| Chain sequence(s) |
A: SEVAHRFKDLGEENFKALVLIAFAQYLQQCPFEDHVKLVNEVTEFAKTCVADESAENCDKSLHTLFGDKLCTVATLRETYGEMADCCAKQEPERNECFLQHKDDNPNLPRLVRPEVDVMCTAFHDNEETFLKKYLYEIARRHPYFYAPELLFFAKRYKAAFTECCQAADKAACLLPKLDELRDEGKASSAKQRLKCASLQKFGERAFKAWAVARLSQRFPKAEFAEVSKLVTDLTKVHTECCHGDLLECADDRADLAKYICENQDSISSKLKECCEKPLLEKSHCIAEVENDEMPADLPSLAADFVESKDVCKNYAEAKDVFLGMFLYELARRHPDLSVVELLRAADTYETTLEKCCAAADPHECYAKVDQKITQNAIDGLTNKVNSCIEKEELGEYKYTNKLLVKYTKKVPQVSTPTLVEVSRNLGKVGSKCCKHPEKEIPKCADDYLSVVLNQLCVLHEKTPVSDRVTKCCTESLVNRVPCFDALEVDETYVPKEFNAETFTFHADICTLSEKERQIKKQTALVELVKHKPKATKEQLFAVMDDFAAFVEKCCKADDKETCFAEEGKKLVAASQAA
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] (00:00:01)
[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] Analysis: Starting Aggrescan4D on folded.pdb (00:28:35)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/578e95e4be36e9f/tmp/folded.pdb (00:28:35)
[INFO] Main: Simulation completed successfully. (00:38:56)
|
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 | S | A | -2.1778 | |
| 2 | E | A | -1.7975 | |
| 3 | V | A | 0.0000 | |
| 4 | A | A | 0.0000 | |
| 5 | H | A | -2.5383 | |
| 6 | R | A | -2.2354 | |
| 7 | F | A | 0.0000 | |
| 8 | K | A | -3.1883 | |
| 9 | D | A | -3.1710 | |
| 10 | L | A | -2.2547 | |
| 11 | G | A | -2.4663 | |
| 12 | E | A | -2.7932 | |
| 13 | E | A | -2.5741 | |
| 14 | N | A | -1.8456 | |
| 15 | F | A | 0.0000 | |
| 16 | K | A | -1.3327 | |
| 17 | A | A | -0.8533 | |
| 18 | L | A | 0.0000 | |
| 19 | V | A | 0.0000 | |
| 20 | L | A | 0.0000 | |
| 21 | I | A | 0.0000 | |
| 22 | A | A | 0.0000 | |
| 23 | F | A | 0.0000 | |
| 24 | A | A | 0.0000 | |
| 25 | Q | A | 0.0000 | |
| 26 | Y | A | 0.0000 | |
| 27 | L | A | 0.0000 | |
| 28 | Q | A | 0.0000 | |
| 29 | Q | A | -0.8064 | |
| 30 | C | A | 0.0000 | |
| 31 | P | A | -1.0668 | |
| 32 | F | A | -1.5128 | |
| 33 | E | A | -2.5764 | |
| 34 | D | A | -2.1129 | |
| 35 | H | A | 0.0000 | |
| 36 | V | A | -1.9813 | |
| 37 | K | A | -3.0165 | |
| 38 | L | A | 0.0000 | |
| 39 | V | A | 0.0000 | |
| 40 | N | A | -2.7877 | |
| 41 | E | A | -3.2373 | |
| 42 | V | A | 0.0000 | |
| 43 | T | A | 0.0000 | |
| 44 | E | A | -2.8211 | |
| 45 | F | A | -1.6242 | |
| 46 | A | A | 0.0000 | |
| 47 | K | A | -2.1210 | |
| 48 | T | A | -1.6386 | |
| 49 | C | A | 0.0000 | |
| 50 | V | A | -1.5564 | |
| 51 | A | A | -1.1233 | |
| 52 | D | A | -2.5626 | |
| 53 | E | A | -3.4040 | |
| 54 | S | A | -2.3457 | |
| 55 | A | A | -2.2771 | |
| 56 | E | A | -2.8493 | |
| 57 | N | A | -2.2447 | |
