -0.3275 | |
| 28 | L | A | 0.1146 | |
| 29 | R | A | -1.5037 | |
| 30 | P | A | -1.1680 | |
| 31 | H | A | -1.6310 | |
| 32 | F | A | 0.0000 | |
| 33 | S | A | -0.9120 | |
| 34 | G | A | -0.2467 | |
| 35 | I | A | 0.2929 | |
| 36 | G | A | 0.0000 | |
| 37 | I | A | 0.0543 | |
| 38 | E | A | -0.8408 | |
| 39 | T | A | 0.0000 | |
| 40 | E | A | -1.5693 | |
| 41 | V | A | 0.0000 | |
| 42 | H | A | -0.3442 | |
| 43 | L | A | 0.0000 | |
| 44 | Q | A | 0.0000 | |
| 45 | V | A | 0.0000 | |
| 46 | K | A | -1.8460 | |
| 47 | S | A | -1.3961 | |
| 48 | L | A | -1.4102 | |
| 49 | E | A | -2.2283 | |
| 50 | D | A | -1.5072 | |
| 51 | I | A | 0.0000 | |
| 52 | R | A | 0.0000 | |
| 53 | L | A | 0.0000 | |
| 54 | N | A | 0.0000 | |
| 55 | L | A | 0.0000 | |
| 56 | R | A | -2.3593 | |
| 57 | Q | A | -2.4364 | |
| 58 | V | A | 0.0000 | |
| 59 | N | A | -1.3387 | |
| 60 | Y | A | -0.5751 | |
| 61 | T | A | 0.0000 | |
| 62 | Q | A | -1.1974 | |
| 63 | V | A | 0.0000 | |
| 64 | N | A | -1.8594 | |
| 65 | G | A | -1.6154 | |
| 66 | P | A | -1.2827 | |
| 67 | L | A | 0.0000 | |
| 68 | S | A | 0.0350 | |
| 69 | P | A | 0.1559 | |
| 70 | G | A | 0.4355 | |
| 71 | L | A | 0.1690 | |
| 72 | P | A | -0.3273 | |
| 73 | H | A | -0.7808 | |
| 74 | V | A | 0.0611 | |
| 75 | T | A | -0.1887 | |
| 76 | S | A | -0.1157 | |
| 77 | S | A | -0.0538 | |
| 78 | Y | A | 0.0404 | |
| 79 | E | A | -0.2089 | |
| 80 | G | A | 0.0000 | |
| 81 | S | A | -0.1948 | |
| 82 | N | A | 0.0154 | |
| 83 | W | A | 0.0000 | |
| 84 | R | A | 0.0000 | |
| 85 | Y | A | 0.5396 | |
| 86 | V | A | 0.0000 | |
| 87 | L | A | 1.3305 | |
| 88 | L | A | 0.5290 | |
| 89 | P | A | -0.3465 | |
| 90 | Q | A | -0.9880 | |
| 91 | F | A | -0.5348 | |
| 92 | T | A | -0.8903 | |
| 93 | Q | A | -1.2910 | |
| 94 | A | A | 0.0000 | |
| 95 | P | A | -0.2567 | |
| 96 | I | A | 0.4252 | |
| 97 | D | A | -1.4579 | |
| 98 | I | A | -0.8769 | |
| 99 | K | A | -1.8048 | |
| 100 | K | A | -2.1070 | |
| 101 | L | A | -1.2010 | |
| 102 | L | A | 0.0000 | |
| 103 | K | A | -2.2023 | |
| 104 | V | A | -0.9775 | |
| 105 | P | A | 0.0000 | |
| 106 | I | A | 0.0000 | |
| 107 | T | A | 0.0000 | |
| 108 | F | A | 0.0000 | |
| 109 | A | A | 0.0000 | |
| 110 | I | A | 0.0000 | |
| 111 | H | A | -1.8785 | |
| 112 | D | A | -2.4554 | |
| 113 | G | A | -1.3932 | |
| 114 | E | A | -1.1252 | |
| 115 | I | A | 0.0000 | |
| 116 | K | A | -1.9337 | |
| 117 | T | A | -1.5046 | |
| 118 | I | A | 0.0000 | |
| 119 | T | A | -1.3873 | |
| 120 | V | A | 0.0000 | |
| 121 | S | A | 0.0000 | |
| 122 | G | A | -1.9487 | |
