| Chain sequence(s) |
A: IAKNDFSDIELAAIPFNTLADHYGERLAREQLALEHESYEMGEARFRKMFPLITTLLPKMIARINDWFEEVKAKRGKRPTAFQFLQEIKPEAVAYITIKTTLACLTSADNTTVQAVASAIGRAIEDEARFGRIRDLEAKHFKKNVEEQLNKRVGHVYKKAFMQVVEADMLSKGLLGGEAWSSWHKEDSIHVGVRCIEMLIESTGMVSLHRQNAGVVGQDSETIELAPEYAEAIATRAGALAGISPMFQPCVVPPKPWTGITGGGYWANGRRPLALVRTHSKKALMRYEDVYMPEVYKAINIAQNTAWKINKKVLAVANVITKWKHCPVEDIPAIEREELPMKPEDIDMNPEALTAWKRAAAAVYRKDKARKSRRISLEFMLEQANKFANHKAIWFPYNMDWRGRVYAVSMFNPQGNDMTKGLLTLAKGKPIGKEGYYWLKIHGANCAGVDKVPFPERIKFIEENHENIMACAKSPLENTWWAEQDSPFCFLAFCFEYAGVQHHGLSYNCSLPLAFDGSCSGIQHFSAMLRDEVGGRAVNLLPSETVQDIYGIVAKKVNEILQADAINGTDNEVVTVTDENTGEISEKVKLGTKALAGQWLAYGVTRSVTKRSVMTLAYGSKEFGFRQQVLEDTIQPAIDSGKGLMFTQPNQAAGYMAKLIWESVSVTVVAAVEAMNWLKSAAKLLAAEVKDKKTGEILRKRCAVHWVTPDGFPVWQEYKKPIQTRLNLMFLGQFRLQPTINTNKDSEIDAHKQESGIAPNFVHSQDGSHLRKTVVWAHEKYGIESFALIHDSFGTIPADAANLFKAVRETMVDTYESCDVLADFYDQFADQLHESQLDKMPALPAKGNLNLRDILESDFAFA
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 |
| Mutated residues | CS723A |
| Energy difference between WT (input) and mutated protein (by FoldX) | -0.481276 kcal/mol |
| 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 A 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 (00:00:04)
[INFO] FoldX: Building mutant model (00:07:32)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:07:42)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/ef62acd7dfe35d6/tmp/folded.pdb (00:07:42)
[INFO] Main: Simulation completed successfully. (00:11:59)
|
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 |
|---|---|---|---|---|
| 6 | I | A | 0.4239 | |
| 7 | A | A | -1.0489 | |
| 8 | K | A | -2.2863 | |
| 9 | N | A | -2.4125 | |
| 10 | D | A | -2.3437 | |
| 11 | F | A | -1.2818 | |
| 12 | S | A | -1.0225 | |
| 13 | D | A | -1.1285 | |
| 14 | I | A | 0.7059 | |
| 15 | E | A | -0.6610 | |
| 16 | L | A | -0.5537 | |
| 17 | A | A | 0.0000 | |
| 18 | A | A | -0.3979 | |
| 19 | I | A | -0.4045 | |
| 20 | P | A | 0.0000 | |
| 21 | F | A | 0.0000 | |
| 22 | N | A | -1.7437 | |
| 23 | T | A | -1.0906 | |
| 24 | L | A | 0.0000 | |
| 25 | A | A | 0.0000 | |
| 26 | D | A | -2.6275 | |
| 27 | H | A | -1.7407 | |
| 28 | Y | A | 0.0000 | |
| 29 | G | A | 0.0000 | |
| 30 | E | A | 0.0000 | |
| 31 | R | A | -2.3669 | |
| 32 | L | A | -1.4600 | |
| 33 | A | A | 0.0000 | |
| 34 | R | A | -2.5161 | |
| 35 | E | A | -2.0778 | |
| 36 | Q | A | 0.0000 | |
| 37 | L | A | 0.0000 | |
| 38 | A | A | -0.8953 | |
| 39 | L | A | 0.0000 | |
| 40 | E | A | 0.0000 | |
| 41 | H | A | 0.0000 | |
| 42 | E | A | -0.3441 | |
| 43 | S | A | -0.0557 | |
| 44 | Y | A | 0.0000 | |
| 45 | E | A | -1.1813 | |
| 46 | M | A | -0.9784 | |
| 47 | G | A | -1.8672 | |
| 48 | E | A | -2.8691 | |
| 49 | A | A | -2.1841 | |
| 50 | R | A | -2.1787 | |
| 51 | F | A | -1.8693 | |
| 52 | R | A | -2.7085 | |
| 53 | K | A | -2.3961 | |
| 54 | M | A | -0.3966 | |
| 55 | F | A | 0.9598 | |
| 72 | P | A | -0.1887 | |
| 73 | L | A | 0.0000 | |
| 74 | I | A | 0.0000 | |
| 75 | T | A | -0.1653 | |
| 76 | T | A | -0.5795 | |
| 77 | L | A | 0.0000 | |
| 78 | L | A | 0.0000 | |
| 79 | P | A | -0.9846 | |
| 80 | K | A | -1.9507 | |
| 81 | M | A | 0.0000 | |
| 82 | I | A | -1.0982 | |
| 83 | A | A | -1.3202 | |
| 84 | R | A | -1.9301 | |
| 85 | I | A | 0.0000 | |