| 58 | C | A | 0.0000 | |
| 59 | D | A | -3.0640 | |
| 60 | K | A | -1.9613 | |
| 61 | S | A | -1.0751 | |
| 62 | L | A | 0.0000 | |
| 63 | H | A | -0.7285 | |
| 64 | T | A | -0.8334 | |
| 65 | L | A | -0.5857 | |
| 66 | F | A | -0.2701 | |
| 67 | G | A | 0.0000 | |
| 68 | D | A | -0.8307 | |
| 69 | K | A | -0.9420 | |
| 70 | L | A | 0.0000 | |
| 71 | C | A | -0.5013 | |
| 72 | T | A | -0.1906 | |
| 73 | V | A | -0.3372 | |
| 74 | A | A | -0.4623 | |
| 75 | T | A | -1.1478 | |
| 76 | L | A | 0.0000 | |
| 77 | R | A | -3.3935 | |
| 78 | E | A | -2.9516 | |
| 79 | T | A | -1.7749 | |
| 80 | Y | A | -1.8343 | |
| 81 | G | A | -2.5498 | |
| 82 | E | A | -3.0648 | |
| 83 | M | A | 0.0000 | |
| 84 | A | A | -2.4083 | |
| 85 | D | A | -2.8082 | |
| 86 | C | A | 0.0000 | |
| 87 | C | A | -1.4621 | |
| 88 | A | A | -1.4246 | |
| 89 | K | A | -2.8792 | |
| 90 | Q | A | -2.4958 | |
| 91 | E | A | -2.2995 | |
| 92 | P | A | -2.2710 | |
| 93 | E | A | -3.1721 | |
| 94 | R | A | 0.0000 | |
| 95 | N | A | -2.2141 | |
| 96 | E | A | -3.0168 | |
| 97 | C | A | -2.5297 | |
| 98 | F | A | 0.0000 | |
| 99 | L | A | -1.4346 | |
| 100 | Q | A | -1.7723 | |
| 101 | H | A | -1.4247 | |
| 102 | K | A | 0.0000 | |
| 103 | D | A | -1.5971 | |
| 104 | D | A | -1.6319 | |
| 105 | N | A | -2.1095 | |
| 106 | P | A | -1.6100 | |
| 107 | N | A | -2.0541 | |
| 108 | L | A | -1.1786 | |
| 109 | P | A | -0.7697 | |
| 110 | R | A | -1.0616 | |
| 111 | L | A | 1.0248 | |
| 112 | V | A | 1.2315 | |
| 113 | R | A | -0.1223 | |
| 114 | P | A | -0.7331 | |
| 115 | E | A | -1.9297 | |
| 116 | V | A | -1.3552 | |
| 117 | D | A | -1.7899 | |
| 118 | V | A | -0.3108 | |
| 119 | M | A | 0.0000 | |
| 120 | C | A | 0.0000 | |
| 121 | T | A | -1.1343 | |
| 122 | A | A | -1.1677 | |
| 123 | F | A | 0.0000 | |
| 124 | H | A | -2.5205 | |
| 125 | D | A | -3.0494 | |
| 126 | N | A | -2.8486 | |
| 127 | E | A | -2.8901 | |
| 128 | E | A | -2.9128 | |
| 129 | T | A | -1.6922 | |
| 130 | F | A | -1.5536 | |
| 131 | L | A | -1.2844 | |
| 132 | K | A | -1.0136 | |
| 133 | K | A | -1.3029 | |
| 134 | Y | A | -0.2540 | |
| 135 | L | A | 0.0000 | |
| 136 | Y | A | 0.0000 | |
| 137 | E | A | -0.1198 | |
| 138 | I | A | -0.0735 | |
| 139 | A | A | 0.0000 | |
| 140 | R | A | -0.5857 | |
| 141 | R | A | -0.9782 | |
| 142 | H | A | -0.7612 | |
| 143 | P | A | 0.0000 | |
| 144 | Y | A | -0.2233 | |
| 145 | F | A | 0.0000 | |
| 146 | Y | A | -0.0703 | |
| 147 | A | A | 0.0000 | |
| 148 | P | A | 0.0000 | |