| 123 | T | A | -1.2825 | |
| 124 | E | A | -1.4709 | |
| 125 | Q | A | -1.8065 | |
| 126 | K | A | -2.1626 | |
| 127 | W | A | -0.8792 | |
| 128 | S | A | 0.0000 | |
| 129 | L | A | -0.9452 | |
| 130 | N | A | -1.1263 | |
| 131 | F | A | -0.2884 | |
| 132 | K | A | 0.0000 | |
| 133 | K | A | -0.3513 | |
| 134 | A | A | -0.1866 | |
| 135 | L | A | 0.0000 | |
| 136 | V | A | 0.0000 | |
| 137 | A | A | -0.0319 | |
| 138 | L | A | 0.0000 | |
| 139 | F | A | 0.0000 | |
| 140 | Q | A | 0.0000 | |
| 141 | T | A | 0.0000 | |
| 142 | K | A | 0.0000 | |
| 143 | M | A | 0.0000 | |
| 144 | E | A | -1.0492 | |
| 145 | T | A | -1.0025 | |
| 146 | S | A | -0.9756 | |
| 147 | T | A | -1.1178 | |
| 148 | L | A | -1.6926 | |
| 149 | D | A | -2.7624 | |
| 150 | N | A | -2.8775 | |
| 151 | K | A | -2.6792 | |
| 152 | M | A | -1.1741 | |
| 153 | N | A | -0.8021 | |
| 154 | T | A | -1.1014 | |
| 155 | I | A | 0.0000 | |
| 156 | V | A | -1.0395 | |
| 157 | K | A | -1.9919 | |
| 158 | D | A | -2.6554 | |
| 159 | S | A | -2.2058 | |
| 160 | D | A | -2.4843 | |
| 161 | S | A | -1.9755 | |
| 162 | T | A | -1.6125 | |
| 163 | K | A | -1.2989 | |
| 164 | N | A | -0.5010 | |
| 165 | Y | A | -0.4302 | |
| 166 | W | A | 0.0000 | |
| 167 | K | A | -1.1007 | |
| 168 | V | A | 0.0000 | |
| 169 | S | A | 0.0000 | |
| 170 | E | A | 0.0000 | |
| 171 | E | A | -0.4160 | |
| 172 | T | A | -0.0771 | |
| 173 | I | A | -0.0186 | |
| 174 | E | A | -0.4078 | |
| 175 | G | A | 0.0000 | |
| 176 | V | A | 0.0000 | |
| 177 | C | A | 0.0000 | |
| 178 | D | A | -0.6547 | |
| 179 | V | A | 0.0000 | |
| 180 | I | A | 0.0000 | |
| 181 | Y | A | 0.0000 | |
| 182 | Q | A | 0.0000 | |
| 183 | V | A | 0.0000 | |
| 184 | N | A | 0.0000 | |
| 185 | E | A | -0.7524 | |
| 186 | L | A | 0.0000 | |
| 187 | P | A | -1.0456 | |
| 188 | E | A | -2.2926 | |
| 189 | Y | A | -0.6160 | |
| 190 | I | A | 0.0000 | |
| 191 | V | A | 0.0000 | |
| 192 | K | A | -2.6233 | |
| 193 | E | A | -2.6382 | |
| 194 | R | A | 0.0000 | |
| 195 | A | A | -1.4267 | |
| 196 | H | A | -1.2001 | |
| 197 | Y | A | -0.6473 | |
| 198 | F | A | 0.0000 | |
| 199 | P | A | -0.9345 | |
| 200 | H | A | -0.9538 | |
| 201 | L | A | -1.0348 | |
| 202 | E | A | -1.9028 | |
| 203 | A | A | -0.8953 | |
| 204 | C | A | 0.0000 | |
| 205 | T | A | -1.0557 | |
| 206 | S | A | -1.0967 | |
| 207 | K | A | -2.4378 | |
| 208 | K | A | -1.6633 | |
| 209 | F | A | 0.0000 | |
| 210 | Y | A | 0.0000 | |
| 211 | E | A | 0.0000 | |
| 212 | I | A | 0.0000 | |
| 213 | T | A | 0.0000 | |
| 214 | K | A | 0.0000 | |
| 215 | T | A | 0.0000 | |
