| Chain sequence(s) |
A: MDLSVENGGLAPGFRFHPTDEELVVYYLKRKIRRKKLRVEAIGETDVYKFDPEELPEKALYKTRDRQWFFFSLRDRKHGSRSSRATERGYWKATGKDRVIHCDSRPVGEKKTLVFHRGRAPNGERTNWVMHEYTLHKEELKRCGGEDVKDAYVLYKIYKKSGSGPKNGEQYGAPFIEEEWAEDDDDDVDEPANQLVVSASVDNSLWGKGLNQSELDDNDIEELMSQVRDQSGPTLQQNGVSGLNSHVDTYNLENLEEDMYLEINDLMEPEPEPTSVEVMENNWNEDGSGLLNDDDFVGADSYFLDLGVTNPQLDFVSGDLKNGFAQSLQVNTSLMTYQANNNQFQQQSGKNQASNWPLRNSYTRQINNGSSWVQELNNDGLTVTRFGEAPGTGDSSEFLNPVPSGISTTNEDDPSKDESSKFASSVWTFLESIPAKPAYASENPFVKLNLVRMSTSGGRFRFTSKSTGNNVVVMDSDSAVKRNKSGGNNDKKKKKNKGFFCLSIIGALCALFWVIIGTMGGSGRPLLW
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] (00:00:00)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:00)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with A chain(s) selected (00:00:00)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:00)
[INFO] PDB-Info: The input structure is partially or entirely disordered. Average score is
recommended for pH analysis. (00:00:02)
[INFO] FoldX: Starting FoldX energy minimization (00:00:02)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:06:12)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/9e79e0777a32d9d/tmp/folded.pdb (00:06:12)
[INFO] Main: Simulation completed successfully. (00:08:23)
|
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 | M | A | 0.0021 | |
| 2 | D | A | -1.0400 | |
| 3 | L | A | -0.9474 | |
| 4 | S | A | -0.7982 | |
| 5 | V | A | 0.1185 | |
| 6 | E | A | -1.3616 | |
| 7 | N | A | -1.1870 | |
| 8 | G | A | -0.9675 | |
| 9 | G | A | -0.4456 | |
| 10 | L | A | 0.3925 | |
| 11 | A | A | 0.5629 | |
| 12 | P | A | 0.2300 | |
| 13 | G | A | 0.6055 | |
| 14 | F | A | 1.2808 | |
| 15 | R | A | -0.4233 | |
| 16 | F | A | -0.1665 | |
| 17 | H | A | -1.0538 | |
| 18 | P | A | -1.1914 | |
| 19 | T | A | -1.1935 | |
| 20 | D | A | -1.4978 | |
| 21 | E | A | -1.8540 | |
| 22 | E | A | -1.8326 | |
| 23 | L | A | 0.0000 | |
| 24 | V | A | 0.0000 | |
| 25 | V | A | -0.5638 | |
| 26 | Y | A | -0.6416 | |
| 27 | Y | A | 0.0000 | |
| 28 | L | A | 0.0000 | |
| 29 | K | A | -1.3418 | |
| 30 | R | A | -2.6035 | |
| 31 | K | A | -2.4997 | |
| 32 | I | A | 0.0000 | |
| 33 | R | A | -3.2717 | |
| 34 | R | A | -3.8096 | |
| 35 | K | A | -4.1902 | |
| 36 | K | A | -3.6559 | |
| 37 | L | A | -2.3260 | |
| 38 | R | A | -1.9832 | |
| 39 | V | A | -0.4399 | |
| 40 | E | A | -1.4018 | |
| 41 | A | A | 0.0000 | |
| 42 | I | A | 0.0000 | |
| 43 | G | A | -1.2598 | |
| 44 | E | A | -2.1586 | |
| 45 | T | A | -1.9991 | |
| 46 | D | A | -2.6730 | |
| 47 | V | A | 0.0000 | |
| 48 | Y | A | -1.3966 | |
| 49 | K | A | -2.4611 | |
| 50 | F | A | -2.0732 | |
| 51 | D | A | 0.0000 | |
| 52 | P | A | 0.0000 | |
| 53 | E | A | -2.5336 | |
| 54 | E | A | -2.6185 | |
| 55 | L | A | 0.0000 | |