| 149 | E | A | -0.3658 | |
| 150 | L | A | 0.0000 | |
| 151 | L | A | 0.0000 | |
| 152 | F | A | 0.0000 | |
| 153 | F | A | 0.0000 | |
| 154 | A | A | -0.8488 | |
| 155 | K | A | -1.7594 | |
| 156 | R | A | -1.2699 | |
| 157 | Y | A | -0.9608 | |
| 158 | K | A | -1.6472 | |
| 159 | A | A | -1.2834 | |
| 160 | A | A | 0.0000 | |
| 161 | F | A | 0.0000 | |
| 162 | T | A | -1.5485 | |
| 163 | E | A | -2.3005 | |
| 164 | C | A | 0.0000 | |
| 165 | C | A | 0.0000 | |
| 166 | Q | A | -2.0588 | |
| 167 | A | A | -1.6994 | |
| 168 | A | A | -1.2079 | |
| 169 | D | A | -2.1666 | |
| 170 | K | A | -2.0498 | |
| 171 | A | A | -1.1296 | |
| 172 | A | A | -0.5576 | |
| 173 | C | A | -0.9463 | |
| 174 | L | A | 0.0000 | |
| 175 | L | A | -0.2477 | |
| 176 | P | A | -1.0093 | |
| 177 | K | A | -1.4694 | |
| 178 | L | A | 0.0000 | |
| 179 | D | A | -2.5633 | |
| 180 | E | A | -3.5280 | |
| 181 | L | A | 0.0000 | |
| 182 | R | A | -3.7377 | |
| 183 | D | A | -4.1023 | |
| 184 | E | A | -3.1644 | |
| 185 | G | A | -2.6521 | |
| 186 | K | A | -3.1107 | |
| 187 | A | A | -1.8105 | |
| 188 | S | A | -1.4095 | |
| 189 | S | A | 0.0000 | |
| 190 | A | A | -0.8848 | |
| 191 | K | A | -0.9575 | |
| 192 | Q | A | 0.0000 | |
| 193 | R | A | -0.6192 | |
| 194 | L | A | 0.0000 | |
| 195 | K | A | -0.9728 | |
| 196 | C | A | 0.0000 | |
| 197 | A | A | -0.8996 | |
| 198 | S | A | 0.0000 | |
| 199 | L | A | 0.0000 | |
| 200 | Q | A | -1.9148 | |
| 201 | K | A | -1.7470 | |
| 202 | F | A | -1.3375 | |
| 203 | G | A | -1.9498 | |
| 204 | E | A | -2.9688 | |
| 205 | R | A | -3.0089 | |
| 206 | A | A | -1.5849 | |
| 207 | F | A | 0.0000 | |
| 208 | K | A | -1.8984 | |
| 209 | A | A | -1.3000 | |
| 210 | W | A | -0.6642 | |
| 211 | A | A | 0.0000 | |
| 212 | V | A | 0.0000 | |
| 213 | A | A | 0.0000 | |
| 214 | R | A | -0.9679 | |
| 215 | L | A | 0.0000 | |
| 216 | S | A | 0.0000 | |
| 217 | Q | A | 0.0000 | |
| 218 | R | A | -2.1964 | |
| 219 | F | A | 0.0000 | |
| 220 | P | A | 0.0000 | |
| 221 | K | A | -2.5862 | |
| 222 | A | A | 0.0000 | |
| 223 | E | A | -2.1798 | |
| 224 | F | A | -0.8449 | |
| 225 | A | A | -0.7983 | |
| 226 | E | A | -1.1871 | |
| 227 | V | A | 0.0000 | |
| 228 | S | A | -0.8929 | |
| 229 | K | A | -1.4999 | |
| 230 | L | A | 0.0000 | |
| 231 | V | A | 0.0000 | |
| 232 | T | A | -1.5775 | |
| 233 | D | A | -2.0437 | |
| 234 | L | A | -1.0914 | |
| 235 | T | A | 0.0000 | |
| 236 | K | A | -1.9336 | |
| 237 | V | A | 0.0000 | |
| 238 | H | A | 0.0000 | |
| 239 | T | A | -1.2608 | |