| 86 | N | A | -2.4734 | |
| 87 | D | A | -2.9197 | |
| 88 | W | A | 0.0000 | |
| 89 | F | A | -2.3776 | |
| 90 | E | A | -3.6018 | |
| 91 | E | A | -2.8604 | |
| 92 | V | A | -2.9672 | |
| 93 | K | A | -3.4073 | |
| 94 | A | A | -2.7119 | |
| 95 | K | A | -3.8936 | |
| 96 | R | A | -3.6750 | |
| 97 | G | A | -2.9956 | |
| 98 | K | A | -2.9735 | |
| 99 | R | A | -2.9156 | |
| 100 | P | A | -1.2666 | |
| 101 | T | A | -1.0592 | |
| 102 | A | A | 0.0000 | |
| 103 | F | A | 0.0000 | |
| 104 | Q | A | -1.9726 | |
| 105 | F | A | -1.2197 | |
| 106 | L | A | 0.0000 | |
| 107 | Q | A | -2.6729 | |
| 108 | E | A | -2.9478 | |
| 109 | I | A | 0.0000 | |
| 110 | K | A | -2.7012 | |
| 111 | P | A | -1.8278 | |
| 112 | E | A | -1.4837 | |
| 113 | A | A | 0.0000 | |
| 114 | V | A | 0.0000 | |
| 115 | A | A | 0.0000 | |
| 116 | Y | A | 0.0000 | |
| 117 | I | A | 0.0000 | |
| 118 | T | A | 0.0000 | |
| 119 | I | A | 0.0000 | |
| 120 | K | A | 0.0000 | |
| 121 | T | A | 0.0000 | |
| 122 | T | A | 0.0000 | |
| 123 | L | A | 0.0000 | |
| 124 | A | A | 0.0942 | |
| 125 | C | A | -0.3094 | |
| 126 | L | A | 0.0000 | |
| 127 | T | A | -0.7860 | |
| 128 | S | A | -1.1193 | |
| 129 | A | A | -1.9533 | |
| 130 | D | A | -2.6233 | |
| 131 | N | A | -2.0984 | |
| 132 | T | A | 0.0000 | |
| 133 | T | A | -1.1315 | |
| 134 | V | A | 0.0000 | |
| 135 | Q | A | -0.6114 | |
| 136 | A | A | -0.3939 | |
| 137 | V | A | 0.0000 | |
| 138 | A | A | 0.0000 | |
| 139 | S | A | -0.5917 | |
| 140 | A | A | -0.3773 | |
| 141 | I | A | 0.0000 | |
| 142 | G | A | 0.0000 | |
| 143 | R | A | -1.1142 | |
| 144 | A | A | 0.0000 | |
| 145 | I | A | 0.0000 | |
| 146 | E | A | 0.0000 | |
| 147 | D | A | 0.0000 | |
| 148 | E | A | 0.0000 | |
| 149 | A | A | -1.4315 | |
| 150 | R | A | -1.2131 | |
| 151 | F | A | -1.0635 | |
| 152 | G | A | -1.7302 | |
| 153 | R | A | -2.3029 | |
| 154 | I | A | -1.3495 | |
| 155 | R | A | 0.0000 | |
| 156 | D | A | -2.2802 | |
| 157 | L | A | -1.4251 | |
| 158 | E | A | 0.0000 | |
| 159 | A | A | -1.7150 | |
| 160 | K | A | -2.3592 | |
| 161 | H | A | -2.0375 | |
| 162 | F | A | 0.0000 | |
| 163 | K | A | -3.2641 | |
| 164 | K | A | -3.6102 | |
| 165 | N | A | -3.3690 | |
| 166 | V | A | -3.0158 | |
| 167 | E | A | -3.4157 | |
| 168 | E | A | -3.3993 | |
| 169 | Q | A | -2.4069 | |
| 170 | L | A | -0.7290 | |
| 171 | N | A | -1.6027 | |
| 172 | K | A | -2.8364 | |
| 173 | R | A | -2.0988 | |
| 174 | V | A | 0.1248 | |
| 175 | G | A | -0.6634 | |
| 176 | H | A | -0.2863 | |
| 177 | V | A | 0.5354 | |
| 178 | Y | A | 0.4237 | |
| 179 | K | A | -1.4908 | |
| 180 | K | A | -2.0440 | |
| 181 | A | A | -1.1301 | |
| 182 | F | A | -0.5569 | |
| 183 | M | A | -0.6293 | |
| 184 | Q | A | -1.0859 | |
| 185 | V | A | -0.6441 | |
| 186 | V | A | 0.0000 | |
| 187 | E | A | -2.0429 | |
| 188 | A | A | -1.3170 | |
| 189 | D | A | -1.9682 | |
| 190 | M | A | -0.6304 | |
| 191 | L | A | -0.5553 | |
| 192 | S | A | -0.4686 | |
| 193 | K | A | -0.8128 | |
| 194 | G | A | 0.0000 | |
| 195 | L | A | 0.0000 | |
| 196 | L | A | 0.2938 | |
| 197 | G | A | -0.4025 | |
| 198 | G | A | -0.8772 | |
| 199 | E | A | -2.0896 | |
| 200 | A | A | -1.1177 | |
| 201 | W | A | -1.2596 | |
| 202 | S | A | -1.0501 | |
