| Chain sequence(s) |
A: EEKKVCQGTSNKLTQLGTFEDHFLSLQRMFNNCEVVLGNLEITYVQRNYDLSFLKTIQEVAGYVLIALNTVERIPLENLQIIRGNMYYENSYALAVLSNYDANKTGLKELPMRNLQEILHGAVRFSNNPALCNVESIQWRDIVSSDFLSNMSMDFQNHLGSCQKCDPSCPNGSCWGAGEENCQKLTKIICAQQCSGRCRGKSPSDCCHNQCAAGCTGPRESDCLVCRKFRDEATCKDTCPPLMLYNPTTYQMDVNPEGKYSFGATCVKKCPRNYVVTDHGSCVRACGADSYEMEEDGVRKCKKCEGPCRKVCNGIGIGEFKDSLSINATNIKHFKNCTSISGDLHILPVAFRGDSFTHTPPLDPQELDILKTVKEITGFLLIQAWPENRTDLHAFENLEIIRGRTKQHGQFSLAVVSLNITSLGLRSLKEISDGDVIISGNKNLCYANTINWKKLFGTSGQKTKIISNRGENSCKATGQVCHALCSPEGCWGPEPRDCVSCRNVSRGRECVDKCNLLEGEPREFVENSECIQCHPECLPQAMNITCTGRGPDNCIQCAHYIDGPHCVKTCPAGVMGENNTLVWKYADAGHVCHLCHPNCTYGCTGPGLEGCPT
B: DVPRDLEVVAATPTSLLISWDSGRGSYQYYRITYGETGGNSPVQEFTVPGPVHTATISGLKPGVDYTITVYAVTDHKPHADGPHTYHESPISINYRTEID input PDB |
| Selected Chain(s) | A,B |
| 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 all 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. (00:00:04)
[INFO] FoldX: Starting FoldX energy minimization (00:00:05)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:14:34)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/b2e191b8f6ce1c5/tmp/folded.pdb (00:14:34)
[INFO] Main: Simulation completed successfully. (00:20:07)
|
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 |
|---|---|---|---|---|
| 2 | E | A | -3.2977 | |
| 3 | E | A | -3.5799 | |
| 4 | K | A | -2.5094 | |
| 5 | K | A | -2.2314 | |
| 6 | V | A | -0.7862 | |
| 7 | C | A | -0.4364 | |
| 8 | Q | A | -0.4010 | |
| 9 | G | A | 0.0000 | |
| 10 | T | A | -0.3896 | |
| 11 | S | A | -0.7287 | |
| 12 | N | A | -0.9566 | |
| 13 | K | A | -1.5382 | |
| 14 | L | A | 0.0000 | |
| 15 | T | A | 0.0000 | |
| 16 | Q | A | -0.8893 | |
| 17 | L | A | 0.0000 | |
| 18 | G | A | -1.1423 | |
| 19 | T | A | -0.8625 | |
| 20 | F | A | -0.4265 | |
| 21 | E | A | -1.5827 | |
| 22 | D | A | -1.7874 | |
| 23 | H | A | 0.0000 | |
| 24 | F | A | 0.0000 | |
| 25 | L | A | -0.6076 | |
| 26 | S | A | -1.1806 | |
| 27 | L | A | 0.0000 | |
| 28 | Q | A | -1.9132 | |
| 29 | R | A | -2.2628 | |
| 30 | M | A | -1.2349 | |
| 31 | F | A | 0.0000 | |
| 32 | N | A | -2.7430 | |
| 33 | N | A | -2.4644 | |
| 34 | C | A | 0.0000 | |
| 35 | E | A | -1.6393 | |
| 36 | V | A | -0.7512 | |
| 37 | V | A | 0.0000 | |
| 38 | L | A | -0.0602 | |
| 39 | G | A | -0.1775 | |
| 40 | N | A | 0.0000 | |
| 41 | L | A | 0.0000 | |
| 42 | E | A | 0.0000 | |
| 43 | I | A | 0.0000 | |
| 44 | T | A | 0.0000 | |
| 45 | Y | A | 0.0000 | |
| 46 | V | A | 0.0000 | |
| 47 | Q | A | -1.2631 | |
| 48 | R | A | -1.9685 | |
| 49 | N | A | -2.3096 | |
| 50 | Y | A | -1.8914 | |
| 51 | D | A | -2.2310 | |
| 52 | L | A | 0.0000 | |
| 53 | S | A | -1.0070 | |
| 54 | F | A | -1.2292 | |
