| Chain sequence(s) |
A: MDNNLSGEDNDNIDWDTEDELEIQEIQDTTFSSCMDLRTTGQHTVRCDGEASSSSVPCQSKFIQQFVVMGFPEASIAKAIEQNGEDSDLVLDALLTFKALEDSPEEQPSASPQPCINSDDSSSEYNENLLDDVYEEDSWSSDSDSCRNSAKQCYVKVESSSSSEKEQTLLFLASMGYPAEEASIAMERCGPEASVAELTDFICAAQMARAEDVYLPEDVKPKLNHILNGSGGYKKRKMYNELCKRKKAKAIFEEETIRLPKPMIGFGVPTEPLPAMVRRTLPEQAVGPPFFYYENVALAPKGVWDTISRFLYDIEPEFVDSKYFCAAARKRGYIHNLPVENRFPLFPLAPRTIHEALPLSKKWWPSWDPRTKLNCLQTAIGSAQLTNRIRKAVEDFDGEPPMRVQKFVLDQCRKWNLVWVGRNKVAPLEPDEVEMLLGFPKNHTRGGGISRTDRYKSLGNSFQVDTVAYHLSVLKDLFPGGINVLSLFSGIGGGEVALYRLGIPLNTVVSVEKSEVNRDIVRSWWEQTNQRGNLIHFNDVQQLNGDRLEQLIESFGGFDLVIGGSPCNNLAGSNRVSRDGLEGKESSLFYDYVRILDLVKSIMSRHKH
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 (00:08:31)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/b163900a81ef73d/tmp/folded.pdb (00:08:31)
[INFO] Main: Simulation completed successfully. (00:11:10)
|
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 | -0.1188 | |
| 2 | D | A | -2.0442 | |
| 3 | N | A | -2.2045 | |
| 4 | N | A | -1.6967 | |
| 5 | L | A | 0.0246 | |
| 6 | S | A | -0.8739 | |
| 7 | G | A | -1.9270 | |
| 8 | E | A | -3.3891 | |
| 9 | D | A | -4.1181 | |
| 10 | N | A | -3.6834 | |
| 11 | D | A | -3.3099 | |
| 12 | N | A | -1.9394 | |
| 13 | I | A | 0.3847 | |
| 14 | D | A | -0.7837 | |
| 15 | W | A | -0.1051 | |
| 16 | D | A | -1.3551 | |
| 17 | T | A | -0.9335 | |
| 18 | E | A | -1.6026 | |
| 19 | D | A | -1.3420 | |
| 20 | E | A | -1.3912 | |
| 21 | L | A | -0.2308 | |
| 22 | E | A | -1.3776 | |
| 23 | I | A | -0.8960 | |
| 24 | Q | A | -1.7504 | |
| 25 | E | A | -2.3834 | |
| 26 | I | A | -1.0294 | |
| 27 | Q | A | -2.1552 | |
| 28 | D | A | -2.4999 | |
| 29 | T | A | -0.8534 | |
| 30 | T | A | 0.1754 | |
| 31 | F | A | 1.4833 | |
| 32 | S | A | 0.7655 | |
| 33 | S | A | 0.7471 | |
| 34 | C | A | 0.9318 | |
| 35 | M | A | 0.6164 | |
| 36 | D | A | -0.7813 | |
| 37 | L | A | -0.0839 | |
| 38 | R | A | -1.5061 | |
| 39 | T | A | -0.9579 | |
| 40 | T | A | -1.0145 | |
| 41 | G | A | -1.3127 | |
| 42 | Q | A | -1.9453 | |
| 43 | H | A | -1.3177 | |
| 44 | T | A | -0.3829 | |
| 45 | V | A | 0.7772 | |
| 46 | R | A | -1.0290 | |
| 47 | C | A | -0.7617 | |
| 48 | D | A | -2.4570 | |
| 49 | G | A | -2.2398 | |
| 50 | E | A | -2.5054 | |
| 51 | A | A | -1.0727 | |
| 52 | S | A | -0.6897 | |
| 53 | S | A | -0.2743 | |
| 54 | S | A | -0.0826 | |
| 55 | S | A | 0.5444 | |
| 56 | V | A | 1.5515 | |
| 57 | P | A | 0.5503 | |
| 58 | C | A | 0.1480 | |
| 59 | Q | A | -1.1720 | |
| 60 | S | A | -1.5658 | |
| 61 | K | A | -2.1185 | |
| 62 | F | A | -1.5782 | |
| 63 | I | A | -1.1505 | |
| 64 | Q | A | -1.1709 | |
| 65 | Q | A | -0.5864 | |
| 66 | F | A | 0.0000 | |
| 67 | V | A | 0.5953 | |
| 68 | V | A | 1.7326 | |
| 69 | M | A | 1.1125 | |
| 70 | G | A | 0.2029 | |
| 71 | F | A | -0.0175 | |
| 72 | P | A | -0.6956 | |
| 73 | E | A | -2.0637 | |
| 74 | A | A | -1.3005 | |
| 75 | S | A | -1.2567 | |
| 76 | I | A | 0.0000 | |
| 77 | A | A | -1.9773 | |
| 78 | K | A | -2.7659 | |
| 79 | A | A | 0.0000 | |
| 80 | I | A | -2.1875 | |
| 81 | E | A | -3.2245 | |
| 82 | Q | A | -2.6453 | |
| 83 | N | A | -2.4096 | |
| 84 | G | A | -2.4351 | |
| 85 | E | A | -3.0208 | |
| 86 | D | A | -2.6390 | |
| 87 | S | A | -2.1425 | |
| 88 | D | A | -2.4305 | |
| 89 | L | A | -1.2099 | |
| 90 | V | A | 0.0000 | |
| 91 | L | A | -0.5651 | |
| 92 | D | A | -1.3928 | |
| 93 | A | A | -0.7354 | |