| 216 | K | A | -0.4744 | |
| 217 | N | A | 0.0000 | |
| 218 | I | A | 0.0000 | |
| 219 | D | A | 0.0000 | |
| 220 | S | A | -0.9602 | |
| 221 | C | A | 0.0000 | |
| 222 | K | A | -2.6571 | |
| 223 | K | A | -2.5587 | |
| 224 | S | A | -1.2562 | |
| 225 | A | A | 0.0360 | |
| 226 | V | A | 1.1856 | |
| 227 | Y | A | 2.1217 | |
| 228 | T | A | 1.6174 | |
| 229 | F | A | 1.9939 | |
| 230 | M | A | 0.7292 | |
| 231 | K | A | -0.8825 | |
| 232 | P | A | -0.5938 | |
| 233 | A | A | -0.2489 | |
| 234 | V | A | 0.1476 | |
| 235 | K | A | -1.7224 | |
| 236 | A | A | -1.5272 | |
| 237 | K | A | -2.8301 | |
| 238 | K | A | -2.9639 | |
| 239 | C | A | -1.8489 | |
| 240 | N | A | -2.5363 | |
| 241 | S | A | -1.8496 | |
| 242 | F | A | 0.0000 | |
| 243 | K | A | -1.7079 | |
| 244 | C | A | -1.2815 | |
| 245 | L | A | -0.8605 | |
| 246 | S | A | 0.0000 | |
| 247 | N | A | -1.5844 | |
| 248 | T | A | -1.0457 | |
| 249 | F | A | -0.1041 | |
| 250 | G | A | -0.3218 | |
| 251 | S | A | 0.0000 | |
| 252 | A | A | 0.0000 | |
| 253 | S | A | 0.0000 | |
| 254 | S | A | 0.0000 | |
| 255 | M | A | 0.0000 | |
| 256 | T | A | 0.0000 | |
| 257 | R | A | 0.0000 | |
| 258 | Y | A | 0.0000 | |
| 259 | Y | A | 0.0000 | |
| 260 | A | A | 0.0000 | |
| 261 | C | A | 0.0000 | |
| 262 | G | A | 0.0000 | |
| 263 | P | A | -1.0227 | |
| 264 | R | A | 0.0000 | |
| 265 | S | A | -1.1107 | |
| 266 | N | A | -1.1327 | |
| 267 | W | A | 0.0000 | |
| 268 | I | A | 0.2867 | |
| 269 | L | A | 0.0000 | |
| 270 | Q | A | 0.0000 | |
| 271 | T | A | 0.0000 | |
| 272 | I | A | 0.0000 | |
| 273 | V | A | 0.0000 | |
| 274 | N | A | -0.1648 | |
| 275 | E | A | 0.0000 | |
| 276 | G | A | 0.1023 | |
| 277 | E | A | 0.0000 | |
| 278 | I | A | 0.7948 | |
| 279 | V | A | 0.0000 | |
| 280 | Q | A | -0.1833 | |
| 281 | R | A | -0.6417 | |
| 282 | P | A | 0.0684 | |
| 283 | V | A | 0.9009 | |
| 284 | G | A | -0.0882 | |
| 285 | V | A | -0.2360 | |
| 286 | K | A | -1.6020 | |
| 287 | S | A | -1.2060 | |
| 288 | E | A | -1.6529 | |
| 289 | T | A | -0.5675 | |
| 290 | I | A | 0.1993 | |
| 291 | T | A | 0.0000 | |
| 292 | T | A | 0.5447 | |
| 293 | G | A | 0.0000 | |
| 294 | T | A | 0.2662 | |
| 295 | R | A | -0.0872 | |
| 296 | Q | A | 0.0000 | |
| 297 | V | A | -0.0912 | |
| 298 | L | A | 0.0000 | |
| 299 | K | A | -1.1226 | |
| 300 | L | A | 0.0000 | |
| 301 | R | A | -1.7810 | |
| 302 | T | A | -0.7292 | |
| 303 | I | A | 0.0173 | |
| 304 | Q | A | -0.5281 | |
| 305 | P | A | -0.6420 | |
| 306 | I | A | -0.8081 | |
| 307 | S | A | -0.8164 | |
| 308 | S | A | -1.1653 | |
