| Chain sequence(s) |
A: MGSSHHHHHHGSSKIEEGKLVIWINGDKGYNGLAEVGKKFEKDTGIKVTVEHPDKLEEKFPQVAATGDGPDIIFWAHDRFGGYAQSGLLAEITPAAAFQDKLYPFTWDAVRYNGKLIAYPIAVEALSLIYNKDLLPNPPKTWEEIPALDKELKAKGKSALMFNLQEPYFTWPLIAADGGYAFKYAAGKYDIKDVGVDNAGAKAGLTFLVDLIKNKHMNADTDYSIAEAAFNKGETAMTINGPWAWSNIDTSAVNYGVTVLPTFKGQPSKPFVGVLSAGINAASPNKELAKEFLENYLLTDEGLEAVNKDKPLGAVALKSYEEELAKDPRIAATMENAQKGEIMPNIPQMSAFWYAVRTAVINAASGRQTVDAALAAAQTNAGDVLVVLVAAGELEEALALVEAAAEAGVEEVVVEAAEVEALEALAAAGVEAVELAAGEAEELAALLEAAAALGAEEVVVAAGELEVLELALELGAVALVVAAGEVEEALALVAALEELGAEEVVVAVEEAEALEALLAAGAEAVLVAAGEAEEALALVALAEAGGAEEVVVEVEELELLEALAAA
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. (00:00:05)
[INFO] FoldX: Starting FoldX energy minimization (00:00:05)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:14:17)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/5514e9140650cc0/tmp/folded.pdb (00:14:17)
[INFO] Main: Simulation completed successfully. (00:23:46)
|
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 | 0.7134 | |
| 2 | G | A | -0.1486 | |
| 3 | S | A | -0.9122 | |
| 4 | S | A | -1.7623 | |
| 5 | H | A | -2.5651 | |
| 6 | H | A | -3.3407 | |
| 7 | H | A | -3.5429 | |
| 8 | H | A | -3.4465 | |
| 9 | H | A | -3.3437 | |
| 10 | H | A | -2.7993 | |
| 11 | G | A | -2.4261 | |
| 12 | S | A | -1.6958 | |
| 13 | S | A | -1.8806 | |
| 14 | K | A | -2.6575 | |
| 15 | I | A | 0.0000 | |
| 16 | E | A | -3.2681 | |
| 17 | E | A | -3.2620 | |
| 18 | G | A | -2.1144 | |
| 19 | K | A | -2.0680 | |
| 20 | L | A | 0.0000 | |
| 21 | V | A | -0.4430 | |
| 22 | I | A | 0.0000 | |
| 23 | W | A | 0.0000 | |
| 24 | I | A | 0.0000 | |
| 25 | N | A | -1.4281 | |
| 26 | G | A | -1.5229 | |
| 27 | D | A | -0.6859 | |
| 28 | K | A | 0.0000 | |
| 29 | G | A | 0.0000 | |
| 30 | Y | A | -0.9071 | |
| 31 | N | A | -1.6006 | |
| 32 | G | A | 0.0000 | |
| 33 | L | A | 0.0000 | |
| 34 | A | A | -1.5412 | |
| 35 | E | A | -2.4108 | |
| 36 | V | A | 0.0000 | |
| 37 | G | A | 0.0000 | |
| 38 | K | A | -3.9348 | |
| 39 | K | A | -3.6653 | |
| 40 | F | A | 0.0000 | |
| 41 | E | A | -3.9169 | |
| 42 | K | A | -4.0982 | |
| 43 | D | A | -3.5124 | |
| 44 | T | A | -2.2846 | |
| 45 | G | A | -2.3782 | |
| 46 | I | A | -2.1813 | |
| 47 | K | A | -2.4020 | |
| 48 | V | A | 0.0000 | |
| 49 | T | A | -0.6333 | |
| 50 | V | A | -0.5221 | |
| 51 | E | A | -1.4364 | |
| 52 | H | A | -1.8949 | |
| 53 | P | A | -2.1824 | |
| 54 | D | A | -3.4074 | |
| 55 | K | A | -3.6434 | |