| 56 | P | A | -2.4746 | |
| 57 | E | A | -3.0678 | |
| 58 | K | A | -2.6793 | |
| 59 | A | A | 0.0000 | |
| 60 | L | A | -1.2172 | |
| 61 | Y | A | -1.4872 | |
| 62 | K | A | -2.3034 | |
| 63 | T | A | -2.0186 | |
| 64 | R | A | -2.3872 | |
| 65 | D | A | 0.0000 | |
| 66 | R | A | -1.9664 | |
| 67 | Q | A | 0.0000 | |
| 68 | W | A | 0.0000 | |
| 69 | F | A | 0.0000 | |
| 70 | F | A | 0.0000 | |
| 71 | F | A | 0.0000 | |
| 72 | S | A | 0.0000 | |
| 73 | L | A | -1.4176 | |
| 74 | R | A | -2.8869 | |
| 75 | D | A | -3.6182 | |
| 76 | R | A | -4.1286 | |
| 77 | K | A | -3.8173 | |
| 78 | H | A | -3.5596 | |
| 79 | G | A | -2.6118 | |
| 80 | S | A | -2.0895 | |
| 81 | R | A | -2.7527 | |
| 82 | S | A | -2.4485 | |
| 83 | S | A | -1.2850 | |
| 84 | R | A | -1.2105 | |
| 85 | A | A | -1.7074 | |
| 86 | T | A | -2.3166 | |
| 87 | E | A | -3.3732 | |
| 88 | R | A | -3.6354 | |
| 89 | G | A | 0.0000 | |
| 90 | Y | A | -2.2337 | |
| 91 | W | A | 0.0000 | |
| 92 | K | A | -1.8488 | |
| 93 | A | A | -1.3283 | |
| 94 | T | A | -1.2212 | |
| 95 | G | A | -1.8374 | |
| 96 | K | A | -2.9119 | |
| 97 | D | A | -3.0960 | |
| 98 | R | A | -3.0173 | |
| 99 | V | A | -1.4696 | |
| 100 | I | A | 0.0000 | |
| 101 | H | A | -1.7938 | |
| 102 | C | A | -1.7798 | |
| 103 | D | A | -2.2964 | |
| 104 | S | A | -1.7144 | |
| 105 | R | A | -2.0152 | |
| 106 | P | A | -1.6529 | |
| 107 | V | A | 0.0000 | |
| 108 | G | A | 0.0000 | |
| 109 | E | A | -2.1000 | |
| 110 | K | A | -2.0081 | |
| 111 | K | A | -1.8887 | |
| 112 | T | A | -1.3991 | |
| 113 | L | A | 0.0000 | |
| 114 | V | A | 0.0000 | |
| 115 | F | A | 0.0000 | |
| 116 | H | A | -3.4647 | |
| 117 | R | A | -4.3301 | |
| 118 | G | A | -3.8499 | |
| 119 | R | A | -3.5872 | |
| 120 | A | A | -2.1983 | |
| 121 | P | A | -1.7917 | |
| 122 | N | A | -2.8769 | |
| 123 | G | A | -3.7923 | |
| 124 | E | A | -3.8892 | |
| 125 | R | A | -3.3832 | |
| 126 | T | A | -2.0733 | |
| 127 | N | A | -1.2517 | |
| 128 | W | A | 0.0000 | |
| 129 | V | A | 0.0000 | |
| 130 | M | A | 0.0000 | |
| 131 | H | A | -0.4994 | |
| 132 | E | A | 0.0000 | |
| 133 | Y | A | 0.0000 | |
| 134 | T | A | -0.7449 | |
| 135 | L | A | 0.0000 | |
| 136 | H | A | -1.8286 | |
| 137 | K | A | -3.0776 | |
| 138 | E | A | -3.5451 | |
| 139 | E | A | 0.0000 | |
| 140 | L | A | -2.9153 | |
| 141 | K | A | -4.0060 | |
| 142 | R | A | -3.4562 | |
| 143 | C | A | -2.5521 | |
| 144 | G | A | -2.4863 | |
| 145 | G | A | -3.3802 | |
| 146 | E | A | -4.0155 | |
| 147 | D | A | -3.7009 | |
| 148 | V | A | 0.0000 | |
| 149 | K | A | -3.6776 | |
| 150 | D | A | -2.9053 | |
| 151 | A | A | 0.0000 | |
| 152 | Y | A | -1.0907 | |
| 153 | V | A | 0.0000 | |
| 154 | L | A | 0.0000 | |
| 155 | Y | A | 0.0000 | |
| 156 | K | A | -0.2719 | |