| 203 | S | A | -1.0830 | |
| 204 | W | A | 0.0000 | |
| 205 | H | A | -2.0445 | |
| 206 | K | A | -2.1545 | |
| 207 | E | A | -1.8195 | |
| 208 | D | A | -1.2163 | |
| 209 | S | A | 0.0000 | |
| 210 | I | A | 0.0000 | |
| 211 | H | A | -0.7760 | |
| 212 | V | A | 0.0000 | |
| 213 | G | A | 0.0000 | |
| 214 | V | A | 0.0000 | |
| 215 | R | A | -0.1940 | |
| 216 | C | A | 0.0000 | |
| 217 | I | A | 0.0000 | |
| 218 | E | A | 0.0000 | |
| 219 | M | A | 0.0000 | |
| 220 | L | A | 0.0000 | |
| 221 | I | A | -0.6551 | |
| 222 | E | A | -1.9377 | |
| 223 | S | A | -1.4644 | |
| 224 | T | A | 0.0000 | |
| 225 | G | A | -0.8705 | |
| 226 | M | A | 0.0000 | |
| 227 | V | A | 0.0000 | |
| 228 | S | A | -0.3675 | |
| 229 | L | A | -0.6260 | |
| 230 | H | A | -1.7498 | |
| 231 | R | A | -2.6902 | |
| 232 | Q | A | -2.1978 | |
| 233 | N | A | -1.9193 | |
| 234 | A | A | -1.1494 | |
| 235 | G | A | -0.3027 | |
| 236 | V | A | 0.4154 | |
| 237 | V | A | 1.1735 | |
| 238 | G | A | -0.2932 | |
| 239 | Q | A | -1.4134 | |
| 240 | D | A | -1.6437 | |
| 241 | S | A | -1.6573 | |
| 242 | E | A | -1.7730 | |
| 243 | T | A | 0.0000 | |
| 244 | I | A | 0.0000 | |
| 245 | E | A | -0.4969 | |
| 246 | L | A | 0.0000 | |
| 247 | A | A | 0.0000 | |
| 248 | P | A | -1.5109 | |
| 249 | E | A | -2.2093 | |
| 250 | Y | A | -1.2183 | |
| 251 | A | A | 0.0000 | |
| 252 | E | A | -2.3361 | |
| 253 | A | A | -1.5020 | |
| 254 | I | A | 0.0000 | |
| 255 | A | A | 0.0000 | |
| 256 | T | A | -1.5611 | |
| 257 | R | A | -1.9166 | |
| 258 | A | A | -0.9862 | |
| 259 | G | A | -1.0195 | |
| 260 | A | A | 0.0000 | |
| 261 | L | A | 0.0000 | |
| 262 | A | A | -0.3487 | |
| 263 | G | A | 0.0000 | |
| 264 | I | A | 0.0000 | |
| 265 | S | A | 0.0000 | |
| 266 | P | A | 0.0000 | |
| 267 | M | A | 0.4342 | |
| 268 | F | A | 0.6800 | |
| 269 | Q | A | 0.0000 | |
| 270 | P | A | 0.0000 | |
| 271 | C | A | 0.0000 | |
| 272 | V | A | 0.0000 | |
| 273 | V | A | 0.0000 | |
| 274 | P | A | 0.0000 | |
| 275 | P | A | 0.0000 | |
| 276 | K | A | 0.0000 | |
| 277 | P | A | 0.0000 | |
| 278 | W | A | 0.0000 | |
| 279 | T | A | -0.2457 | |
| 280 | G | A | -0.3563 | |
| 281 | I | A | -0.8203 | |
| 282 | T | A | -0.4501 | |
| 283 | G | A | 0.0000 | |
| 284 | G | A | 0.0000 | |
| 285 | G | A | 0.0000 | |
| 286 | Y | A | 0.0000 | |
| 287 | W | A | 0.0000 | |
| 288 | A | A | 0.0000 | |
| 289 | N | A | -0.0924 | |
| 290 | G | A | 0.0000 | |
| 291 | R | A | 0.0000 | |
| 292 | R | A | 0.0000 | |
| 293 | P | A | -0.3965 | |
| 294 | L | A | 0.0000 | |
| 295 | A | A | -0.7772 | |
| 296 | L | A | 0.0000 | |
| 297 | V | A | 0.0000 | |
| 298 | R | A | -1.9876 | |
| 299 | T | A | -1.7130 | |
| 300 | H | A | -2.0590 | |
| 301 | S | A | -2.4439 | |
| 302 | K | A | -2.6785 | |
| 303 | K | A | -2.4870 | |
| 304 | A | A | 0.0000 | |
| 305 | L | A | 0.0000 | |
| 306 | M | A | -1.7386 | |
| 307 | R | A | -1.8703 | |
| 308 | Y | A | 0.0000 | |
| 309 | E | A | -2.4154 | |
| 310 | D | A | -2.1805 | |
| 311 | V | A | -0.4401 | |
| 312 | Y | A | 0.6308 | |
| 313 | M | A | 0.0000 | |
| 314 | P | A | -0.2847 | |
| 315 | E | A | -0.9739 | |
| 316 | V | A | 0.0000 | |
| 317 | Y | A | -0.3918 | |
| 318 | K | A | -1.0717 | |
| 319 | A | A | 0.0000 | |
| 320 | I | A | 0.0000 | |