| 309 | E | A | -2.2473 | |
| 310 | V | A | 0.0000 | |
| 311 | P | A | -1.2905 | |
| 312 | K | A | -1.6725 | |
| 313 | P | A | 0.0000 | |
| 314 | P | A | -1.4707 | |
| 315 | Q | A | -2.1612 | |
| 316 | P | A | -2.1201 | |
| 317 | R | A | -2.6529 | |
| 318 | T | A | -1.6627 | |
| 319 | T | A | -1.4299 | |
| 320 | E | A | -2.0214 | |
| 321 | K | A | 0.0000 | |
| 322 | I | A | 0.5769 | |
| 323 | M | A | 0.4266 | |
| 324 | Y | A | 1.1835 | |
| 325 | E | A | 0.0533 | |
| 326 | Y | A | 1.2223 | |
| 327 | I | A | 1.4742 | |
| 328 | N | A | -0.5789 | |
| 329 | A | A | -0.0451 | |
| 330 | G | A | -0.5873 | |
| 331 | Q | A | -1.1154 | |
| 332 | V | A | 0.2006 | |
| 333 | S | A | -1.2803 | |
| 334 | R | A | -2.2368 | |
| 335 | Q | A | -1.9562 | |
| 336 | Q | A | -1.1779 | |
| 337 | I | A | 1.3142 | |
| 338 | G | A | 1.3766 | |
| 339 | I | A | 2.5238 | |
| 340 | I | A | 2.4509 | |
| 341 | P | A | 0.7304 | |
| 342 | K | A | -0.4353 | |
| 343 | I | A | 0.4312 | |
| 344 | P | A | -0.9205 | |
| 345 | Q | A | -1.9260 | |
| 346 | S | A | -1.8170 | |
| 347 | E | A | -2.3644 | |
| 348 | L | A | -1.5370 | |
| 349 | K | A | -2.6663 | |
| 350 | S | A | -1.5678 | |
| 351 | G | A | -1.1769 | |
| 352 | E | A | -0.9727 | |
| 353 | I | A | -0.0944 | |
| 354 | Y | A | -0.0962 | |
| 355 | K | A | -1.0418 | |
| 356 | Y | A | 0.2880 | |
| 357 | L | A | -0.0484 | |
| 358 | P | A | -0.9444 | |
| 359 | R | A | -2.3485 | |
| 360 | H | A | -1.7541 | |
| 361 | F | A | -0.7337 | |
| 362 | N | A | -1.4783 | |
| 363 | P | A | -0.9563 | |
| 364 | A | A | -0.4794 | |
| 365 | P | A | -0.8150 | |
| 366 | S | A | -0.8151 | |
| 367 | S | A | -0.9859 | |
| 368 | T | A | -1.4249 | |
| 369 | E | A | -2.6910 | |
| 370 | S | A | -2.5100 | |
| 371 | K | A | -2.9644 | |
| 372 | Q | A | -2.7027 | |
| 373 | H | A | -1.8816 | |
| 374 | L | A | -0.7626 | |
| 375 | S | A | -0.7036 | |
| 376 | A | A | -0.8842 | |
| 377 | T | A | -0.9327 | |
| 378 | K | A | -1.7819 | |
| 379 | I | A | 0.0000 | |
| 380 | K | A | -1.4366 | |
| 381 | A | A | -1.6909 | |
| 382 | E | A | -2.2338 | |
| 383 | L | A | 0.0000 | |
| 384 | K | A | -1.3701 | |
| 385 | S | A | -0.7506 | |
| 386 | Y | A | -0.2541 | |
| 387 | I | A | 0.0000 | |
| 388 | I | A | -0.1684 | |
| 389 | S | A | -0.4853 | |
| 390 | I | A | 0.0000 | |
| 391 | I | A | 0.0000 | |
| 392 | D | A | -1.6777 | |
| 393 | D | A | -1.2362 | |
| 394 | L | A | -0.1922 | |
| 395 | S | A | -0.7603 | |
| 396 | S | A | -0.3922 | |
| 397 | V | A | 0.6139 | |
| 398 | E | A | -1.8176 | |
| 399 | E | A | -2.5319 | |
| 400 | L | A | -0.8944 | |
| 401 | A | A | -1.4860 | |