| 55 | L | A | 0.0000 | |
| 56 | K | A | -1.3312 | |
| 57 | T | A | -1.3803 | |
| 58 | I | A | 0.0000 | |
| 59 | Q | A | -0.9521 | |
| 60 | E | A | -0.3818 | |
| 61 | V | A | 0.0000 | |
| 62 | A | A | -0.3126 | |
| 63 | G | A | 0.0000 | |
| 64 | Y | A | 0.0000 | |
| 65 | V | A | 0.0000 | |
| 66 | L | A | 0.0000 | |
| 67 | I | A | 0.0000 | |
| 68 | A | A | 0.0000 | |
| 69 | L | A | 0.0000 | |
| 70 | N | A | 0.0000 | |
| 71 | T | A | -1.2922 | |
| 72 | V | A | 0.0000 | |
| 73 | E | A | -2.8604 | |
| 74 | R | A | -2.4477 | |
| 75 | I | A | 0.0000 | |
| 76 | P | A | 0.0000 | |
| 77 | L | A | 0.0000 | |
| 78 | E | A | 0.0000 | |
| 79 | N | A | -1.0723 | |
| 80 | L | A | 0.0000 | |
| 81 | Q | A | -0.3983 | |
| 82 | I | A | 0.0000 | |
| 83 | I | A | 0.0000 | |
| 84 | R | A | 0.0000 | |
| 85 | G | A | 0.0000 | |
| 86 | N | A | -0.9870 | |
| 87 | M | A | -0.2527 | |
| 88 | Y | A | -0.3910 | |
| 89 | Y | A | 0.0000 | |
| 90 | E | A | -2.3756 | |
| 91 | N | A | -1.8747 | |
| 92 | S | A | -1.1671 | |
| 93 | Y | A | -0.6585 | |
| 94 | A | A | 0.0000 | |
| 95 | L | A | 0.0000 | |
| 96 | A | A | 0.0000 | |
| 97 | V | A | 0.0000 | |
| 98 | L | A | 0.0000 | |
| 99 | S | A | 0.0000 | |
| 100 | N | A | 0.0000 | |
| 101 | Y | A | 0.0000 | |
| 102 | D | A | -1.4371 | |
| 103 | A | A | -1.3684 | |
| 104 | N | A | -2.1802 | |
| 105 | K | A | -2.4901 | |
| 106 | T | A | -1.8414 | |
| 107 | G | A | 0.0000 | |
| 108 | L | A | 0.0000 | |
| 109 | K | A | -1.7141 | |
| 110 | E | A | -1.6651 | |
| 111 | L | A | 0.0000 | |
| 112 | P | A | 0.0000 | |
| 113 | M | A | 0.0000 | |
| 114 | R | A | -1.0775 | |
| 115 | N | A | -1.0098 | |
| 116 | L | A | 0.0000 | |
| 117 | Q | A | 0.0000 | |
| 118 | E | A | 0.0000 | |
| 119 | I | A | 0.0000 | |
| 120 | L | A | -0.5463 | |
| 121 | H | A | -0.9498 | |
| 122 | G | A | 0.0000 | |
| 123 | A | A | 0.0000 | |
| 124 | V | A | 0.0000 | |
| 125 | R | A | -0.7066 | |
| 126 | F | A | 0.0000 | |
| 127 | S | A | 0.0000 | |
| 128 | N | A | -0.6707 | |
| 129 | N | A | 0.0000 | |
| 130 | P | A | -1.3946 | |
| 131 | A | A | -1.2614 | |
| 132 | L | A | 0.0000 | |
| 133 | C | A | 0.0000 | |
| 134 | N | A | -1.3728 | |
| 135 | V | A | 0.0000 | |
| 136 | E | A | -2.1451 | |
| 137 | S | A | -1.4441 | |
| 138 | I | A | 0.0000 | |
| 139 | Q | A | -1.0706 | |
| 140 | W | A | 0.0000 | |
| 141 | R | A | -1.6951 | |
| 142 | D | A | 0.0000 | |
| 143 | I | A | 0.0000 | |
| 144 | V | A | 0.0000 | |
| 145 | S | A | -1.0258 | |
| 146 | S | A | -1.4808 | |
| 147 | D | A | -1.9854 | |
| 148 | F | A | -1.2229 | |
| 149 | L | A | -0.7780 | |
| 150 | S | A | -0.8556 | |
| 151 | N | A | -1.3072 | |
| 152 | M | A | -0.4140 | |
| 153 | S | A | -0.5038 | |