| 157 | I | A | 0.0000 | |
| 158 | Y | A | -0.9190 | |
| 159 | K | A | -1.4424 | |
| 160 | K | A | -1.5172 | |
| 161 | S | A | -1.1943 | |
| 162 | G | A | -0.9904 | |
| 163 | S | A | -1.1217 | |
| 164 | G | A | -1.2192 | |
| 165 | P | A | -1.6025 | |
| 166 | K | A | -2.7018 | |
| 167 | N | A | -2.5117 | |
| 168 | G | A | -1.8973 | |
| 169 | E | A | -1.9189 | |
| 170 | Q | A | -1.9393 | |
| 171 | Y | A | -1.4587 | |
| 172 | G | A | -1.2269 | |
| 173 | A | A | -0.8504 | |
| 174 | P | A | 0.1266 | |
| 175 | F | A | 0.8739 | |
| 176 | I | A | -0.5038 | |
| 177 | E | A | -2.3772 | |
| 178 | E | A | -3.3840 | |
| 179 | E | A | -3.0406 | |
| 180 | W | A | -1.8500 | |
| 181 | A | A | -2.8444 | |
| 182 | E | A | -3.8348 | |
| 183 | D | A | -4.6597 | |
| 184 | D | A | -4.8412 | |
| 185 | D | A | -4.6544 | |
| 186 | D | A | -4.0116 | |
| 187 | D | A | -3.3753 | |
| 188 | V | A | -1.4284 | |
| 189 | D | A | -2.6806 | |
| 190 | E | A | -2.6611 | |
| 191 | P | A | -1.8866 | |
| 192 | A | A | -1.5818 | |
| 193 | N | A | -1.5294 | |
| 194 | Q | A | -0.4188 | |
| 195 | L | A | 1.9062 | |
| 196 | V | A | 2.8863 | |
| 197 | V | A | 2.8057 | |
| 198 | S | A | 1.4184 | |
| 199 | A | A | 0.8229 | |
| 200 | S | A | 0.0186 | |
| 201 | V | A | 0.4590 | |
| 202 | D | A | -1.4357 | |
| 203 | N | A | -1.2004 | |
| 204 | S | A | -0.4234 | |
| 205 | L | A | 0.9134 | |
| 206 | W | A | 0.8019 | |
| 207 | G | A | -0.4678 | |
| 208 | K | A | -1.2722 | |
| 209 | G | A | -0.9115 | |
| 210 | L | A | -0.3092 | |
| 211 | N | A | -1.7133 | |
| 212 | Q | A | -1.7756 | |
| 213 | S | A | -1.6366 | |
| 214 | E | A | -2.1678 | |
| 215 | L | A | -1.2923 | |
| 216 | D | A | -3.3413 | |
| 217 | D | A | -3.8613 | |
| 218 | N | A | -3.7000 | |
| 219 | D | A | -3.1455 | |
| 220 | I | A | -1.5249 | |
| 221 | E | A | -3.2263 | |
| 222 | E | A | -2.6705 | |
| 223 | L | A | -0.2084 | |
| 224 | M | A | -0.6953 | |
| 225 | S | A | -1.6294 | |
| 226 | Q | A | -1.8996 | |
| 227 | V | A | -0.4711 | |
| 228 | R | A | -2.4309 | |
| 229 | D | A | -3.2199 | |
| 230 | Q | A | -2.6478 | |
| 231 | S | A | -1.6737 | |
| 232 | G | A | -1.0551 | |
| 233 | P | A | -0.3340 | |
| 234 | T | A | 0.0151 | |
| 235 | L | A | 0.5777 | |
| 236 | Q | A | -1.3251 | |
| 237 | Q | A | -2.2037 | |
| 238 | N | A | -1.9952 | |
| 239 | G | A | -0.5595 | |
| 240 | V | A | 1.0853 | |
| 241 | S | A | 0.4888 | |
| 242 | G | A | 0.3058 | |
| 243 | L | A | 0.6041 | |
| 244 | N | A | -0.7733 | |
| 245 | S | A | -0.6329 | |
| 246 | H | A | -0.8994 | |
| 247 | V | A | 0.3024 | |
| 248 | D | A | -0.9612 | |
| 249 | T | A | -0.0419 | |
| 250 | Y | A | 0.5796 | |
| 251 | N | A | -0.7107 | |
| 252 | L | A | 0.2759 | |
| 253 | E | A | -1.7525 | |
| 254 | N | A | -2.2695 | |
| 255 | L | A | -0.8012 | |