| 402 | Q | A | -2.3813 | |
| 403 | K | A | -1.9462 | |
| 404 | E | A | -1.9669 | |
| 405 | I | A | -0.5164 | |
| 406 | P | A | -0.0893 | |
| 407 | L | A | 0.6773 | |
| 408 | R | A | 0.0627 | |
| 409 | L | A | 0.3310 | |
| 410 | T | A | 0.4275 | |
| 411 | T | A | 0.2775 | |
| 412 | F | A | 0.0000 | |
| 413 | I | A | 0.2981 | |
| 414 | R | A | -0.2107 | |
| 415 | G | A | -0.3209 | |
| 416 | M | A | 0.0000 | |
| 417 | T | A | 0.3943 | |
| 418 | L | A | 0.3247 | |
| 419 | L | A | 0.0000 | |
| 420 | K | A | -1.1973 | |
| 421 | V | A | -1.2736 | |
| 422 | E | A | -2.2278 | |
| 423 | D | A | -1.4668 | |
| 424 | I | A | 0.0000 | |
| 425 | K | A | -1.7137 | |
| 426 | S | A | -1.5364 | |
| 427 | L | A | 0.0000 | |
| 428 | Y | A | 0.0000 | |
| 429 | T | A | -1.2809 | |
| 430 | D | A | -2.0492 | |
| 431 | L | A | 0.0000 | |
| 432 | K | A | -0.8681 | |
| 433 | S | A | -0.7384 | |
| 434 | T | A | -0.5293 | |
| 435 | V | A | 0.0000 | |
| 436 | Y | A | 0.2155 | |
| 437 | S | A | -0.1126 | |
| 438 | P | A | -0.3635 | |
| 439 | A | A | -0.3171 | |
| 440 | H | A | -0.9541 | |
| 441 | S | A | -1.1780 | |
| 442 | N | A | -2.1641 | |
| 443 | Q | A | -2.4632 | |
| 444 | E | A | -2.7722 | |
| 445 | K | A | -1.9408 | |
| 446 | I | A | -1.2262 | |
| 447 | S | A | -1.2695 | |
| 448 | M | A | -0.9973 | |
| 449 | F | A | 0.0000 | |
| 450 | H | A | -0.8506 | |
| 451 | N | A | -0.8773 | |
| 452 | I | A | -0.3082 | |
| 453 | F | A | 0.0000 | |
| 454 | F | A | 0.0000 | |
| 455 | D | A | -0.4910 | |
| 456 | A | A | 0.0000 | |
| 457 | V | A | 0.0000 | |
| 458 | M | A | 0.0000 | |
| 459 | V | A | 0.1775 | |
| 460 | S | A | 0.0000 | |
| 461 | G | A | 0.0000 | |
| 462 | T | A | 0.2747 | |
| 463 | T | A | -0.3610 | |
| 464 | P | A | -0.5871 | |
| 465 | A | A | 0.0000 | |
| 466 | V | A | 0.0000 | |
| 467 | L | A | -0.5210 | |
| 468 | F | A | 0.0000 | |
| 469 | L | A | 0.0000 | |
| 470 | K | A | -0.8604 | |
| 471 | D | A | -1.6260 | |
| 472 | M | A | -1.3410 | |
| 473 | I | A | 0.0000 | |
| 474 | K | A | -2.1990 | |
| 475 | S | A | -1.7211 | |
| 476 | K | A | -2.3731 | |
| 477 | E | A | -1.7324 | |
| 478 | I | A | 0.0000 | |
| 479 | P | A | -0.2985 | |
| 480 | T | A | 0.5579 | |
| 481 | Y | A | 1.7535 | |
| 482 | Q | A | 0.0000 | |
| 483 | A | A | 0.0000 | |
| 484 | T | A | 1.3980 | |
| 485 | Y | A | 1.4711 | |
| 486 | L | A | 0.0000 | |
| 487 | L | A | 0.0000 | |
| 488 | M | A | 0.9313 | |
| 489 | L | A | 0.4373 | |
| 490 | L | A | 0.0000 | |
| 491 | P | A | 0.0000 | |
| 492 | H | A | -0.9102 | |
| 493 | H | A | -0.4162 | |
| 494 | I | A | 0.0000 | |