| 154 | M | A | -0.7526 | |
| 155 | D | A | -1.7748 | |
| 156 | F | A | -1.4150 | |
| 157 | Q | A | -1.8264 | |
| 158 | N | A | -1.2004 | |
| 159 | H | A | -0.7378 | |
| 160 | L | A | 0.5888 | |
| 161 | G | A | -0.4990 | |
| 162 | S | A | -0.3629 | |
| 163 | C | A | -0.7847 | |
| 164 | Q | A | -1.8475 | |
| 165 | K | A | -2.4457 | |
| 166 | C | A | -1.9324 | |
| 167 | D | A | -2.2472 | |
| 168 | P | A | -1.3957 | |
| 169 | S | A | -1.4008 | |
| 170 | C | A | 0.0000 | |
| 171 | P | A | -1.0869 | |
| 172 | N | A | -1.5089 | |
| 173 | G | A | -1.3733 | |
| 174 | S | A | 0.0000 | |
| 175 | C | A | 0.0000 | |
| 176 | W | A | 0.0000 | |
| 177 | G | A | 0.0000 | |
| 178 | A | A | -1.6075 | |
| 179 | G | A | -2.1852 | |
| 180 | E | A | -3.0313 | |
| 181 | E | A | -3.0389 | |
| 182 | N | A | 0.0000 | |
| 183 | C | A | -1.8210 | |
| 184 | Q | A | 0.0000 | |
| 185 | K | A | -1.3679 | |
| 186 | L | A | -0.6582 | |
| 187 | T | A | 0.0000 | |
| 188 | K | A | -0.6369 | |
| 189 | I | A | 0.1435 | |
| 190 | I | A | -0.1214 | |
| 191 | C | A | -0.9195 | |
| 192 | A | A | -1.4876 | |
| 193 | Q | A | -1.8665 | |
| 194 | Q | A | -1.8222 | |
| 195 | C | A | -1.5397 | |
| 196 | S | A | -1.1072 | |
| 197 | G | A | -0.9185 | |
| 198 | R | A | 0.0000 | |
| 199 | C | A | 0.0000 | |
| 200 | R | A | -1.2931 | |
| 201 | G | A | -1.3275 | |
| 202 | K | A | -1.9698 | |
| 203 | S | A | -1.5084 | |
| 204 | P | A | -1.3549 | |
| 205 | S | A | -0.9061 | |
| 206 | D | A | -1.2932 | |
| 207 | C | A | -1.3901 | |
| 208 | C | A | 0.0000 | |
| 209 | H | A | -1.7762 | |
| 210 | N | A | -2.1939 | |
| 211 | Q | A | 0.0000 | |
| 212 | C | A | 0.0000 | |
| 213 | A | A | 0.0000 | |
| 214 | A | A | 0.0000 | |
| 215 | G | A | 0.0000 | |
| 216 | C | A | -0.3592 | |
| 217 | T | A | -0.4299 | |
| 218 | G | A | -1.0397 | |
| 219 | P | A | -1.7863 | |
| 220 | R | A | -2.6877 | |
| 221 | E | A | -2.2036 | |
| 222 | S | A | -1.5592 | |
| 223 | D | A | -1.0594 | |
| 224 | C | A | -0.5134 | |
| 225 | L | A | 0.7135 | |
| 226 | V | A | 0.0000 | |
| 227 | C | A | -0.9822 | |
| 228 | R | A | -1.3783 | |
| 229 | K | A | -1.9799 | |
| 230 | F | A | -1.4728 | |
| 231 | R | A | -2.0218 | |
| 232 | D | A | -1.8977 | |
| 233 | E | A | -2.7405 | |
| 234 | A | A | -1.9039 | |
| 235 | T | A | -1.6032 | |
| 236 | C | A | 0.0000 | |
| 237 | K | A | -2.3815 | |
| 238 | D | A | -2.6637 | |
| 239 | T | A | -1.3999 | |
| 240 | C | A | 0.0000 | |
| 241 | P | A | -1.0565 | |
| 242 | P | A | 0.0615 | |
| 243 | L | A | 0.3776 | |
| 244 | M | A | 0.8256 | |
| 245 | L | A | 0.0000 | |
| 246 | Y | A | 0.0000 | |
| 247 | N | A | -0.7641 | |
| 248 | P | A | -0.5504 | |
| 249 | T | A | -0.3753 | |