| 256 | E | A | -2.7500 | |
| 257 | E | A | -2.8840 | |
| 258 | D | A | -1.9498 | |
| 259 | M | A | 0.4162 | |
| 260 | Y | A | 1.4857 | |
| 261 | L | A | 1.4532 | |
| 262 | E | A | -0.4288 | |
| 263 | I | A | 1.1557 | |
| 264 | N | A | -0.9805 | |
| 265 | D | A | -1.2870 | |
| 266 | L | A | 0.7692 | |
| 267 | M | A | 0.1045 | |
| 268 | E | A | -1.9956 | |
| 269 | P | A | -1.8323 | |
| 270 | E | A | -2.8263 | |
| 271 | P | A | -2.3144 | |
| 272 | E | A | -2.5263 | |
| 273 | P | A | -1.2808 | |
| 274 | T | A | -0.3395 | |
| 275 | S | A | 0.1339 | |
| 276 | V | A | 1.1000 | |
| 277 | E | A | 0.0830 | |
| 278 | V | A | 1.3188 | |
| 279 | M | A | 0.4245 | |
| 280 | E | A | -1.7730 | |
| 281 | N | A | -2.4562 | |
| 282 | N | A | -2.0923 | |
| 283 | W | A | -0.8075 | |
| 284 | N | A | -2.4057 | |
| 285 | E | A | -3.3065 | |
| 286 | D | A | -3.2700 | |
| 287 | G | A | -1.9336 | |
| 288 | S | A | -0.5302 | |
| 289 | G | A | 0.1498 | |
| 290 | L | A | 1.5559 | |
| 291 | L | A | 0.9215 | |
| 292 | N | A | -1.8070 | |
| 293 | D | A | -2.9955 | |
| 294 | D | A | -3.0657 | |
| 295 | D | A | -1.9673 | |
| 296 | F | A | 1.1242 | |
| 297 | V | A | 1.5110 | |
| 298 | G | A | 0.1176 | |
| 299 | A | A | -0.1762 | |
| 300 | D | A | -0.7950 | |
| 301 | S | A | 0.5798 | |
| 302 | Y | A | 1.8267 | |
| 303 | F | A | 2.6494 | |
| 304 | L | A | 1.9180 | |
| 305 | D | A | 0.4866 | |
| 306 | L | A | 1.4518 | |
| 307 | G | A | 0.8115 | |
| 308 | V | A | 1.3854 | |
| 309 | T | A | 0.1448 | |
| 310 | N | A | -1.3467 | |
| 311 | P | A | -1.1473 | |
| 312 | Q | A | -1.0601 | |
| 313 | L | A | 0.4969 | |
| 314 | D | A | 0.0211 | |
| 315 | F | A | 2.0852 | |
| 316 | V | A | 2.0950 | |
| 317 | S | A | 0.5604 | |
| 318 | G | A | -0.4548 | |
| 319 | D | A | -1.6947 | |
| 320 | L | A | -0.5572 | |
| 321 | K | A | -2.0834 | |
| 322 | N | A | -1.6156 | |
| 323 | G | A | -0.4580 | |
| 324 | F | A | 1.2211 | |
| 325 | A | A | 0.2689 | |
| 326 | Q | A | -0.5531 | |
| 327 | S | A | -0.1071 | |
| 328 | L | A | 0.9441 | |
| 329 | Q | A | 0.0615 | |
| 330 | V | A | 0.9116 | |
| 331 | N | A | -0.4440 | |
| 332 | T | A | 0.0592 | |
| 333 | S | A | 0.6000 | |
| 334 | L | A | 1.9588 | |
| 335 | M | A | 1.9316 | |
| 336 | T | A | 1.1954 | |
| 337 | Y | A | 1.0416 | |
| 338 | Q | A | -0.8802 | |
| 339 | A | A | -1.2316 | |
| 340 | N | A | -2.4851 | |
| 341 | N | A | -2.7571 | |
| 342 | N | A | -2.4784 | |
| 343 | Q | A | -1.7669 | |
| 344 | F | A | -0.0750 | |
| 345 | Q | A | -1.5660 | |
| 346 | Q | A | -2.2065 | |
| 347 | Q | A | -2.0781 | |
| 348 | S | A | -1.9455 | |
| 349 | G | A | -2.1881 | |
| 350 | K | A | -2.8858 | |
| 351 | N | A | -2.8389 | |
| 352 | Q | A | -2.4680 | |
| 353 | A | A | -1.3325 | |
| 354 | S | A | -1.0029 | |