| 56 | L | A | 0.0000 | |
| 57 | E | A | -2.4636 | |
| 58 | E | A | -3.4611 | |
| 59 | K | A | -2.9919 | |
| 60 | F | A | 0.0000 | |
| 61 | P | A | -1.5568 | |
| 62 | Q | A | -1.8510 | |
| 63 | V | A | -1.1548 | |
| 64 | A | A | 0.0000 | |
| 65 | A | A | -0.5975 | |
| 66 | T | A | -0.6387 | |
| 67 | G | A | -0.7303 | |
| 68 | D | A | 0.0000 | |
| 69 | G | A | -0.8598 | |
| 70 | P | A | 0.0000 | |
| 71 | D | A | 0.0000 | |
| 72 | I | A | 0.0000 | |
| 73 | I | A | 0.0000 | |
| 74 | F | A | 0.0000 | |
| 75 | W | A | -0.0025 | |
| 76 | A | A | -0.0580 | |
| 77 | H | A | 0.0000 | |
| 78 | D | A | 0.0000 | |
| 79 | R | A | -0.5821 | |
| 80 | F | A | 0.0000 | |
| 81 | G | A | 0.0000 | |
| 82 | G | A | -0.6923 | |
| 83 | Y | A | 0.0000 | |
| 84 | A | A | -1.4599 | |
| 85 | Q | A | -1.5712 | |
| 86 | S | A | -1.4628 | |
| 87 | G | A | -1.3117 | |
| 88 | L | A | 0.0000 | |
| 89 | L | A | 0.0000 | |
| 90 | A | A | -1.0410 | |
| 91 | E | A | -2.3339 | |
| 92 | I | A | 0.0000 | |
| 93 | T | A | -0.7662 | |
| 94 | P | A | 0.0000 | |
| 95 | A | A | -0.1968 | |
| 96 | A | A | -0.5855 | |
| 97 | A | A | -0.7384 | |
| 98 | F | A | -0.9810 | |
| 99 | Q | A | -1.5107 | |
| 100 | D | A | -2.4869 | |
| 101 | K | A | -2.2089 | |
| 102 | L | A | 0.0000 | |
| 103 | Y | A | -0.4600 | |
| 104 | P | A | -0.4625 | |
| 105 | F | A | 0.5072 | |
| 106 | T | A | 0.0000 | |
| 107 | W | A | 0.0000 | |
| 108 | D | A | -2.0793 | |
| 109 | A | A | 0.0000 | |
| 110 | V | A | 0.0000 | |
| 111 | R | A | -3.1332 | |
| 112 | Y | A | -2.4233 | |
| 113 | N | A | -2.3604 | |
| 114 | G | A | -2.3853 | |
| 115 | K | A | -3.1725 | |
| 116 | L | A | -2.2965 | |
| 117 | I | A | 0.0000 | |
| 118 | A | A | 0.0000 | |
| 119 | Y | A | 0.0000 | |
| 120 | P | A | 0.0000 | |
| 121 | I | A | 0.0000 | |
| 122 | A | A | 0.0000 | |
| 123 | V | A | 0.0000 | |
| 124 | E | A | 0.0000 | |
| 125 | A | A | 0.0000 | |
| 126 | L | A | 0.0000 | |
| 127 | S | A | 0.0000 | |
| 128 | L | A | 0.0000 | |
| 129 | I | A | 0.0000 | |
| 130 | Y | A | -0.6099 | |
| 131 | N | A | 0.0000 | |
| 132 | K | A | -2.6344 | |
| 133 | D | A | -2.6461 | |
| 134 | L | A | -1.4360 | |
| 135 | L | A | 0.0000 | |
| 136 | P | A | -1.8168 | |
| 137 | N | A | -1.9714 | |
| 138 | P | A | -1.2444 | |
| 139 | P | A | -1.6293 | |
| 140 | K | A | -2.3156 | |
| 141 | T | A | -2.2856 | |
| 142 | W | A | 0.0000 | |
| 143 | E | A | -2.9465 | |
| 144 | E | A | -2.3495 | |
| 145 | I | A | 0.0000 | |