| 250 | T | A | -0.5609 | |
| 251 | Y | A | -0.5780 | |
| 252 | Q | A | -0.9502 | |
| 253 | M | A | 0.2274 | |
| 254 | D | A | 0.1958 | |
| 255 | V | A | 1.4413 | |
| 256 | N | A | -0.2082 | |
| 257 | P | A | -1.0955 | |
| 258 | E | A | -2.4964 | |
| 259 | G | A | -1.0744 | |
| 260 | K | A | -1.3599 | |
| 261 | Y | A | -0.7625 | |
| 262 | S | A | -0.4617 | |
| 263 | F | A | -0.3831 | |
| 264 | G | A | -0.2072 | |
| 265 | A | A | -0.5075 | |
| 266 | T | A | -0.9312 | |
| 267 | C | A | 0.0000 | |
| 268 | V | A | -1.4486 | |
| 269 | K | A | -2.7167 | |
| 270 | K | A | -2.5452 | |
| 271 | C | A | -1.7231 | |
| 272 | P | A | -1.9302 | |
| 273 | R | A | -2.8927 | |
| 274 | N | A | -2.5638 | |
| 275 | Y | A | 0.0000 | |
| 276 | V | A | 0.0000 | |
| 277 | V | A | 0.0000 | |
| 278 | T | A | -1.9005 | |
| 279 | D | A | -2.8263 | |
| 280 | H | A | -1.8098 | |
| 281 | G | A | -0.8297 | |
| 282 | S | A | -0.5102 | |
| 283 | C | A | 0.0000 | |
| 284 | V | A | -0.6160 | |
| 285 | R | A | -2.0982 | |
| 286 | A | A | -1.1378 | |
| 287 | C | A | -1.2857 | |
| 288 | G | A | -1.4457 | |
| 289 | A | A | -1.0973 | |
| 290 | D | A | -2.8501 | |
| 291 | S | A | -2.6472 | |
| 292 | Y | A | -1.7939 | |
| 293 | E | A | -2.8352 | |
| 294 | M | A | -2.6624 | |
| 295 | E | A | -3.7356 | |
| 296 | E | A | -3.8989 | |
| 297 | D | A | -3.2253 | |
| 298 | G | A | -2.2369 | |
| 299 | V | A | -1.6538 | |
| 300 | R | A | -2.7853 | |
| 301 | K | A | -2.7005 | |
| 302 | C | A | -2.7680 | |
| 303 | K | A | -3.0233 | |
| 304 | K | A | -3.5305 | |
| 305 | C | A | 0.0000 | |
| 306 | E | A | -2.9573 | |
| 307 | G | A | -2.1408 | |
| 308 | P | A | -2.1712 | |
| 309 | C | A | -2.3250 | |
| 310 | R | A | -2.7511 | |
| 311 | K | A | -1.9994 | |
| 312 | V | A | -0.0615 | |
| 313 | C | A | -0.5819 | |
| 314 | N | A | -0.4990 | |
| 315 | G | A | 0.0000 | |
| 316 | I | A | 0.0000 | |
| 317 | G | A | -0.8790 | |
| 318 | I | A | -0.0592 | |
| 319 | G | A | -1.2250 | |
| 320 | E | A | -2.5751 | |
| 321 | F | A | 0.0000 | |
| 322 | K | A | -2.4136 | |
| 323 | D | A | -2.2864 | |
| 324 | S | A | -0.8679 | |
| 325 | L | A | 0.8710 | |
| 326 | S | A | 0.0000 | |
| 327 | I | A | 0.0000 | |
| 328 | N | A | -0.5432 | |
| 329 | A | A | 0.0000 | |
| 330 | T | A | -0.8277 | |
| 331 | N | A | -1.2694 | |
| 332 | I | A | 0.0000 | |
| 333 | K | A | -2.5436 | |
| 334 | H | A | -2.6414 | |
| 335 | F | A | 0.0000 | |
| 336 | K | A | -3.2199 | |
| 337 | N | A | -2.6955 | |
| 338 | C | A | 0.0000 | |
| 339 | T | A | 0.0000 | |
| 340 | S | A | 0.0000 | |
| 341 | I | A | 0.0000 | |
| 342 | S | A | -0.0516 | |
| 343 | G | A | -0.4743 | |
| 344 | D | A | -0.5812 | |
| 345 | L | A | 0.0000 | |