| 321 | N | A | -0.5740 | |
| 322 | I | A | 0.0000 | |
| 323 | A | A | 0.0000 | |
| 324 | Q | A | 0.0000 | |
| 325 | N | A | -0.7699 | |
| 326 | T | A | 0.0000 | |
| 327 | A | A | 0.0000 | |
| 328 | W | A | 0.0000 | |
| 329 | K | A | -1.3265 | |
| 330 | I | A | 0.0000 | |
| 331 | N | A | -1.7936 | |
| 332 | K | A | -2.9486 | |
| 333 | K | A | -2.5136 | |
| 334 | V | A | 0.0000 | |
| 335 | L | A | 0.0000 | |
| 336 | A | A | -1.0631 | |
| 337 | V | A | 0.0000 | |
| 338 | A | A | 0.0000 | |
| 339 | N | A | -0.2316 | |
| 340 | V | A | 0.8118 | |
| 341 | I | A | 0.0000 | |
| 342 | T | A | 0.0000 | |
| 343 | K | A | -0.7086 | |
| 344 | W | A | -0.6513 | |
| 345 | K | A | -2.3016 | |
| 346 | H | A | -2.0644 | |
| 347 | C | A | -1.2930 | |
| 348 | P | A | -1.3399 | |
| 349 | V | A | 0.0000 | |
| 350 | E | A | -3.0636 | |
| 351 | D | A | -2.7064 | |
| 352 | I | A | -1.5859 | |
| 353 | P | A | 0.0000 | |
| 354 | A | A | -2.1394 | |
| 355 | I | A | -2.0450 | |
| 356 | E | A | -3.5480 | |
| 357 | R | A | -3.4188 | |
| 358 | E | A | -3.4182 | |
| 359 | E | A | -2.6404 | |
| 360 | L | A | -0.6925 | |
| 361 | P | A | -0.5804 | |
| 362 | M | A | -0.1476 | |
| 363 | K | A | -2.0681 | |
| 364 | P | A | -2.0768 | |
| 365 | E | A | -3.1332 | |
| 366 | D | A | -3.2740 | |
| 367 | I | A | -2.1175 | |
| 368 | D | A | -2.6054 | |
| 369 | M | A | -1.6733 | |
| 370 | N | A | -2.0036 | |
| 371 | P | A | -1.5449 | |
| 372 | E | A | -2.1892 | |
| 373 | A | A | -1.8132 | |
| 374 | L | A | -1.6949 | |
| 375 | T | A | -1.6076 | |
| 376 | A | A | -1.5872 | |
| 377 | W | A | -1.2762 | |
| 378 | K | A | -2.4330 | |
| 379 | R | A | -2.0319 | |
| 380 | A | A | -1.1468 | |
| 381 | A | A | 0.0000 | |
| 382 | A | A | -0.8521 | |
| 383 | A | A | -1.0688 | |
| 384 | V | A | -1.0436 | |
| 385 | Y | A | -0.5263 | |
| 386 | R | A | -2.0625 | |
| 387 | K | A | -2.2404 | |
| 388 | D | A | -2.3914 | |
| 389 | K | A | -1.7580 | |
| 390 | A | A | -1.9163 | |
| 391 | R | A | -2.2422 | |
| 392 | K | A | -1.5605 | |
| 393 | S | A | 0.0000 | |
| 394 | R | A | -1.5350 | |
| 395 | R | A | 0.0000 | |
| 396 | I | A | 0.0000 | |
| 397 | S | A | -0.4783 | |
| 398 | L | A | 0.0000 | |
| 399 | E | A | 0.0000 | |
| 400 | F | A | 0.0000 | |
| 401 | M | A | 0.0000 | |
| 402 | L | A | 0.0000 | |
| 403 | E | A | -0.7334 | |
| 404 | Q | A | 0.0000 | |
| 405 | A | A | 0.0000 | |
| 406 | N | A | -1.6872 | |
| 407 | K | A | -1.1431 | |
| 408 | F | A | 0.0000 | |
| 409 | A | A | -1.8468 | |
| 410 | N | A | -2.2412 | |
| 411 | H | A | -1.6150 | |
| 412 | K | A | -1.6747 | |
| 413 | A | A | 0.0000 | |
| 414 | I | A | 0.0000 | |
| 415 | W | A | 0.0000 | |
| 416 | F | A | 0.0000 | |
| 417 | P | A | 0.0000 | |
| 418 | Y | A | 0.0000 | |
| 419 | N | A | 0.0000 | |
| 420 | M | A | 0.0000 | |
| 421 | D | A | -0.8721 | |
| 422 | W | A | -0.7273 | |
| 423 | R | A | -0.4772 | |
| 424 | G | A | 0.0000 | |
| 425 | R | A | -0.2118 | |
| 426 | V | A | 0.0000 | |
| 427 | Y | A | 0.4022 | |
| 428 | A | A | 0.0000 | |
| 429 | V | A | 0.4634 | |
| 430 | S | A | 0.0000 | |
| 431 | M | A | 0.4387 | |
| 432 | F | A | 0.0000 | |
| 433 | N | A | -0.3539 | |
| 434 | P | A | 0.0000 | |
| 435 | Q | A | -0.5247 | |
| 436 | G | A | -1.0751 | |
| 437 | N | A | -1.7537 | |