| 146 | P | A | -1.8955 | |
| 147 | A | A | -1.6274 | |
| 148 | L | A | -1.6372 | |
| 149 | D | A | 0.0000 | |
| 150 | K | A | -3.4069 | |
| 151 | E | A | -3.3996 | |
| 152 | L | A | 0.0000 | |
| 153 | K | A | -3.3735 | |
| 154 | A | A | -2.5713 | |
| 155 | K | A | -3.0627 | |
| 156 | G | A | -2.6665 | |
| 157 | K | A | -2.6992 | |
| 158 | S | A | -2.0653 | |
| 159 | A | A | 0.0000 | |
| 160 | L | A | 0.0000 | |
| 161 | M | A | -0.1318 | |
| 162 | F | A | 0.0000 | |
| 163 | N | A | 0.0000 | |
| 164 | L | A | 0.0000 | |
| 165 | Q | A | -0.9568 | |
| 166 | E | A | -0.4760 | |
| 167 | P | A | 0.0000 | |
| 168 | Y | A | -0.1122 | |
| 169 | F | A | 0.0000 | |
| 170 | T | A | 0.0000 | |
| 171 | W | A | 0.0000 | |
| 172 | P | A | 0.0000 | |
| 173 | L | A | 0.0000 | |
| 174 | I | A | 0.0000 | |
| 175 | A | A | 0.0000 | |
| 176 | A | A | 0.0000 | |
| 177 | D | A | -1.2967 | |
| 178 | G | A | -0.6716 | |
| 179 | G | A | 0.0000 | |
| 180 | Y | A | -0.1688 | |
| 181 | A | A | 0.0000 | |
| 182 | F | A | 0.0000 | |
| 183 | K | A | -0.8563 | |
| 184 | Y | A | 0.0550 | |
| 185 | A | A | -0.3250 | |
| 186 | A | A | -0.4952 | |
| 187 | G | A | -1.0292 | |
| 188 | K | A | -1.7207 | |
| 189 | Y | A | -0.9008 | |
| 190 | D | A | -1.6434 | |
| 191 | I | A | -1.1524 | |
| 192 | K | A | -1.9423 | |
| 193 | D | A | -1.0531 | |
| 194 | V | A | 0.0000 | |
| 195 | G | A | 0.0000 | |
| 196 | V | A | 0.0000 | |
| 197 | D | A | -1.1921 | |
| 198 | N | A | -1.0061 | |
| 199 | A | A | -0.7568 | |
| 200 | G | A | 0.0000 | |
| 201 | A | A | 0.0000 | |
| 202 | K | A | -1.2319 | |
| 203 | A | A | -0.8332 | |
| 204 | G | A | 0.0000 | |
| 205 | L | A | 0.0000 | |
| 206 | T | A | -0.6188 | |
| 207 | F | A | -0.6892 | |
| 208 | L | A | 0.0000 | |
| 209 | V | A | 0.0000 | |
| 210 | D | A | -2.3172 | |
| 211 | L | A | 0.0000 | |
| 212 | I | A | 0.0000 | |
| 213 | K | A | -3.5767 | |
| 214 | N | A | -3.4468 | |
| 215 | K | A | -3.5674 | |
| 216 | H | A | 0.0000 | |
| 217 | M | A | 0.0000 | |
| 218 | N | A | -2.7157 | |
| 219 | A | A | -2.0893 | |
| 220 | D | A | -2.1342 | |
| 221 | T | A | 0.0000 | |
| 222 | D | A | -0.7938 | |
| 223 | Y | A | 0.0169 | |
| 224 | S | A | 0.3892 | |
| 225 | I | A | 0.9458 | |
| 226 | A | A | 0.0000 | |
| 227 | E | A | -0.2890 | |
| 228 | A | A | -0.5510 | |
| 229 | A | A | 0.0000 | |
| 230 | F | A | 0.0000 | |
| 231 | N | A | -1.8958 | |
| 232 | K | A | -2.3918 | |
| 233 | G | A | -2.1757 | |
| 234 | E | A | -2.6809 | |