| 240 | E | A | -1.0063 | |
| 241 | C | A | 0.0000 | |
| 242 | C | A | 0.0000 | |
| 243 | H | A | -0.9939 | |
| 244 | G | A | -0.6329 | |
| 245 | D | A | -0.6417 | |
| 246 | L | A | 0.0000 | |
| 247 | L | A | 0.0000 | |
| 248 | E | A | -1.2968 | |
| 249 | C | A | 0.0000 | |
| 250 | A | A | 0.0000 | |
| 251 | D | A | -1.5873 | |
| 252 | D | A | -2.0308 | |
| 253 | R | A | 0.0000 | |
| 254 | A | A | -1.5299 | |
| 255 | D | A | -2.6848 | |
| 256 | L | A | 0.0000 | |
| 257 | A | A | 0.0000 | |
| 258 | K | A | -2.6125 | |
| 259 | Y | A | -1.6297 | |
| 260 | I | A | 0.0000 | |
| 261 | C | A | -2.5731 | |
| 262 | E | A | -2.5977 | |
| 263 | N | A | -2.0130 | |
| 264 | Q | A | -2.2860 | |
| 265 | D | A | -2.8119 | |
| 266 | S | A | -2.1021 | |
| 267 | I | A | 0.0000 | |
| 268 | S | A | 0.0000 | |
| 269 | S | A | -2.0254 | |
| 270 | K | A | -2.5182 | |
| 271 | L | A | 0.0000 | |
| 272 | K | A | -3.1587 | |
| 273 | E | A | -3.3378 | |
| 274 | C | A | 0.0000 | |
| 275 | C | A | -2.6711 | |
| 276 | E | A | -3.0947 | |
| 277 | K | A | -2.3027 | |
| 278 | P | A | -0.6839 | |
| 279 | L | A | 0.1561 | |
| 280 | L | A | -0.0320 | |
| 281 | E | A | -0.8235 | |
| 282 | K | A | -1.1833 | |
| 283 | S | A | 0.0000 | |
| 284 | H | A | -0.7137 | |
| 285 | C | A | -1.2175 | |
| 286 | I | A | 0.0000 | |
| 287 | A | A | -1.2187 | |
| 288 | E | A | -2.4393 | |
| 289 | V | A | 0.0000 | |
| 290 | E | A | -3.2658 | |
| 291 | N | A | -3.1033 | |
| 292 | D | A | 0.0000 | |
| 293 | E | A | -2.6387 | |
| 294 | M | A | -1.4994 | |
| 295 | P | A | -1.1664 | |
| 296 | A | A | -1.1138 | |
| 297 | D | A | -1.6943 | |
| 298 | L | A | -0.7702 | |
| 299 | P | A | -0.8592 | |
| 300 | S | A | -0.7216 | |
| 301 | L | A | -0.7761 | |
| 302 | A | A | -1.1750 | |
| 303 | A | A | -1.7210 | |
| 304 | D | A | -2.7023 | |
| 305 | F | A | 0.0000 | |
| 306 | V | A | 0.0000 | |
| 307 | E | A | -3.0688 | |
| 308 | S | A | -2.7882 | |
| 309 | K | A | -3.4625 | |
| 310 | D | A | -3.5383 | |
| 311 | V | A | 0.0000 | |
| 312 | C | A | -2.3010 | |
| 313 | K | A | -3.4267 | |
| 314 | N | A | -2.9462 | |
| 315 | Y | A | 0.0000 | |
| 316 | A | A | -2.4904 | |
| 317 | E | A | -2.8097 | |
| 318 | A | A | -1.7812 | |
| 319 | K | A | -2.1584 | |
| 320 | D | A | -1.8812 | |
| 321 | V | A | 0.3241 | |
| 322 | F | A | 0.0000 | |
| 323 | L | A | 0.0000 | |
| 324 | G | A | -0.0335 | |
| 325 | M | A | 0.3840 | |
| 326 | F | A | 0.0000 | |
| 327 | L | A | 0.0000 | |
| 328 | Y | A | 0.0000 | |
| 329 | E | A | -0.4104 | |