| 438 | D | A | -1.6503 | |
| 439 | M | A | 0.0000 | |
| 440 | T | A | 0.0000 | |
| 441 | K | A | -1.2444 | |
| 442 | G | A | 0.0000 | |
| 443 | L | A | 0.0000 | |
| 444 | L | A | 0.0000 | |
| 445 | T | A | 0.0000 | |
| 446 | L | A | 0.0000 | |
| 447 | A | A | 0.0000 | |
| 448 | K | A | -1.6514 | |
| 449 | G | A | -1.3164 | |
| 450 | K | A | -1.3204 | |
| 451 | P | A | -1.2258 | |
| 452 | I | A | 0.0000 | |
| 453 | G | A | -1.5386 | |
| 454 | K | A | -2.4108 | |
| 455 | E | A | -2.3864 | |
| 456 | G | A | 0.0000 | |
| 457 | Y | A | -0.7434 | |
| 458 | Y | A | -0.4419 | |
| 459 | W | A | 0.0000 | |
| 460 | L | A | 0.0000 | |
| 461 | K | A | 0.0000 | |
| 462 | I | A | 0.0000 | |
| 463 | H | A | -0.2531 | |
| 464 | G | A | 0.0000 | |
| 465 | A | A | 0.0000 | |
| 466 | N | A | -1.3152 | |
| 467 | C | A | 0.0000 | |
| 468 | A | A | 0.0000 | |
| 469 | G | A | -1.6126 | |
| 470 | V | A | -1.3490 | |
| 471 | D | A | -2.2280 | |
| 472 | K | A | -1.8395 | |
| 473 | V | A | -1.1218 | |
| 474 | P | A | -1.1499 | |
| 475 | F | A | 0.0000 | |
| 476 | P | A | -1.1473 | |
| 477 | E | A | -2.1860 | |
| 478 | R | A | 0.0000 | |
| 479 | I | A | -1.4464 | |
| 480 | K | A | -2.9724 | |
| 481 | F | A | -1.8884 | |
| 482 | I | A | 0.0000 | |
| 483 | E | A | -3.3303 | |
| 484 | E | A | -3.4055 | |
| 485 | N | A | -2.6807 | |
| 486 | H | A | -2.4921 | |
| 487 | E | A | -2.8392 | |
| 488 | N | A | -2.3413 | |
| 489 | I | A | 0.0000 | |
| 490 | M | A | -1.4095 | |
| 491 | A | A | -1.6939 | |
| 492 | C | A | 0.0000 | |
| 493 | A | A | -1.2269 | |
| 494 | K | A | -1.9269 | |
| 495 | S | A | -1.3087 | |
| 496 | P | A | -0.8686 | |
| 497 | L | A | -0.1926 | |
| 498 | E | A | -1.7851 | |
| 499 | N | A | -1.3181 | |
| 500 | T | A | -0.8608 | |
| 501 | W | A | -0.7668 | |
| 502 | W | A | 0.0000 | |
| 503 | A | A | 0.0000 | |
| 504 | E | A | -2.5686 | |
| 505 | Q | A | -1.9875 | |
| 506 | D | A | -2.4878 | |
| 507 | S | A | -1.8444 | |
| 508 | P | A | 0.0000 | |
| 509 | F | A | 0.0000 | |
| 510 | C | A | -0.6116 | |
| 511 | F | A | 0.0000 | |
| 512 | L | A | 0.0000 | |
| 513 | A | A | 0.0000 | |
| 514 | F | A | 0.0000 | |
| 515 | C | A | 0.0000 | |
| 516 | F | A | -0.4898 | |
| 517 | E | A | -0.2915 | |
| 518 | Y | A | 0.0000 | |
| 519 | A | A | -0.8450 | |
| 520 | G | A | -0.9294 | |
| 521 | V | A | 0.0000 | |
| 522 | Q | A | -1.2262 | |
| 523 | H | A | -1.6983 | |
| 524 | H | A | -1.7917 | |
| 525 | G | A | -1.2883 | |
| 526 | L | A | -1.0305 | |
| 527 | S | A | -0.9531 | |
| 528 | Y | A | -1.2045 | |
| 529 | N | A | -1.7978 | |
| 530 | C | A | 0.0000 | |
| 531 | S | A | -0.7437 | |
| 532 | L | A | 0.0000 | |
| 533 | P | A | -0.1299 | |
| 534 | L | A | 0.0000 | |
| 535 | A | A | -0.4087 | |
| 536 | F | A | 0.0000 | |
| 537 | D | A | -1.6256 | |
| 538 | G | A | 0.0000 | |
| 539 | S | A | -0.6510 | |
| 540 | C | A | -0.1797 | |
| 541 | S | A | -0.2762 | |
| 542 | G | A | 0.0000 | |
| 543 | I | A | 0.3146 | |
| 544 | Q | A | 0.0000 | |
| 545 | H | A | 0.0000 | |
| 546 | F | A | 0.0000 | |
| 547 | S | A | 0.0000 | |
| 548 | A | A | 0.0000 | |
| 549 | M | A | 0.0000 | |
| 550 | L | A | 0.0000 | |
| 551 | R | A | -2.2000 | |
| 552 | D | A | -1.4583 | |
| 553 | E | A | -1.7868 | |
| 554 | V | A | 0.4463 | |