| 346 | H | A | -0.0106 | |
| 347 | I | A | 0.0000 | |
| 348 | L | A | 0.2047 | |
| 349 | P | A | -0.2908 | |
| 350 | V | A | 0.0538 | |
| 351 | A | A | 0.0000 | |
| 352 | F | A | -0.8968 | |
| 353 | R | A | -1.9227 | |
| 354 | G | A | -1.2050 | |
| 355 | D | A | -0.7128 | |
| 356 | S | A | -0.1642 | |
| 357 | F | A | 1.3478 | |
| 358 | T | A | 0.1150 | |
| 359 | H | A | -0.7843 | |
| 360 | T | A | 0.0000 | |
| 361 | P | A | -1.1925 | |
| 362 | P | A | -1.3612 | |
| 363 | L | A | 0.0000 | |
| 364 | D | A | -1.7535 | |
| 365 | P | A | -1.8498 | |
| 366 | Q | A | -1.9848 | |
| 367 | E | A | -1.8012 | |
| 368 | L | A | 0.0000 | |
| 369 | D | A | -2.1527 | |
| 370 | I | A | -1.9507 | |
| 371 | L | A | 0.0000 | |
| 372 | K | A | -2.6162 | |
| 373 | T | A | -2.2332 | |
| 374 | V | A | 0.0000 | |
| 375 | K | A | -1.8037 | |
| 376 | E | A | 0.0000 | |
| 377 | I | A | 0.0000 | |
| 378 | T | A | -0.7370 | |
| 379 | G | A | 0.0000 | |
| 380 | F | A | 0.0000 | |
| 381 | L | A | 0.0000 | |
| 382 | L | A | 0.0000 | |
| 383 | I | A | 0.0000 | |
| 384 | Q | A | -0.3962 | |
| 385 | A | A | 0.0000 | |
| 386 | W | A | 0.0000 | |
| 387 | P | A | 0.0000 | |
| 388 | E | A | -2.9143 | |
| 389 | N | A | -2.6939 | |
| 390 | R | A | -2.2514 | |
| 391 | T | A | -1.4729 | |
| 392 | D | A | -1.1390 | |
| 393 | L | A | 0.0000 | |
| 394 | H | A | -1.2050 | |
| 395 | A | A | 0.0000 | |
| 396 | F | A | 0.0000 | |
| 397 | E | A | -1.7096 | |
| 398 | N | A | -1.7557 | |
| 399 | L | A | 0.0000 | |
| 400 | E | A | -2.2975 | |
| 401 | I | A | -1.4610 | |
| 402 | I | A | 0.0000 | |
| 403 | R | A | -1.5853 | |
| 404 | G | A | 0.0000 | |
| 405 | R | A | -2.4180 | |
| 406 | T | A | -1.7797 | |
| 407 | K | A | -1.9266 | |
| 408 | Q | A | -1.3253 | |
| 409 | H | A | -1.6529 | |
| 410 | G | A | -1.7692 | |
| 411 | Q | A | -1.7331 | |
| 412 | F | A | -1.4466 | |
| 413 | S | A | 0.0000 | |
| 414 | L | A | 0.0000 | |
| 415 | A | A | 0.0000 | |
| 416 | V | A | 0.0000 | |
| 417 | V | A | -0.2813 | |
| 418 | S | A | -0.8619 | |
| 419 | L | A | 0.0000 | |
| 420 | N | A | -2.1335 | |
| 421 | I | A | 0.0000 | |
| 422 | T | A | -0.8696 | |
| 423 | S | A | 0.0000 | |
| 424 | L | A | 0.0000 | |
| 425 | G | A | 0.0000 | |
| 426 | L | A | 0.0000 | |
| 427 | R | A | -1.4130 | |
| 428 | S | A | -1.8342 | |
| 429 | L | A | 0.0000 | |
| 430 | K | A | -2.6846 | |
| 431 | E | A | -2.5884 | |
| 432 | I | A | 0.0000 | |
| 433 | S | A | -1.5274 | |
| 434 | D | A | -2.1251 | |
| 435 | G | A | 0.0000 | |
| 436 | D | A | -1.5576 | |
| 437 | V | A | 0.0000 | |
| 438 | I | A | -0.2113 | |
| 439 | I | A | 0.0000 | |
| 440 | S | A | 0.0412 | |
| 441 | G | A | -0.6966 | |
| 442 | N | A | 0.0000 | |