| 495 | I | A | 0.4692 | |
| 496 | T | A | 0.0000 | |
| 497 | P | A | 0.0000 | |
| 498 | T | A | 0.0000 | |
| 499 | K | A | -1.6631 | |
| 500 | E | A | -2.0376 | |
| 501 | V | A | 0.0000 | |
| 502 | F | A | 0.0000 | |
| 503 | T | A | -1.1390 | |
| 504 | S | A | 0.0000 | |
| 505 | L | A | 0.0000 | |
| 506 | L | A | -0.9774 | |
| 507 | E | A | -1.7333 | |
| 508 | I | A | 0.0000 | |
| 509 | I | A | 0.0000 | |
| 510 | Q | A | -1.7879 | |
| 511 | S | A | 0.0000 | |
| 512 | E | A | -2.0626 | |
| 513 | I | A | -1.2491 | |
| 514 | V | A | 0.0000 | |
| 515 | I | A | -0.1689 | |
| 516 | S | A | -0.2288 | |
| 517 | N | A | 0.1702 | |
| 518 | T | A | 0.5500 | |
| 519 | I | A | 1.8493 | |
| 520 | L | A | 0.0000 | |
| 521 | Y | A | 0.0000 | |
| 522 | N | A | 0.4782 | |
| 523 | T | A | 0.9344 | |
| 524 | A | A | 0.0000 | |
| 525 | I | A | 0.0000 | |
| 526 | L | A | 0.5119 | |
| 527 | S | A | 0.0000 | |
| 528 | M | A | 0.0000 | |
| 529 | S | A | 0.0000 | |
| 530 | N | A | -0.5174 | |
| 531 | L | A | 0.0000 | |
| 532 | V | A | 0.0000 | |
| 533 | E | A | 0.0000 | |
| 534 | K | A | -1.3767 | |
| 535 | T | A | 0.0000 | |
| 536 | C | A | 0.0000 | |
| 537 | L | A | 0.0000 | |
| 538 | D | A | -1.7926 | |
| 539 | K | A | -2.1854 | |
| 540 | S | A | -1.1513 | |
| 541 | R | A | -1.3322 | |
| 542 | Q | A | -0.9639 | |
| 543 | V | A | 0.8137 | |
| 544 | S | A | 0.0016 | |
| 545 | Y | A | 0.4211 | |
| 546 | P | A | 0.7427 | |
| 547 | T | A | 0.3692 | |
| 548 | A | A | 0.7532 | |
| 549 | V | A | 1.6305 | |
| 550 | F | A | 1.3040 | |
| 551 | G | A | 0.4334 | |
| 552 | Q | A | -0.1730 | |
| 553 | F | A | -0.4750 | |
| 554 | C | A | 0.0000 | |
| 555 | D | A | -1.5292 | |
| 556 | A | A | -1.4363 | |
| 557 | Q | A | -2.1196 | |
| 558 | S | A | -2.1838 | |
| 559 | E | A | -3.3374 | |
| 560 | I | A | 0.0000 | |
| 561 | V | A | 0.0000 | |
| 562 | T | A | -2.5225 | |
| 563 | E | A | -3.3677 | |
| 564 | K | A | -2.7676 | |
| 565 | W | A | 0.0000 | |
| 566 | I | A | 0.0000 | |
| 567 | P | A | -1.5989 | |
| 568 | Y | A | -1.2408 | |
| 569 | L | A | 0.0000 | |
| 570 | T | A | -1.2711 | |
| 571 | K | A | -2.0858 | |
| 572 | A | A | 0.0000 | |
| 573 | V | A | 0.0000 | |
| 574 | Q | A | -1.6680 | |
| 575 | T | A | -1.2071 | |
| 576 | A | A | -1.1010 | |
| 577 | P | A | -0.9161 | |
| 578 | T | A | -0.8443 | |
| 579 | A | A | -0.7096 | |
| 580 | D | A | -1.6724 | |
| 581 | R | A | 0.0000 | |
| 582 | R | A | 0.0000 | |
| 583 | N | A | -0.4342 | |
| 584 | A | A | -0.1514 | |
| 585 | I | A | 0.0000 | |
| 586 | I | A | 0.0000 | |
| 587 | M | A | 0.4818 | |