| 555 | G | A | 0.0000 | |
| 556 | G | A | 0.0000 | |
| 557 | R | A | -1.7285 | |
| 558 | A | A | 0.0000 | |
| 559 | V | A | 0.0000 | |
| 560 | N | A | 0.0000 | |
| 561 | L | A | 0.0000 | |
| 562 | L | A | 0.0000 | |
| 563 | P | A | -1.7032 | |
| 564 | S | A | -1.7237 | |
| 565 | E | A | -1.9675 | |
| 566 | T | A | -1.1414 | |
| 567 | V | A | -1.1972 | |
| 568 | Q | A | -0.9623 | |
| 569 | D | A | -0.6996 | |
| 570 | I | A | 0.0000 | |
| 571 | Y | A | -0.5766 | |
| 572 | G | A | 0.0000 | |
| 573 | I | A | -0.2505 | |
| 574 | V | A | 0.0000 | |
| 575 | A | A | 0.0000 | |
| 576 | K | A | -2.4187 | |
| 577 | K | A | -1.8500 | |
| 578 | V | A | 0.0000 | |
| 579 | N | A | -2.1208 | |
| 580 | E | A | -2.9094 | |
| 581 | I | A | -1.6343 | |
| 582 | L | A | 0.0000 | |
| 583 | Q | A | -1.6126 | |
| 584 | A | A | -1.0293 | |
| 585 | D | A | -1.1853 | |
| 586 | A | A | -0.5178 | |
| 587 | I | A | 0.6769 | |
| 588 | N | A | -1.2694 | |
| 589 | G | A | -1.5895 | |
| 590 | T | A | -2.1319 | |
| 591 | D | A | -3.1150 | |
| 592 | N | A | -2.5286 | |
| 593 | E | A | -1.8277 | |
| 594 | V | A | 0.4107 | |
| 595 | V | A | -0.3041 | |
| 596 | T | A | -1.1825 | |
| 597 | V | A | -0.9532 | |
| 598 | T | A | -1.1740 | |
| 599 | D | A | -2.8530 | |
| 600 | E | A | -3.4938 | |
| 601 | N | A | -2.6176 | |
| 602 | T | A | -1.4379 | |
| 603 | G | A | -1.1883 | |
| 604 | E | A | -1.9491 | |
| 605 | I | A | 0.3548 | |
| 606 | S | A | -1.2270 | |
| 607 | E | A | -2.5153 | |
| 608 | K | A | -1.9147 | |
| 609 | V | A | -1.5643 | |
| 610 | K | A | -2.8384 | |
| 611 | L | A | 0.0000 | |
| 612 | G | A | 0.0000 | |
| 613 | T | A | -1.5994 | |
| 614 | K | A | -2.0423 | |
| 615 | A | A | -1.3406 | |
| 616 | L | A | 0.0000 | |
| 617 | A | A | 0.0000 | |
| 618 | G | A | -0.1095 | |
| 619 | Q | A | 0.0000 | |
| 620 | W | A | 0.0000 | |
| 621 | L | A | 0.5197 | |
| 622 | A | A | 0.7319 | |
| 623 | Y | A | 0.5665 | |
| 624 | G | A | 0.0726 | |
| 625 | V | A | 0.0000 | |
| 626 | T | A | -0.8865 | |
| 627 | R | A | -1.6349 | |
| 628 | S | A | -1.1890 | |
| 629 | V | A | -0.9151 | |
| 630 | T | A | 0.0000 | |
| 631 | K | A | -1.5006 | |
| 632 | R | A | -2.0209 | |
| 633 | S | A | -0.9808 | |
| 634 | V | A | 0.1401 | |
| 635 | M | A | -0.2575 | |
| 636 | T | A | -0.6344 | |
| 637 | L | A | -0.0018 | |
| 638 | A | A | 0.2510 | |
| 639 | Y | A | 0.2967 | |
| 640 | G | A | -0.3003 | |
| 641 | S | A | -0.9325 | |
| 642 | K | A | -1.2222 | |
| 643 | E | A | -1.3940 | |
| 644 | F | A | 0.6180 | |
| 645 | G | A | -0.3363 | |
| 646 | F | A | -0.2463 | |
| 647 | R | A | -2.4318 | |
| 648 | Q | A | -2.4697 | |
| 649 | Q | A | -2.0921 | |
| 650 | V | A | 0.0000 | |
| 651 | L | A | -2.1019 | |
| 652 | E | A | -2.6636 | |
| 653 | D | A | -2.1546 | |
| 654 | T | A | 0.0000 | |
| 655 | I | A | 0.0000 | |
| 656 | Q | A | -1.6609 | |
| 657 | P | A | -1.4986 | |
| 658 | A | A | 0.0000 | |
| 659 | I | A | -0.4828 | |
| 660 | D | A | -2.1854 | |
| 661 | S | A | -1.5945 | |
| 662 | G | A | -1.3650 | |
| 663 | K | A | -1.4817 | |
| 664 | G | A | 0.0000 | |
| 665 | L | A | 1.2378 | |
| 666 | M | A | 0.8470 | |
| 667 | F | A | 0.0000 | |
| 668 | T | A | -0.1239 | |
| 669 | Q | A | -1.3537 | |
| 670 | P | A | -0.9982 | |