| 443 | K | A | -2.2072 | |
| 444 | N | A | -1.6438 | |
| 445 | L | A | 0.0000 | |
| 446 | C | A | 0.0000 | |
| 447 | Y | A | 0.0000 | |
| 448 | A | A | 0.0000 | |
| 449 | N | A | -1.4738 | |
| 450 | T | A | -0.9768 | |
| 451 | I | A | 0.0000 | |
| 452 | N | A | -2.4035 | |
| 453 | W | A | 0.0000 | |
| 454 | K | A | -3.3535 | |
| 455 | K | A | -3.3367 | |
| 456 | L | A | 0.0000 | |
| 457 | F | A | 0.0000 | |
| 458 | G | A | -1.6671 | |
| 459 | T | A | -1.3504 | |
| 460 | S | A | -1.2687 | |
| 461 | G | A | -1.4293 | |
| 462 | Q | A | 0.0000 | |
| 463 | K | A | -2.5793 | |
| 464 | T | A | -1.5333 | |
| 465 | K | A | -1.0335 | |
| 466 | I | A | 0.1798 | |
| 467 | I | A | 1.0832 | |
| 468 | S | A | -0.1180 | |
| 469 | N | A | -1.1698 | |
| 470 | R | A | -1.8208 | |
| 471 | G | A | -2.1048 | |
| 472 | E | A | -3.2116 | |
| 473 | N | A | -2.9490 | |
| 474 | S | A | -2.0653 | |
| 475 | C | A | 0.0000 | |
| 476 | K | A | -2.5539 | |
| 477 | A | A | -1.5223 | |
| 478 | T | A | -0.9231 | |
| 479 | G | A | -1.0708 | |
| 480 | Q | A | -0.9427 | |
| 481 | V | A | -0.1056 | |
| 482 | C | A | -0.0898 | |
| 483 | H | A | -0.4621 | |
| 484 | A | A | -0.4206 | |
| 485 | L | A | -1.1836 | |
| 486 | C | A | 0.0000 | |
| 487 | S | A | -1.0841 | |
| 488 | P | A | -0.7886 | |
| 489 | E | A | -1.1914 | |
| 490 | G | A | 0.0000 | |
| 491 | C | A | 0.0000 | |
| 492 | W | A | 0.0000 | |
| 493 | G | A | 0.0000 | |
| 494 | P | A | -0.7704 | |
| 495 | E | A | -1.6059 | |
| 496 | P | A | -1.4752 | |
| 497 | R | A | -2.3822 | |
| 498 | D | A | 0.0000 | |
| 499 | C | A | 0.0000 | |
| 500 | V | A | -0.8756 | |
| 501 | S | A | -0.9213 | |
| 502 | C | A | -1.7198 | |
| 503 | R | A | -2.5586 | |
| 504 | N | A | -2.6740 | |
| 505 | V | A | -2.0705 | |
| 506 | S | A | -2.0703 | |
| 507 | R | A | -1.8302 | |
| 508 | G | A | -1.8857 | |
| 509 | R | A | -2.8141 | |
| 510 | E | A | -2.2404 | |
| 511 | C | A | 0.0000 | |
| 512 | V | A | -2.2032 | |
| 513 | D | A | -2.9199 | |
| 514 | K | A | -2.7511 | |
| 515 | C | A | -1.1521 | |
| 516 | N | A | -1.1490 | |
| 517 | L | A | -0.1772 | |
| 518 | L | A | -0.3698 | |
| 519 | E | A | -2.0787 | |
| 520 | G | A | -1.9883 | |
| 521 | E | A | -2.3392 | |
| 522 | P | A | -1.6669 | |
| 523 | R | A | -1.1956 | |
| 524 | E | A | 0.0000 | |
| 525 | F | A | 0.0000 | |
| 526 | V | A | -0.1127 | |
| 527 | E | A | -1.5998 | |
| 528 | N | A | -1.8537 | |
| 529 | S | A | -1.7020 | |
| 530 | E | A | -1.7742 | |
| 531 | C | A | 0.0000 | |
| 532 | I | A | -0.8871 | |
| 533 | Q | A | -1.1248 | |
| 534 | C | A | -1.0746 | |
| 535 | H | A | -1.3328 | |
| 536 | P | A | -0.8546 | |
| 537 | E | A | 0.0000 | |
| 538 | C | A | 0.0000 | |