| 235 | T | A | 0.0000 | |
| 236 | A | A | 0.0000 | |
| 237 | M | A | 0.0000 | |
| 238 | T | A | 0.0000 | |
| 239 | I | A | 0.0000 | |
| 240 | N | A | 0.0000 | |
| 241 | G | A | 0.0000 | |
| 242 | P | A | 0.0000 | |
| 243 | W | A | 0.0000 | |
| 244 | A | A | 0.0000 | |
| 245 | W | A | 0.0000 | |
| 246 | S | A | -1.3851 | |
| 247 | N | A | -1.2908 | |
| 248 | I | A | 0.0000 | |
| 249 | D | A | -2.1585 | |
| 250 | T | A | -1.1352 | |
| 251 | S | A | -1.2656 | |
| 252 | A | A | -0.9413 | |
| 253 | V | A | -1.6337 | |
| 254 | N | A | -2.1441 | |
| 255 | Y | A | -1.2585 | |
| 256 | G | A | -0.6890 | |
| 257 | V | A | 0.2071 | |
| 258 | T | A | -0.0165 | |
| 259 | V | A | 0.1538 | |
| 260 | L | A | 0.0000 | |
| 261 | P | A | 0.0000 | |
| 262 | T | A | -1.7247 | |
| 263 | F | A | 0.0000 | |
| 264 | K | A | -2.5732 | |
| 265 | G | A | -2.1171 | |
| 266 | Q | A | -1.7273 | |
| 267 | P | A | -1.1897 | |
| 268 | S | A | 0.0000 | |
| 269 | K | A | -1.3220 | |
| 270 | P | A | 0.0000 | |
| 271 | F | A | 0.0000 | |
| 272 | V | A | 0.0000 | |
| 273 | G | A | 0.0000 | |
| 274 | V | A | 0.0000 | |
| 275 | L | A | 0.0000 | |
| 276 | S | A | 0.0000 | |
| 277 | A | A | 0.0000 | |
| 278 | G | A | 0.0000 | |
| 279 | I | A | 0.0000 | |
| 280 | N | A | 0.0000 | |
| 281 | A | A | -0.5041 | |
| 282 | A | A | -0.3995 | |
| 283 | S | A | 0.0000 | |
| 284 | P | A | -1.4839 | |
| 285 | N | A | 0.0000 | |
| 286 | K | A | -1.9998 | |
| 287 | E | A | -2.4820 | |
| 288 | L | A | -1.4801 | |
| 289 | A | A | 0.0000 | |
| 290 | K | A | -2.0536 | |
| 291 | E | A | -2.1284 | |
| 292 | F | A | 0.0000 | |
| 293 | L | A | 0.0000 | |
| 294 | E | A | -1.2411 | |
| 295 | N | A | -1.6847 | |
| 296 | Y | A | -1.3621 | |
| 297 | L | A | 0.0000 | |
| 298 | L | A | 0.0000 | |
| 299 | T | A | -1.7315 | |
| 300 | D | A | -2.4051 | |
| 301 | E | A | -2.5519 | |
| 302 | G | A | 0.0000 | |
| 303 | L | A | 0.0000 | |
| 304 | E | A | -2.3100 | |
| 305 | A | A | -2.0692 | |
| 306 | V | A | 0.0000 | |
| 307 | N | A | -1.6839 | |
| 308 | K | A | -2.4161 | |
| 309 | D | A | -1.9451 | |
| 310 | K | A | -1.3860 | |
| 311 | P | A | -0.8454 | |
| 312 | L | A | 0.0000 | |
| 313 | G | A | 0.0000 | |
| 314 | A | A | 0.0000 | |
| 315 | V | A | 0.0000 | |
| 316 | A | A | 0.0000 | |
| 317 | L | A | 0.0000 | |
| 318 | K | A | -2.2243 | |
| 319 | S | A | -1.9538 | |
| 320 | Y | A | 0.0000 | |
| 321 | E | A | 0.0000 | |
| 322 | E | A | -3.2945 | |
| 323 | E | A | -3.4314 | |