| 355 | N | A | -0.8258 | |
| 356 | W | A | 0.5851 | |
| 357 | P | A | 0.0580 | |
| 358 | L | A | 0.3588 | |
| 359 | R | A | -1.5531 | |
| 360 | N | A | -1.5977 | |
| 361 | S | A | -0.7985 | |
| 362 | Y | A | 0.0438 | |
| 363 | T | A | -0.6345 | |
| 364 | R | A | -1.8168 | |
| 365 | Q | A | -1.4643 | |
| 366 | I | A | 0.0749 | |
| 367 | N | A | -1.5753 | |
| 368 | N | A | -1.8528 | |
| 369 | G | A | -1.5678 | |
| 370 | S | A | -0.6991 | |
| 371 | S | A | 0.4896 | |
| 372 | W | A | 1.6264 | |
| 373 | V | A | 1.2830 | |
| 374 | Q | A | -0.5744 | |
| 375 | E | A | -1.6444 | |
| 376 | L | A | -0.7968 | |
| 377 | N | A | -2.0088 | |
| 378 | N | A | -2.6841 | |
| 379 | D | A | -2.4408 | |
| 380 | G | A | -0.8778 | |
| 381 | L | A | 1.2742 | |
| 382 | T | A | 1.4984 | |
| 383 | V | A | 1.6605 | |
| 384 | T | A | 0.2415 | |
| 385 | R | A | -0.7764 | |
| 386 | F | A | 0.2926 | |
| 387 | G | A | -0.7504 | |
| 388 | E | A | -1.8531 | |
| 389 | A | A | -1.2655 | |
| 390 | P | A | -0.8448 | |
| 391 | G | A | -0.7034 | |
| 392 | T | A | -0.9763 | |
| 393 | G | A | -1.5787 | |
| 394 | D | A | -2.1970 | |
| 395 | S | A | -1.6608 | |
| 396 | S | A | -1.1685 | |
| 397 | E | A | -0.6074 | |
| 398 | F | A | 1.4284 | |
| 399 | L | A | 1.5741 | |
| 400 | N | A | 0.1454 | |
| 401 | P | A | 0.4976 | |
| 402 | V | A | 1.3376 | |
| 403 | P | A | 0.4176 | |
| 404 | S | A | 0.2569 | |
| 405 | G | A | 0.4478 | |
| 406 | I | A | 1.5699 | |
| 407 | S | A | 0.5834 | |
| 408 | T | A | -0.0567 | |
| 409 | T | A | -1.1603 | |
| 410 | N | A | -2.6863 | |
| 411 | E | A | -3.7309 | |
| 412 | D | A | -3.8413 | |
| 413 | D | A | -3.1753 | |
| 414 | P | A | -2.1386 | |
| 415 | S | A | -2.2187 | |
| 416 | K | A | -3.2430 | |
| 417 | D | A | -3.9619 | |
| 418 | E | A | -3.3997 | |
| 419 | S | A | -1.9860 | |
| 420 | S | A | -1.7502 | |
| 421 | K | A | -1.7095 | |
| 422 | F | A | 0.8987 | |
| 423 | A | A | 0.4902 | |
| 424 | S | A | 0.6158 | |
| 425 | S | A | 1.3532 | |
| 426 | V | A | 2.0868 | |
| 427 | W | A | 2.2235 | |
| 428 | T | A | 1.4809 | |
| 429 | F | A | 2.7937 | |
| 430 | L | A | 2.3394 | |
| 431 | E | A | 0.1695 | |
| 432 | S | A | 0.9191 | |
| 433 | I | A | 1.3370 | |
| 434 | P | A | -0.2104 | |
| 435 | A | A | -0.6461 | |
| 436 | K | A | -1.4617 | |
| 437 | P | A | -0.6738 | |
| 438 | A | A | 0.1106 | |
| 439 | Y | A | 0.7313 | |
| 440 | A | A | -0.0391 | |
| 441 | S | A | -1.0800 | |
| 442 | E | A | -2.1851 | |
| 443 | N | A | -1.4748 | |
| 444 | P | A | -0.2171 | |
| 445 | F | A | 1.6880 | |
| 446 | V | A | 1.8409 | |
| 447 | K | A | 0.1033 | |
| 448 | L | A | 1.0349 | |
| 449 | N | A | 0.3514 | |
| 450 | L | A | 1.7459 | |
| 451 | V | A | 1.6800 | |
| 452 | R | A | -0.2628 | |
| 453 | M | A | 0.5512 | |
| 454 | S | A | -0.2019 | |