| 539 | L | A | 0.3244 | |
| 540 | P | A | -0.3189 | |
| 541 | Q | A | -0.1541 | |
| 542 | A | A | 0.0219 | |
| 543 | M | A | 0.4646 | |
| 544 | N | A | -0.3722 | |
| 545 | I | A | 0.2054 | |
| 546 | T | A | 0.0000 | |
| 547 | C | A | 0.0000 | |
| 548 | T | A | -0.5382 | |
| 549 | G | A | -1.5638 | |
| 550 | R | A | -2.5644 | |
| 551 | G | A | -1.9905 | |
| 552 | P | A | -1.5591 | |
| 553 | D | A | -2.5395 | |
| 554 | N | A | -1.8627 | |
| 555 | C | A | -0.6923 | |
| 556 | I | A | 0.3742 | |
| 557 | Q | A | -0.4031 | |
| 558 | C | A | -0.3821 | |
| 559 | A | A | -0.1582 | |
| 560 | H | A | -0.6415 | |
| 561 | Y | A | -0.2900 | |
| 562 | I | A | 0.0974 | |
| 563 | D | A | 0.0000 | |
| 564 | G | A | -0.5154 | |
| 565 | P | A | -1.0307 | |
| 566 | H | A | -1.1934 | |
| 567 | C | A | 0.0000 | |
| 568 | V | A | -0.6642 | |
| 569 | K | A | -1.5506 | |
| 570 | T | A | -0.6975 | |
| 571 | C | A | -0.0015 | |
| 572 | P | A | 0.2042 | |
| 573 | A | A | 0.6140 | |
| 574 | G | A | 0.5827 | |
| 575 | V | A | 0.7654 | |
| 576 | M | A | -0.0930 | |
| 577 | G | A | 0.0000 | |
| 578 | E | A | -2.9651 | |
| 579 | N | A | -2.8857 | |
| 580 | N | A | -2.4760 | |
| 581 | T | A | -1.1039 | |
| 582 | L | A | 0.3085 | |
| 583 | V | A | 0.0000 | |
| 584 | W | A | 0.8123 | |
| 585 | K | A | 0.0000 | |
| 586 | Y | A | 0.0238 | |
| 587 | A | A | -0.2403 | |
| 588 | D | A | -0.8701 | |
| 589 | A | A | -0.6108 | |
| 590 | G | A | -0.6895 | |
| 591 | H | A | -0.6544 | |
| 592 | V | A | 0.0432 | |
| 593 | C | A | 0.0000 | |
| 594 | H | A | -0.0188 | |
| 595 | L | A | 0.6331 | |
| 596 | C | A | 0.1759 | |
| 597 | H | A | -0.8020 | |
| 598 | P | A | -0.7177 | |
| 599 | N | A | -1.2081 | |
| 600 | C | A | 0.0000 | |
| 601 | T | A | 0.2147 | |
| 602 | Y | A | 1.1706 | |
| 603 | G | A | 0.5207 | |
| 604 | C | A | 0.0185 | |
| 605 | T | A | -0.3708 | |
| 606 | G | A | -0.5988 | |
| 607 | P | A | -0.6753 | |
| 608 | G | A | -0.7498 | |
| 609 | L | A | -0.6950 | |
| 610 | E | A | -1.7136 | |
| 611 | G | A | -0.9629 | |
| 612 | C | A | 0.0000 | |
| 613 | P | A | -0.4010 | |
| 614 | T | A | -0.3859 | |
| 3 | D | B | -1.9028 | |
| 4 | V | B | -0.1417 | |
| 5 | P | B | 0.0000 | |
| 6 | R | B | -3.1363 | |
| 7 | D | B | -3.4626 | |
| 8 | L | B | 0.0000 | |
| 9 | E | B | -2.0484 | |
| 10 | V | B | 0.0975 | |
| 11 | V | B | 1.3742 | |
| 12 | A | B | 0.8276 | |
| 13 | A | B | 0.2161 | |
| 14 | T | B | -0.4670 | |
| 15 | P | B | -1.4552 | |
| 16 | T | B | -1.1448 | |
| 17 | S | B | -0.6110 | |
| 18 | L | B | 0.0000 | |
| 19 | L | B | 0.7182 | |
| 20 | I | B | 0.0000 | |
| 21 | S | B | -0.9790 | |
| 22 | W | B | 0.0000 | |
| 23 | D | B | -2.6229 | |
| 24 | S | B | -1.8831 | |