| 324 | L | A | -2.2462 | |
| 325 | A | A | -2.0732 | |
| 326 | K | A | -2.7857 | |
| 327 | D | A | -1.6942 | |
| 328 | P | A | -0.9683 | |
| 329 | R | A | -0.7920 | |
| 330 | I | A | 0.0000 | |
| 331 | A | A | -0.7057 | |
| 332 | A | A | 0.0000 | |
| 333 | T | A | 0.0000 | |
| 334 | M | A | -0.6267 | |
| 335 | E | A | -1.4689 | |
| 336 | N | A | 0.0000 | |
| 337 | A | A | -1.2920 | |
| 338 | Q | A | -2.0586 | |
| 339 | K | A | -1.6864 | |
| 340 | G | A | -1.7552 | |
| 341 | E | A | -1.8521 | |
| 342 | I | A | -0.4364 | |
| 343 | M | A | 0.0000 | |
| 344 | P | A | 0.0000 | |
| 345 | N | A | -0.2754 | |
| 346 | I | A | -0.0274 | |
| 347 | P | A | -0.5780 | |
| 348 | Q | A | -0.5741 | |
| 349 | M | A | 0.0000 | |
| 350 | S | A | -0.0923 | |
| 351 | A | A | -0.3191 | |
| 352 | F | A | 0.0000 | |
| 353 | W | A | 0.0000 | |
| 354 | Y | A | 0.8536 | |
| 355 | A | A | 0.0000 | |
| 356 | V | A | 0.0000 | |
| 357 | R | A | -0.3303 | |
| 358 | T | A | -0.0669 | |
| 359 | A | A | 0.0000 | |
| 360 | V | A | 0.0000 | |
| 361 | I | A | -0.5870 | |
| 362 | N | A | -1.1235 | |
| 363 | A | A | 0.0000 | |
| 364 | A | A | -1.4535 | |
| 365 | S | A | -1.7395 | |
| 366 | G | A | -1.9730 | |
| 367 | R | A | -2.5751 | |
| 368 | Q | A | -2.3198 | |
| 369 | T | A | -1.5885 | |
| 370 | V | A | -1.4138 | |
| 371 | D | A | -2.1109 | |
| 372 | A | A | -1.3351 | |
| 373 | A | A | 0.0000 | |
| 374 | L | A | 0.0000 | |
| 375 | A | A | -0.8878 | |
| 376 | A | A | -0.5571 | |
| 377 | A | A | 0.0000 | |
| 378 | Q | A | -0.9307 | |
| 379 | T | A | -0.8504 | |
| 380 | N | A | -0.8854 | |
| 381 | A | A | 0.0000 | |
| 382 | G | A | -1.1920 | |
| 383 | D | A | -1.6484 | |
| 384 | V | A | -1.2652 | |
| 385 | L | A | -0.8031 | |
| 386 | V | A | 0.0000 | |
| 387 | V | A | 0.0000 | |
| 388 | L | A | 0.0000 | |
| 389 | V | A | 0.0000 | |
| 390 | A | A | -1.4766 | |
| 391 | A | A | -1.6708 | |
| 392 | G | A | -2.2949 | |
| 393 | E | A | -3.0056 | |
| 394 | L | A | -2.3437 | |
| 395 | E | A | -3.1294 | |
| 396 | E | A | -3.5262 | |
| 397 | A | A | 0.0000 | |
| 398 | L | A | -1.4002 | |
| 399 | A | A | -1.3806 | |
| 400 | L | A | 0.0000 | |
| 401 | V | A | -1.3428 | |
| 402 | E | A | -2.2273 | |
| 403 | A | A | -1.4052 | |
| 404 | A | A | 0.0000 | |
| 405 | A | A | -2.1523 | |
| 406 | E | A | -2.5299 | |
| 407 | A | A | -1.9479 | |
| 408 | G | A | -1.7335 | |
| 409 | V | A | -1.5982 | |
| 410 | E | A | -2.4838 | |
| 411 | E | A | -1.8321 | |