| 588 | A | A | 0.0000 | |
| 589 | L | A | 0.0000 | |
| 590 | G | A | 0.0000 | |
| 591 | A | A | -0.0966 | |
| 592 | L | A | 0.0000 | |
| 593 | K | A | -0.7019 | |
| 594 | H | A | 0.0000 | |
| 595 | K | A | -1.3931 | |
| 596 | D | A | -1.5564 | |
| 597 | I | A | 0.0000 | |
| 598 | I | A | 0.0000 | |
| 599 | P | A | -0.9660 | |
| 600 | A | A | 0.0000 | |
| 601 | L | A | 0.0000 | |
| 602 | L | A | 0.0000 | |
| 603 | P | A | -0.4101 | |
| 604 | L | A | 0.0000 | |
| 605 | V | A | 0.0000 | |
| 606 | E | A | 0.0000 | |
| 607 | G | A | -0.5223 | |
| 608 | H | A | -0.4572 | |
| 609 | G | A | 0.0000 | |
| 610 | P | A | -0.2826 | |
| 611 | I | A | 0.6161 | |
| 612 | E | A | -0.5585 | |
| 613 | Q | A | -1.3209 | |
| 614 | G | A | -0.9647 | |
| 615 | S | A | -0.2953 | |
| 616 | G | A | 0.0890 | |
| 617 | V | A | 1.4622 | |
| 618 | A | A | 0.7160 | |
| 619 | F | A | 0.0000 | |
| 620 | P | A | 0.3356 | |
| 621 | N | A | -0.6858 | |
| 622 | I | A | 1.0627 | |
| 623 | S | A | 0.0000 | |
| 624 | R | A | -0.2482 | |
| 625 | T | A | 0.0000 | |
| 626 | L | A | 0.6563 | |
| 627 | S | A | 0.0000 | |
| 628 | I | A | 0.0000 | |
| 629 | Y | A | 0.3828 | |
| 630 | A | A | 0.0000 | |
| 631 | I | A | 0.0000 | |
| 632 | G | A | 0.0000 | |
| 633 | N | A | -0.4500 | |
| 634 | V | A | 0.0000 | |
| 635 | R | A | -0.6036 | |
| 636 | V | A | 0.8826 | |
| 637 | H | A | -0.6075 | |
| 638 | H | A | -0.9151 | |
| 639 | P | A | -1.1038 | |
| 640 | E | A | -1.9143 | |
| 641 | L | A | -1.1645 | |
| 642 | V | A | 0.0000 | |
| 643 | L | A | -0.4353 | |
| 644 | P | A | -0.4447 | |
| 645 | I | A | 0.0000 | |
| 646 | I | A | 0.0000 | |
| 647 | L | A | 0.0000 | |
| 648 | S | A | -0.0538 | |
| 649 | V | A | 0.0000 | |
| 650 | Y | A | 0.0000 | |
| 651 | S | A | 0.0000 | |
| 652 | N | A | -0.3421 | |
| 653 | P | A | -0.5675 | |
| 654 | A | A | -0.1960 | |
| 655 | E | A | 0.0000 | |
| 656 | N | A | -1.2660 | |
| 657 | T | A | -1.3030 | |
| 658 | Q | A | -1.2186 | |
| 659 | L | A | 0.0000 | |
| 660 | R | A | 0.0000 | |
| 661 | I | A | -0.7694 | |
| 662 | A | A | 0.0000 | |
| 663 | A | A | 0.0000 | |
| 664 | F | A | 0.0000 | |
| 665 | N | A | -0.5464 | |
| 666 | M | A | 0.0000 | |
| 667 | L | A | 0.0000 | |
| 668 | V | A | -0.6726 | |
| 669 | N | A | -1.5239 | |
| 670 | M | A | -0.7920 | |
| 671 | N | A | -1.3461 | |
| 672 | P | A | 0.0000 | |
| 673 | P | A | -0.5269 | |
| 674 | M | A | -0.1297 | |
| 675 | N | A | -0.1953 | |
| 676 | I | A | 0.0000 | |
| 677 | I | A | 0.0000 | |
| 678 | Q | A | 0.0000 | |
| 679 | K | A | 0.0000 | |
| 680 | I | A | 0.0000 | |
| 681 | A | A | 0.0000 | |