| 25 | G | B | -2.1648 | |
| 26 | R | B | -2.3729 | |
| 27 | G | B | -1.6339 | |
| 28 | S | B | -0.9146 | |
| 29 | Y | B | 0.0000 | |
| 30 | Q | B | -0.3285 | |
| 31 | Y | B | 0.0000 | |
| 32 | Y | B | 0.0000 | |
| 33 | R | B | -0.6653 | |
| 34 | I | B | 0.0000 | |
| 35 | T | B | 0.0000 | |
| 36 | Y | B | -0.2746 | |
| 37 | G | B | -0.9208 | |
| 38 | E | B | -2.2340 | |
| 39 | T | B | -1.6125 | |
| 40 | G | B | -1.6023 | |
| 41 | G | B | -1.5447 | |
| 42 | N | B | -1.6027 | |
| 43 | S | B | -0.9712 | |
| 44 | P | B | -0.4107 | |
| 45 | V | B | 0.4220 | |
| 46 | Q | B | -0.9670 | |
| 47 | E | B | -1.2384 | |
| 48 | F | B | -0.6934 | |
| 49 | T | B | -0.3197 | |
| 50 | V | B | 0.0000 | |
| 51 | P | B | 0.0000 | |
| 52 | G | B | 0.0000 | |
| 53 | P | B | -0.4571 | |
| 54 | V | B | 0.0000 | |
| 55 | H | B | -0.6738 | |
| 56 | T | B | -0.2586 | |
| 57 | A | B | 0.0000 | |
| 58 | T | B | 0.0017 | |
| 59 | I | B | 0.0000 | |
| 60 | S | B | -0.6286 | |
| 61 | G | B | -0.9996 | |
| 62 | L | B | 0.0000 | |
| 63 | K | B | -2.5376 | |
| 64 | P | B | -1.8522 | |
| 65 | G | B | -1.5176 | |
| 66 | V | B | -1.9301 | |
| 67 | D | B | -3.4322 | |
| 68 | Y | B | 0.0000 | |
| 69 | T | B | -1.0624 | |
| 70 | I | B | 0.0000 | |
| 71 | T | B | -0.0957 | |
| 72 | V | B | 0.0000 | |
| 73 | Y | B | -0.1434 | |
| 74 | A | B | 0.0000 | |
| 75 | V | B | 0.0000 | |
| 76 | T | B | -0.7988 | |
| 77 | D | B | 0.0000 | |
| 78 | H | B | -1.0571 | |
| 79 | K | B | -1.5728 | |
| 79A | P | B | -1.6527 | |
| 79B | H | B | -2.2341 | |
| 79C | A | B | -1.7114 | |
| 79D | D | B | -2.3731 | |
| 79E | G | B | -1.8439 | |
| 80 | P | B | -1.3439 | |
| 81 | H | B | -1.5190 | |
| 82 | T | B | -0.6231 | |
| 83 | Y | B | -0.2928 | |
| 84 | H | B | -1.2981 | |
| 85 | E | B | -1.0865 | |
| 86 | S | B | -0.6275 | |
| 87 | P | B | -0.2384 | |
| 88 | I | B | -0.4527 | |
| 89 | S | B | -0.8230 | |
| 90 | I | B | -0.7092 | |
| 91 | N | B | -1.9912 | |
| 92 | Y | B | -1.9699 | |
| 93 | R | B | -3.1477 | |
| 94 | T | B | 0.0000 | |
| 95 | E | B | -2.1463 | |
| 96 | I | B | -0.2100 | |
| 97 | D | B | -1.5491 |
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 | -0.719 | 2.8833 | View | CSV | PDB |
| 4.5 | -0.7834 | 2.8528 | View | CSV | PDB |
| 5.0 | -0.8621 | 2.8275 | View | CSV | PDB |
| 5.5 | -0.9401 | 2.8193 | View | CSV | PDB |
| 6.0 | -1.0011 | 2.8395 | View | CSV | PDB |
| 6.5 | -1.033 | 2.8791 | View | CSV | PDB |
| 7.0 | -1.036 | 2.907 | View | CSV | PDB |
| 7.5 | -1.0206 | 2.9071 | View | CSV | PDB |
| 8.0 | -0.9953 | 2.8894 | View | CSV | PDB |
| 8.5 | -0.9623 | 2.8696 | View | CSV | PDB |
| 9.0 | -0.9209 | 2.8567 | 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