| 412 | V | A | 0.0000 | |
| 413 | V | A | 0.0000 | |
| 414 | V | A | 0.0000 | |
| 415 | E | A | -0.8606 | |
| 416 | A | A | 0.0000 | |
| 417 | A | A | -1.2118 | |
| 418 | E | A | -2.4981 | |
| 419 | V | A | -2.0079 | |
| 420 | E | A | -2.6394 | |
| 421 | A | A | -2.2061 | |
| 422 | L | A | 0.0000 | |
| 423 | E | A | -2.4052 | |
| 424 | A | A | -1.2738 | |
| 425 | L | A | 0.0000 | |
| 426 | A | A | -1.1998 | |
| 427 | A | A | -0.6918 | |
| 428 | A | A | -0.5003 | |
| 429 | G | A | -0.9154 | |
| 430 | V | A | -1.2051 | |
| 431 | E | A | -2.7067 | |
| 432 | A | A | 0.0000 | |
| 433 | V | A | 0.0000 | |
| 434 | E | A | -0.5942 | |
| 435 | L | A | 0.0000 | |
| 436 | A | A | -0.6744 | |
| 437 | A | A | -1.5541 | |
| 438 | G | A | -2.2377 | |
| 439 | E | A | -3.4520 | |
| 440 | A | A | -2.8441 | |
| 441 | E | A | -3.4332 | |
| 442 | E | A | -3.4619 | |
| 443 | L | A | 0.0000 | |
| 444 | A | A | -1.5316 | |
| 445 | A | A | -1.4712 | |
| 446 | L | A | 0.0000 | |
| 447 | L | A | -0.7510 | |
| 448 | E | A | -1.4300 | |
| 449 | A | A | -1.1668 | |
| 450 | A | A | 0.0000 | |
| 451 | A | A | -0.9136 | |
| 452 | A | A | -0.6335 | |
| 453 | L | A | -0.5641 | |
| 454 | G | A | -1.3074 | |
| 455 | A | A | -1.8755 | |
| 456 | E | A | -2.8914 | |
| 457 | E | A | -2.1523 | |
| 458 | V | A | 0.0000 | |
| 459 | V | A | -0.3919 | |
| 460 | V | A | 0.0000 | |
| 461 | A | A | -0.2065 | |
| 462 | A | A | -1.0888 | |
| 463 | G | A | -1.5926 | |
| 464 | E | A | -2.7200 | |
| 465 | L | A | -1.7192 | |
| 466 | E | A | -2.5417 | |
| 467 | V | A | -2.2465 | |
| 468 | L | A | 0.0000 | |
| 469 | E | A | -1.5722 | |
| 470 | L | A | -0.8060 | |
| 471 | A | A | 0.0000 | |
| 472 | L | A | -0.8194 | |
| 473 | E | A | -1.1356 | |
| 474 | L | A | -0.2510 | |
| 475 | G | A | -0.5020 | |
| 476 | A | A | -0.4648 | |
| 477 | V | A | -0.6619 | |
| 478 | A | A | 0.0000 | |
| 479 | L | A | 0.0000 | |
| 480 | V | A | 0.0000 | |
| 481 | V | A | 0.0000 | |
| 482 | A | A | -0.9924 | |
| 483 | A | A | -1.8373 | |
| 484 | G | A | -2.5450 | |
| 485 | E | A | -3.6351 | |
| 486 | V | A | -3.1223 | |
| 487 | E | A | -3.2338 | |
| 488 | E | A | -3.2410 | |
| 489 | A | A | 0.0000 | |
| 490 | L | A | -0.9619 | |
| 491 | A | A | -1.0304 | |
| 492 | L | A | 0.0000 | |
| 493 | V | A | 0.0000 | |
| 494 | A | A | -1.0172 | |
| 495 | A | A | -1.0544 | |
| 496 | L | A | 0.0000 | |
| 497 | E | A | -3.1689 | |
| 498 | E | A | -2.6904 | |
| 499 | L | A | -1.4028 | |