| 330 | L | A | 0.0000 | |
| 331 | A | A | 0.0000 | |
| 332 | R | A | -1.3045 | |
| 333 | R | A | -0.7972 | |
| 334 | H | A | -0.8639 | |
| 335 | P | A | -1.4594 | |
| 336 | D | A | -1.9476 | |
| 337 | L | A | -0.9782 | |
| 338 | S | A | 0.0000 | |
| 339 | V | A | 0.0000 | |
| 340 | V | A | 0.0000 | |
| 341 | E | A | -0.5826 | |
| 342 | L | A | 0.0000 | |
| 343 | L | A | 0.0000 | |
| 344 | R | A | -0.9986 | |
| 345 | A | A | 0.0000 | |
| 346 | A | A | -0.7123 | |
| 347 | D | A | -1.3444 | |
| 348 | T | A | -1.1060 | |
| 349 | Y | A | 0.0000 | |
| 350 | E | A | -1.8387 | |
| 351 | T | A | -1.5584 | |
| 352 | T | A | 0.0000 | |
| 353 | L | A | 0.0000 | |
| 354 | E | A | -2.5979 | |
| 355 | K | A | -2.5090 | |
| 356 | C | A | 0.0000 | |
| 357 | C | A | -1.2527 | |
| 358 | A | A | -0.9417 | |
| 359 | A | A | -1.2516 | |
| 360 | A | A | -0.9843 | |
| 361 | D | A | -2.2977 | |
| 362 | P | A | -2.0180 | |
| 363 | H | A | -2.6020 | |
| 364 | E | A | -2.8494 | |
| 365 | C | A | -1.7616 | |
| 366 | Y | A | 0.0000 | |
| 367 | A | A | -2.0769 | |
| 368 | K | A | -2.8427 | |
| 369 | V | A | 0.0000 | |
| 370 | D | A | -2.3711 | |
| 371 | Q | A | -3.0963 | |
| 372 | K | A | -2.8535 | |
| 373 | I | A | -1.9475 | |
| 374 | T | A | -1.7069 | |
| 375 | Q | A | -2.3782 | |
| 376 | N | A | -2.3616 | |
| 377 | A | A | -0.8967 | |
| 378 | I | A | -0.1180 | |
| 379 | D | A | -1.6970 | |
| 380 | G | A | -1.0985 | |
| 381 | L | A | -1.1852 | |
| 382 | T | A | -1.2303 | |
| 383 | N | A | -1.8122 | |
| 384 | K | A | -1.2647 | |
| 385 | V | A | -1.1290 | |
| 386 | N | A | -1.2731 | |
| 387 | S | A | -0.8356 | |
| 388 | C | A | 0.0000 | |
| 389 | I | A | 0.1805 | |
| 390 | E | A | -1.3526 | |
| 391 | K | A | -1.9247 | |
| 392 | E | A | -2.8235 | |
| 393 | E | A | -2.6759 | |
| 394 | L | A | -1.8403 | |
| 395 | G | A | -1.9256 | |
| 396 | E | A | -2.4239 | |
| 397 | Y | A | -1.0071 | |
| 398 | K | A | -1.4582 | |
| 399 | Y | A | 0.0000 | |
| 400 | T | A | 0.0000 | |
| 401 | N | A | 0.0000 | |
| 402 | K | A | -1.0861 | |
| 403 | L | A | -0.5260 | |
| 404 | L | A | 0.0000 | |
| 405 | V | A | 0.0000 | |
| 406 | K | A | -1.4956 | |
| 407 | Y | A | -0.7307 | |
| 408 | T | A | 0.0000 | |
| 409 | K | A | -1.0357 | |
| 410 | K | A | -1.0868 | |
| 411 | V | A | 0.0000 | |
| 412 | P | A | 0.0000 | |
| 413 | Q | A | -0.3614 | |
| 414 | V | A | 0.0000 | |
| 415 | S | A | -0.2453 | |
| 416 | T | A | 0.0000 | |
| 417 | P | A | -0.5657 | |
| 418 | T | A | -0.6329 | |
| 419 | L | A | 0.0000 | |