| 455 | T | A | -0.2946 | |
| 456 | S | A | -0.7420 | |
| 457 | G | A | -1.2852 | |
| 458 | G | A | -1.1905 | |
| 459 | R | A | -1.5416 | |
| 460 | F | A | 0.3306 | |
| 461 | R | A | -0.3835 | |
| 462 | F | A | 1.1601 | |
| 463 | T | A | -0.1384 | |
| 464 | S | A | -0.8553 | |
| 465 | K | A | -1.7927 | |
| 466 | S | A | -1.3789 | |
| 467 | T | A | -1.0882 | |
| 468 | G | A | -1.6708 | |
| 469 | N | A | -1.7522 | |
| 470 | N | A | -0.7167 | |
| 471 | V | A | 2.1109 | |
| 472 | V | A | 3.4157 | |
| 473 | V | A | 3.2089 | |
| 474 | M | A | 1.3746 | |
| 475 | D | A | -1.4183 | |
| 476 | S | A | -1.7443 | |
| 477 | D | A | -2.3726 | |
| 478 | S | A | -0.7678 | |
| 479 | A | A | 0.0463 | |
| 480 | V | A | 0.5529 | |
| 481 | K | A | -2.0255 | |
| 482 | R | A | -3.3363 | |
| 483 | N | A | -3.5308 | |
| 484 | K | A | -2.9350 | |
| 485 | S | A | -1.6462 | |
| 486 | G | A | -1.5712 | |
| 487 | G | A | -1.8589 | |
| 488 | N | A | -2.8323 | |
| 489 | N | A | -3.5614 | |
| 490 | D | A | -4.2421 | |
| 491 | K | A | -4.4744 | |
| 492 | K | A | -4.6508 | |
| 493 | K | A | -4.5696 | |
| 494 | K | A | -4.5746 | |
| 495 | K | A | -4.3309 | |
| 496 | N | A | -3.4069 | |
| 497 | K | A | -2.4437 | |
| 498 | G | A | 0.1757 | |
| 499 | F | A | 2.7861 | |
| 500 | F | A | 3.6204 | |
| 501 | C | A | 3.1512 | |
| 502 | L | A | 3.7796 | |
| 503 | S | A | 2.8467 | |
| 504 | I | A | 3.7563 | |
| 505 | I | A | 3.9170 | |
| 506 | G | A | 2.0699 | |
| 507 | A | A | 2.3079 | |
| 508 | L | A | 3.4621 | |
| 509 | C | A | 3.1588 | |
| 510 | A | A | 2.8639 | |
| 511 | L | A | 4.1500 | |
| 512 | F | A | 4.5272 | |
| 513 | W | A | 4.4217 | |
| 514 | V | A | 4.5119 | |
| 515 | I | A | 4.1564 | |
| 516 | I | A | 3.9122 | |
| 517 | G | A | 2.1701 | |
| 518 | T | A | 1.6964 | |
| 519 | M | A | 1.7620 | |
| 520 | G | A | 0.1265 | |
| 521 | G | A | -0.7084 | |
| 522 | S | A | -1.1490 | |
| 523 | G | A | -1.5611 | |
| 524 | R | A | -1.7321 | |
| 525 | P | A | 0.0290 | |
| 526 | L | A | 1.9177 | |
| 527 | L | A | 2.6048 | |
| 528 | W | A | 2.2809 |
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 partially or entirely disordered. Average score is recommended for pH analysis.
pH |
Average A4D Score |
Max A4D Score |
|||
| 4.0 | -0.2306 | 8.5611 | View | CSV | PDB |
| 4.5 | -0.3449 | 8.5611 | View | CSV | PDB |
| 5.0 | -0.4894 | 8.5611 | View | CSV | PDB |
| 5.5 | -0.639 | 8.5611 | View | CSV | PDB |
| 6.0 | -0.7685 | 8.5611 | View | CSV | PDB |
| 6.5 | -0.86 | 8.5611 | View | CSV | PDB |
| 7.0 | -0.9115 | 8.5611 | View | CSV | PDB |
| 7.5 | -0.9349 | 8.5611 | View | CSV | PDB |
| 8.0 | -0.9422 | 8.5611 | View | CSV | PDB |
| 8.5 | -0.937 | 8.5611 | View | CSV | PDB |
| 9.0 | -0.9164 | 8.5611 | 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