| 671 | N | A | -2.3693 | |
| 672 | Q | A | -1.8449 | |
| 673 | A | A | 0.0000 | |
| 674 | A | A | 0.0000 | |
| 675 | G | A | -1.6158 | |
| 676 | Y | A | 0.0000 | |
| 677 | M | A | 0.0000 | |
| 678 | A | A | 0.0000 | |
| 679 | K | A | -2.0866 | |
| 680 | L | A | 0.0000 | |
| 681 | I | A | 0.0000 | |
| 682 | W | A | -0.3612 | |
| 683 | E | A | -1.5138 | |
| 684 | S | A | 0.0000 | |
| 685 | V | A | 0.5625 | |
| 686 | S | A | 0.7069 | |
| 687 | V | A | 1.7175 | |
| 688 | T | A | 1.4382 | |
| 689 | V | A | 0.0000 | |
| 690 | V | A | 2.1227 | |
| 691 | A | A | 0.2945 | |
| 692 | A | A | 0.0000 | |
| 693 | V | A | -0.1450 | |
| 694 | E | A | -1.6104 | |
| 695 | A | A | 0.0000 | |
| 696 | M | A | -1.0354 | |
| 697 | N | A | -1.8820 | |
| 698 | W | A | 0.0000 | |
| 699 | L | A | 0.0000 | |
| 700 | K | A | -1.7204 | |
| 701 | S | A | -1.4359 | |
| 702 | A | A | 0.0000 | |
| 703 | A | A | 0.0000 | |
| 704 | K | A | -2.3739 | |
| 705 | L | A | -1.1670 | |
| 706 | L | A | 0.0000 | |
| 707 | A | A | 0.0000 | |
| 708 | A | A | -1.6794 | |
| 709 | E | A | -2.8170 | |
| 710 | V | A | -2.2143 | |
| 711 | K | A | -3.8558 | |
| 712 | D | A | -4.3946 | |
| 713 | K | A | -4.0894 | |
| 714 | K | A | -3.6762 | |
| 715 | T | A | -2.8609 | |
| 716 | G | A | -3.3437 | |
| 717 | E | A | -2.8633 | |
| 718 | I | A | -1.0660 | |
| 719 | L | A | 0.3196 | |
| 720 | R | A | 0.0000 | |
| 721 | K | A | -2.3461 | |
| 722 | R | A | -1.8663 | |
| 723 | S | A | -1.3404 | mutated: CS723A |
| 724 | A | A | -0.1148 | |
| 725 | V | A | 0.0000 | |
| 726 | H | A | -0.2108 | |
| 727 | W | A | 0.0000 | |
| 728 | V | A | 0.4375 | |
| 729 | T | A | 0.0000 | |
| 730 | P | A | -0.2734 | |
| 731 | D | A | 0.0000 | |
| 732 | G | A | 0.1521 | |
| 733 | F | A | 0.0000 | |
| 734 | P | A | 0.0000 | |
| 735 | V | A | 0.0000 | |
| 736 | W | A | 0.1826 | |
| 737 | Q | A | 0.0000 | |
| 738 | E | A | 0.0000 | |
| 739 | Y | A | -1.4772 | |
| 740 | K | A | -2.8689 | |
| 741 | K | A | -3.3147 | |
| 742 | P | A | -2.8732 | |
| 743 | I | A | -2.0651 | |
| 744 | Q | A | -2.4604 | |
| 745 | T | A | -1.7009 | |
| 746 | R | A | -2.7278 | |
| 747 | L | A | 0.0000 | |
| 748 | N | A | -2.0907 | |
| 749 | L | A | 0.0000 | |
| 750 | M | A | -0.5276 | |
| 751 | F | A | 0.0000 | |
| 752 | L | A | -0.4719 | |
| 753 | G | A | -0.6912 | |
| 754 | Q | A | -0.9772 | |
| 755 | F | A | -0.3396 | |
| 756 | R | A | -1.7076 | |
| 757 | L | A | 0.0000 | |
| 758 | Q | A | -1.6987 | |
| 759 | P | A | 0.0000 | |
| 760 | T | A | -1.5476 | |
| 761 | I | A | 0.0000 | |
| 762 | N | A | -2.6234 | |
| 763 | T | A | 0.0000 | |
| 764 | N | A | -3.3348 | |
| 765 | K | A | -3.9689 | |
| 766 | D | A | -4.0358 | |
| 767 | S | A | -2.7893 | |
| 768 | E | A | -3.2023 | |
| 769 | I | A | -2.2500 | |
| 770 | D | A | -1.9820 | |
| 771 | A | A | -2.0037 | |
| 772 | H | A | -2.0501 | |
| 773 | K | A | -2.3948 | |
| 774 | Q | A | 0.0000 | |
| 775 | E | A | -2.0528 | |
| 776 | S | A | -1.5540 | |
| 777 | G | A | -0.8311 | |
| 778 | I | A | 0.0000 | |
| 779 | A | A | 0.0000 | |
| 780 | P | A | -0.0573 | |
| 781 | N | A | 0.0000 | |
| 782 | F | A | 0.0000 | |
| 783 | V | A | 0.0000 | |
| 784 | H | A | -0.3023 | |
| 785 | S | A | 0.0000 | |
| 786 | Q | A | 0.0000 | |
| 787 | D | A | 0.0000 | |