| 500 | G | A | -1.9156 | |
| 501 | A | A | -2.3684 | |
| 502 | E | A | -2.8934 | |
| 503 | E | A | -2.7159 | |
| 504 | V | A | -1.3342 | |
| 505 | V | A | -0.9199 | |
| 506 | V | A | 0.0000 | |
| 507 | A | A | -0.5973 | |
| 508 | V | A | 0.0000 | |
| 509 | E | A | -3.6295 | |
| 510 | E | A | -4.1857 | |
| 511 | A | A | -3.2659 | |
| 512 | E | A | -3.4918 | |
| 513 | A | A | 0.0000 | |
| 514 | L | A | 0.0000 | |
| 515 | E | A | -2.5919 | |
| 516 | A | A | -1.7831 | |
| 517 | L | A | 0.0000 | |
| 518 | L | A | -1.3295 | |
| 519 | A | A | -0.7831 | |
| 520 | A | A | -0.5061 | |
| 521 | G | A | -0.8586 | |
| 522 | A | A | 0.0000 | |
| 523 | E | A | -2.9844 | |
| 524 | A | A | 0.0000 | |
| 525 | V | A | 0.0000 | |
| 526 | L | A | 0.0000 | |
| 527 | V | A | 0.0000 | |
| 528 | A | A | -1.5857 | |
| 529 | A | A | -2.6067 | |
| 530 | G | A | -3.1549 | |
| 531 | E | A | -3.6255 | |
| 532 | A | A | -2.9895 | |
| 533 | E | A | -3.3028 | |
| 534 | E | A | -3.8099 | |
| 535 | A | A | 0.0000 | |
| 536 | L | A | -0.8553 | |
| 537 | A | A | -1.2612 | |
| 538 | L | A | 0.0000 | |
| 539 | V | A | -0.1020 | |
| 540 | A | A | 0.0321 | |
| 541 | L | A | -0.3514 | |
| 542 | A | A | 0.0000 | |
| 543 | E | A | -1.8236 | |
| 544 | A | A | -1.1068 | |
| 545 | G | A | -1.4148 | |
| 546 | G | A | -2.0035 | |
| 547 | A | A | 0.0000 | |
| 548 | E | A | -3.3000 | |
| 549 | E | A | -2.4160 | |
| 550 | V | A | -1.0557 | |
| 551 | V | A | -0.2221 | |
| 552 | V | A | 0.0000 | |
| 553 | E | A | -1.5170 | |
| 554 | V | A | 0.0000 | |
| 555 | E | A | -3.5414 | |
| 556 | E | A | -3.3903 | |
| 557 | L | A | -2.2784 | |
| 558 | E | A | -3.1920 | |
| 559 | L | A | -2.9921 | |
| 560 | L | A | 0.0000 | |
| 561 | E | A | -2.4554 | |
| 562 | A | A | -1.6498 | |
| 563 | L | A | 0.0000 | |
| 564 | A | A | -0.9529 | |
| 565 | A | A | -0.6167 | |
| 566 | A | A | -0.3086 |
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 | -0.6223 | 3.4448 | View | CSV | PDB |
| 4.5 | -0.7336 | 3.3066 | View | CSV | PDB |
| 5.0 | -0.8829 | 3.1542 | View | CSV | PDB |
| 5.5 | -1.0433 | 2.9967 | View | CSV | PDB |
| 6.0 | -1.1846 | 2.8376 | View | CSV | PDB |
| 6.5 | -1.2818 | 2.6783 | View | CSV | PDB |
| 7.0 | -1.3246 | 2.5199 | View | CSV | PDB |
| 7.5 | -1.3245 | 2.3646 | View | CSV | PDB |
| 8.0 | -1.3007 | 2.2184 | View | CSV | PDB |
| 8.5 | -1.2642 | 2.0949 | View | CSV | PDB |
| 9.0 | -1.2187 | 2.011 | 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