| 420 | V | A | 0.0000 | |
| 421 | E | A | -1.3958 | |
| 422 | V | A | 0.0000 | |
| 423 | S | A | 0.0000 | |
| 424 | R | A | -1.2279 | |
| 425 | N | A | -1.1330 | |
| 426 | L | A | 0.0000 | |
| 427 | G | A | 0.0000 | |
| 428 | K | A | -2.1451 | |
| 429 | V | A | 0.0000 | |
| 430 | G | A | -1.4963 | |
| 431 | S | A | -2.1076 | |
| 432 | K | A | -1.8330 | |
| 433 | C | A | 0.0000 | |
| 434 | C | A | -1.7038 | |
| 435 | K | A | -2.6405 | |
| 436 | H | A | -2.3328 | |
| 437 | P | A | -2.2976 | |
| 438 | E | A | -3.1833 | |
| 439 | K | A | -3.1709 | |
| 440 | E | A | -2.7313 | |
| 441 | I | A | 0.0000 | |
| 442 | P | A | 0.0000 | |
| 443 | K | A | -1.3586 | |
| 444 | C | A | -0.7963 | |
| 445 | A | A | 0.0000 | |
| 446 | D | A | 0.0000 | |
| 447 | D | A | -0.3448 | |
| 448 | Y | A | 0.0069 | |
| 449 | L | A | 0.3699 | |
| 450 | S | A | 0.1684 | |
| 451 | V | A | -0.0146 | |
| 452 | V | A | 0.0000 | |
| 453 | L | A | 0.0000 | |
| 454 | N | A | 0.0000 | |
| 455 | Q | A | -0.3101 | |
| 456 | L | A | 0.0000 | |
| 457 | C | A | 0.0000 | |
| 458 | V | A | -1.0628 | |
| 459 | L | A | -1.1561 | |
| 460 | H | A | 0.0000 | |
| 461 | E | A | -2.2979 | |
| 462 | K | A | -2.6111 | |
| 463 | T | A | -1.2464 | |
| 464 | P | A | -1.1545 | |
| 465 | V | A | -0.2641 | |
| 466 | S | A | 0.0000 | |
| 467 | D | A | -2.2749 | |
| 468 | R | A | -1.5757 | |
| 469 | V | A | 0.0000 | |
| 470 | T | A | -2.0408 | |
| 471 | K | A | -2.6460 | |
| 472 | C | A | 0.0000 | |
| 473 | C | A | 0.0000 | |
| 474 | T | A | -1.6750 | |
| 475 | E | A | -2.3647 | |
| 476 | S | A | -1.1982 | |
| 477 | L | A | -0.3558 | |
| 478 | V | A | -0.4546 | |
| 479 | N | A | -1.1025 | |
| 480 | R | A | 0.0000 | |
| 481 | V | A | -0.3570 | |
| 482 | P | A | -0.7495 | |
| 483 | C | A | -0.9592 | |
| 484 | F | A | 0.0000 | |
| 485 | D | A | -2.0972 | |
| 486 | A | A | -1.0456 | |
| 487 | L | A | -1.1934 | |
| 488 | E | A | -1.9629 | |
| 489 | V | A | -0.8077 | |
| 490 | D | A | 0.0000 | |
| 491 | E | A | -1.7743 | |
| 492 | T | A | -0.2884 | |
| 493 | Y | A | 0.3239 | |
| 494 | V | A | 0.9966 | |
| 495 | P | A | -0.2707 | |
| 496 | K | A | -1.2679 | |
| 497 | E | A | -1.8693 | |
| 498 | F | A | -1.0308 | |
| 499 | N | A | -1.3619 | |
| 500 | A | A | -1.2559 | |
| 501 | E | A | -1.8521 | |
| 502 | T | A | -0.8451 | |
| 503 | F | A | -0.5430 | |
| 504 | T | A | -1.0643 | |
| 505 | F | A | 0.0000 | |
| 506 | H | A | -1.6164 | |
| 507 | A | A | -1.7989 | |
| 508 | D | A | -2.0449 | |
| 509 | I | A | 0.0000 | |