| 788 | G | A | 0.0000 | |
| 789 | S | A | 0.0000 | |
| 790 | H | A | 0.0000 | |
| 791 | L | A | 0.0000 | |
| 792 | R | A | 0.0000 | |
| 793 | K | A | -0.7463 | |
| 794 | T | A | 0.0000 | |
| 795 | V | A | 0.0000 | |
| 796 | V | A | -0.9961 | |
| 797 | W | A | -1.0237 | |
| 798 | A | A | 0.0000 | |
| 799 | H | A | -2.2136 | |
| 800 | E | A | -2.9456 | |
| 801 | K | A | -2.6381 | |
| 802 | Y | A | -1.8955 | |
| 803 | G | A | -1.8660 | |
| 804 | I | A | 0.0000 | |
| 805 | E | A | -2.4135 | |
| 806 | S | A | 0.0000 | |
| 807 | F | A | 0.0000 | |
| 808 | A | A | 0.0000 | |
| 809 | L | A | 0.0000 | |
| 810 | I | A | -0.1191 | |
| 811 | H | A | -0.4621 | |
| 812 | D | A | -1.0001 | |
| 813 | S | A | -0.9056 | |
| 814 | F | A | 0.0000 | |
| 815 | G | A | 0.0000 | |
| 816 | T | A | 0.0000 | |
| 817 | I | A | 0.0000 | |
| 818 | P | A | 0.0000 | |
| 819 | A | A | -0.9662 | |
| 820 | D | A | 0.0000 | |
| 821 | A | A | 0.0000 | |
| 822 | A | A | -0.7502 | |
| 823 | N | A | -1.0771 | |
| 824 | L | A | 0.0000 | |
| 825 | F | A | -0.6842 | |
| 826 | K | A | -1.3759 | |
| 827 | A | A | 0.0000 | |
| 828 | V | A | 0.0000 | |
| 829 | R | A | 0.0000 | |
| 830 | E | A | -1.0856 | |
| 831 | T | A | 0.0000 | |
| 832 | M | A | 0.0000 | |
| 833 | V | A | 0.0000 | |
| 834 | D | A | -2.7955 | |
| 835 | T | A | -1.6901 | |
| 836 | Y | A | 0.0000 | |
| 837 | E | A | -3.0472 | |
| 838 | S | A | -1.6647 | |
| 839 | C | A | -1.4582 | |
| 840 | D | A | -1.7890 | |
| 841 | V | A | 0.0000 | |
| 842 | L | A | 0.0000 | |
| 843 | A | A | -1.4163 | |
| 844 | D | A | -2.5094 | |
| 845 | F | A | 0.0000 | |
| 846 | Y | A | -1.5667 | |
| 847 | D | A | -3.0139 | |
| 848 | Q | A | -2.3394 | |
| 849 | F | A | 0.0000 | |
| 850 | A | A | -1.8599 | |
| 851 | D | A | -2.9158 | |
| 852 | Q | A | -2.5480 | |
| 853 | L | A | 0.0000 | |
| 854 | H | A | -1.4208 | |
| 855 | E | A | -1.2175 | |
| 856 | S | A | -0.9752 | |
| 857 | Q | A | -1.8716 | |
| 858 | L | A | -1.2448 | |
| 859 | D | A | -2.6267 | |
| 860 | K | A | -2.5895 | |
| 861 | M | A | 0.0000 | |
| 862 | P | A | -0.6186 | |
| 863 | A | A | -0.1215 | |
| 864 | L | A | 0.2353 | |
| 865 | P | A | -0.6384 | |
| 866 | A | A | -1.1196 | |
| 867 | K | A | -2.2968 | |
| 868 | G | A | -2.2050 | |
| 869 | N | A | -2.3779 | |
| 870 | L | A | 0.0000 | |
| 871 | N | A | -2.9668 | |
| 872 | L | A | 0.0000 | |
| 873 | R | A | -3.2533 | |
| 874 | D | A | -2.4717 | |
| 875 | I | A | 0.0000 | |
| 876 | L | A | -1.4509 | |
| 877 | E | A | -2.4966 | |
| 878 | S | A | 0.0000 | |
| 879 | D | A | -1.4551 | |
| 880 | F | A | 0.0000 | |
| 881 | A | A | 0.0000 | |
| 882 | F | A | 0.0000 | |
| 883 | A | A | 0.0000 |
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 | -0.8615 | 3.4222 | View | CSV | PDB |
| 4.5 | -0.9361 | 3.2991 | View | CSV | PDB |
| 5.0 | -1.0289 | 3.1183 | View | CSV | PDB |
| 5.5 | -1.1204 | 2.9145 | View | CSV | PDB |
| 6.0 | -1.1901 | 2.7267 | View | CSV | PDB |
| 6.5 | -1.2239 | 2.5894 | View | CSV | PDB |
| 7.0 | -1.2209 | 2.5242 | View | CSV | PDB |
| 7.5 | -1.1924 | 2.5311 | View | CSV | PDB |
| 8.0 | -1.15 | 2.6789 | View | CSV | PDB |
| 8.5 | -1.0984 | 2.8301 | View | CSV | PDB |
| 9.0 | -1.0377 | 2.9815 | 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