| 682 | A | A | 0.0000 | |
| 683 | M | A | 0.0000 | |
| 684 | T | A | 0.0000 | |
| 685 | W | A | 0.0000 | |
| 686 | S | A | -0.5454 | |
| 687 | E | A | -1.3089 | |
| 688 | K | A | -1.8358 | |
| 689 | N | A | -1.8696 | |
| 690 | T | A | -1.9128 | |
| 691 | E | A | -2.7660 | |
| 692 | V | A | 0.0000 | |
| 693 | L | A | 0.0000 | |
| 694 | K | A | -2.3031 | |
| 695 | K | A | -1.6171 | |
| 696 | T | A | 0.0000 | |
| 697 | Y | A | 0.0000 | |
| 698 | T | A | -0.5114 | |
| 699 | G | A | -0.2985 | |
| 700 | F | A | 0.0000 | |
| 701 | Y | A | -0.2518 | |
| 702 | T | A | -0.3626 | |
| 703 | L | A | -0.2049 | |
| 704 | S | A | 0.0000 | |
| 705 | R | A | -1.9350 | |
| 706 | S | A | -1.0517 | |
| 707 | V | A | -0.9999 | |
| 708 | D | A | -1.9962 | |
| 709 | I | A | -1.1936 | |
| 710 | S | A | -1.3778 | |
| 711 | N | A | -2.4794 | |
| 712 | L | A | -1.9794 | |
| 713 | E | A | -3.1071 | |
| 714 | D | A | -3.2798 | |
| 715 | T | A | -2.1231 | |
| 716 | S | A | -1.6766 | |
| 717 | P | A | -1.4668 | |
| 718 | E | A | -2.3732 | |
| 719 | S | A | -1.5090 | |
| 720 | T | A | -0.6890 | |
| 721 | L | A | -0.4931 | |
| 722 | A | A | 0.0000 | |
| 723 | K | A | -0.8497 | |
| 724 | K | A | -0.3468 | |
| 725 | T | A | 0.0000 | |
| 726 | Q | A | 0.0000 | |
| 727 | L | A | 0.0508 | |
| 728 | V | A | 0.0000 | |
| 729 | V | A | 0.1358 | |
| 730 | P | A | -0.0274 | |
| 731 | L | A | 0.0000 | |
| 732 | M | A | 0.0000 | |
| 733 | R | A | -0.8876 | |
| 734 | K | A | -1.1301 | |
| 735 | T | A | 0.0000 | |
| 736 | S | A | -0.5388 | |
| 737 | G | A | -0.2974 | |
| 738 | V | A | 0.2905 | |
| 739 | L | A | 0.7754 | |
| 740 | Q | A | -0.7941 | |
| 741 | G | A | -0.8509 | |
| 742 | G | A | -0.8204 | |
| 743 | S | A | -0.6843 | |
| 744 | G | A | -0.6591 | |
| 745 | V | A | 0.0666 | |
| 746 | E | A | -2.0784 | |
| 747 | H | A | -2.3598 | |
| 748 | H | A | -2.7370 | |
| 749 | H | A | -2.9784 | |
| 750 | H | A | -2.7087 | |
| 751 | H | A | -2.4157 | |
| 752 | H | A | -1.9119 |
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 | -0.5533 | 4.5401 | View | CSV | PDB |
| 4.5 | -0.6043 | 4.5448 | View | CSV | PDB |
| 5.0 | -0.6634 | 4.558 | View | CSV | PDB |
| 5.5 | -0.7147 | 4.5892 | View | CSV | PDB |
| 6.0 | -0.7418 | 4.6724 | View | CSV | PDB |
| 6.5 | -0.7379 | 4.7851 | View | CSV | PDB |
| 7.0 | -0.7102 | 4.9124 | View | CSV | PDB |
| 7.5 | -0.6704 | 5.0451 | View | CSV | PDB |
| 8.0 | -0.6251 | 5.1792 | View | CSV | PDB |
| 8.5 | -0.575 | 5.3128 | View | CSV | PDB |
| 9.0 | -0.5199 | 5.4429 | 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