| 510 | C | A | -1.3050 | |
| 511 | T | A | -0.7560 | |
| 512 | L | A | -1.2962 | |
| 513 | S | A | -1.7709 | |
| 514 | E | A | -3.0055 | |
| 515 | K | A | -3.1638 | |
| 516 | E | A | -2.4869 | |
| 517 | R | A | -2.3450 | |
| 518 | Q | A | -1.7123 | |
| 519 | I | A | -1.3158 | |
| 520 | K | A | -1.1727 | |
| 521 | K | A | -0.7976 | |
| 522 | Q | A | 0.0000 | |
| 523 | T | A | -0.3912 | |
| 524 | A | A | -0.0712 | |
| 525 | L | A | 0.0000 | |
| 526 | V | A | 0.0000 | |
| 527 | E | A | 0.0000 | |
| 528 | L | A | -0.0813 | |
| 529 | V | A | 0.0000 | |
| 530 | K | A | 0.0000 | |
| 531 | H | A | -0.9563 | |
| 532 | K | A | -1.0952 | |
| 533 | P | A | -1.0410 | |
| 534 | K | A | -2.2477 | |
| 535 | A | A | -1.6985 | |
| 536 | T | A | -2.0344 | |
| 537 | K | A | -2.9650 | |
| 538 | E | A | -2.6550 | |
| 539 | Q | A | -1.8386 | |
| 540 | L | A | 0.0000 | |
| 541 | F | A | -1.3966 | |
| 542 | A | A | -1.4645 | |
| 543 | V | A | -0.9720 | |
| 544 | M | A | -1.1467 | |
| 545 | D | A | -2.2337 | |
| 546 | D | A | -2.4426 | |
| 547 | F | A | -1.4304 | |
| 548 | A | A | -1.6571 | |
| 549 | A | A | -1.8651 | |
| 550 | F | A | 0.0000 | |
| 551 | V | A | 0.0000 | |
| 552 | E | A | -2.9007 | |
| 553 | K | A | -2.6899 | |
| 554 | C | A | 0.0000 | |
| 555 | C | A | -2.6894 | |
| 556 | K | A | -3.2109 | |
| 557 | A | A | -3.0239 | |
| 558 | D | A | -3.2021 | |
| 559 | D | A | -3.2215 | |
| 560 | K | A | -3.1668 | |
| 561 | E | A | -2.7318 | |
| 562 | T | A | -2.0418 | |
| 563 | C | A | -2.4884 | |
| 564 | F | A | 0.0000 | |
| 565 | A | A | -2.1211 | |
| 566 | E | A | -3.0643 | |
| 567 | E | A | -2.4815 | |
| 568 | G | A | -2.0632 | |
| 569 | K | A | -3.0329 | |
| 570 | K | A | -2.9823 | |
| 571 | L | A | -1.7438 | |
| 572 | V | A | -0.8914 | |
| 573 | A | A | -1.0703 | |
| 574 | A | A | -0.8845 | |
| 575 | S | A | -0.7810 | |
| 576 | Q | A | -0.7019 | |
| 577 | A | A | -0.2352 | |
| 578 | A | A | -0.2159 |
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 | -0.842 | 1.8239 | View | CSV | PDB |
| 4.5 | -0.9611 | 1.6436 | View | CSV | PDB |
| 5.0 | -1.1098 | 1.4114 | View | CSV | PDB |
| 5.5 | -1.2615 | 1.3234 | View | CSV | PDB |
| 6.0 | -1.3875 | 1.2459 | View | CSV | PDB |
| 6.5 | -1.4662 | 1.1825 | View | CSV | PDB |
| 7.0 | -1.4938 | 1.1429 | View | CSV | PDB |
| 7.5 | -1.4835 | 1.1742 | View | CSV | PDB |
| 8.0 | -1.4507 | 1.3092 | View | CSV | PDB |
| 8.5 | -1.4021 | 1.4517 | View | CSV | PDB |
| 9.0 | -1.3377 | 1.5934 | 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