| 94 | L | A | 0.0000 | |
| 95 | L | A | 0.6740 | |
| 96 | T | A | 0.0035 | |
| 97 | F | A | -0.2432 | |
| 98 | K | A | -1.3395 | |
| 99 | A | A | -0.5126 | |
| 100 | L | A | -0.2077 | |
| 101 | E | A | -2.4700 | |
| 102 | D | A | -2.8056 | |
| 103 | S | A | -2.0341 | |
| 104 | P | A | -2.3818 | |
| 105 | E | A | -3.5665 | |
| 106 | E | A | -3.4284 | |
| 107 | Q | A | -2.7879 | |
| 108 | P | A | -1.5695 | |
| 109 | S | A | -0.5862 | |
| 110 | A | A | -0.2635 | |
| 111 | S | A | -0.6972 | |
| 112 | P | A | -0.9997 | |
| 113 | Q | A | -1.1291 | |
| 114 | P | A | -0.2430 | |
| 115 | C | A | 1.0875 | |
| 116 | I | A | 1.5352 | |
| 117 | N | A | -0.6579 | |
| 118 | S | A | -1.7322 | |
| 119 | D | A | -3.2162 | |
| 120 | D | A | -2.9823 | |
| 121 | S | A | -1.6139 | |
| 122 | S | A | -1.1817 | |
| 123 | S | A | -0.9903 | |
| 124 | E | A | -1.6071 | |
| 125 | Y | A | -0.6874 | |
| 126 | N | A | -2.2430 | |
| 127 | E | A | -2.5123 | |
| 128 | N | A | -1.2131 | |
| 129 | L | A | 0.8138 | |
| 130 | L | A | 0.7590 | |
| 131 | D | A | -0.8572 | |
| 132 | D | A | -1.3061 | |
| 133 | V | A | 0.6151 | |
| 134 | Y | A | 0.0508 | |
| 135 | E | A | -2.2542 | |
| 136 | E | A | -2.9837 | |
| 137 | D | A | -2.8391 | |
| 138 | S | A | -1.2113 | |
| 139 | W | A | 0.3419 | |
| 140 | S | A | -0.4331 | |
| 141 | S | A | -1.1535 | |
| 142 | D | A | -2.4086 | |
| 143 | S | A | -2.0740 | |
| 144 | D | A | -2.1878 | |
| 145 | S | A | -1.2278 | |
| 146 | C | A | -0.9396 | |
| 147 | R | A | -2.2410 | |
| 148 | N | A | -2.1431 | |
| 149 | S | A | -1.6143 | |
| 150 | A | A | -1.3383 | |
| 151 | K | A | -2.1679 | |
| 152 | Q | A | -1.1695 | |
| 153 | C | A | 0.7052 | |
| 154 | Y | A | 2.0113 | |
| 155 | V | A | 1.9076 | |
| 156 | K | A | -0.0122 | |
| 157 | V | A | 0.5797 | |
| 158 | E | A | -1.3460 | |
| 159 | S | A | -0.8943 | |
| 160 | S | A | -0.6566 | |
| 161 | S | A | -0.9598 | |
| 162 | S | A | -1.5466 | |
| 163 | S | A | -2.4924 | |
| 164 | E | A | -3.6365 | |
| 165 | K | A | -3.5187 | |
| 166 | E | A | -3.1165 | |
| 167 | Q | A | -2.2582 | |
| 168 | T | A | -0.9944 | |
| 169 | L | A | -0.3747 | |
| 170 | L | A | 1.0845 | |
| 171 | F | A | 1.4511 | |
| 172 | L | A | 0.0000 | |
| 173 | A | A | 0.6167 | |
| 174 | S | A | 0.7883 | |
| 175 | M | A | 0.7464 | |
| 176 | G | A | 0.0852 | |
| 177 | Y | A | 0.0650 | |
| 178 | P | A | -0.7833 | |
| 179 | A | A | -0.4576 | |
| 180 | E | A | -1.6609 | |
| 181 | E | A | -0.9507 | |
| 182 | A | A | 0.0000 | |
| 183 | S | A | -1.2409 | |
| 184 | I | A | -0.3081 | |
| 185 | A | A | 0.0000 | |
| 186 | M | A | -1.7024 | |
| 187 | E | A | -2.2609 | |
| 188 | R | A | -2.1898 | |
| 189 | C | A | -1.5648 | |
| 190 | G | A | -1.7296 | |
| 191 | P | A | -2.1579 | |
| 192 | E | A | -2.0360 | |
| 193 | A | A | -1.6933 | |
| 194 | S | A | -0.8953 | |
| 195 | V | A | -0.2246 | |
| 196 | A | A | -0.9920 | |
| 197 | E | A | -2.0262 | |
| 198 | L | A | 0.0000 | |
| 199 | T | A | -0.9761 | |
| 200 | D | A | -1.9743 | |
| 201 | F | A | -0.5990 | |
| 202 | I | A | 0.0000 | |
| 203 | C | A | -0.4415 | |
| 204 | A | A | -0.1205 | |
| 205 | A | A | -0.2346 | |
| 206 | Q | A | -0.8618 | |
| 207 | M | A | -0.2664 | |
| 208 | A | A | -1.2238 | |
| 209 | R | A | -2.1803 | |
| 210 | A | A | -1.1724 | |
| 211 | E | A | -1.7879 | |
| 212 | D | A | -1.4545 | |
| 213 | V | A | 0.8026 | |
| 214 | Y | A | 1.3661 | |
| 215 | L | A | 1.3030 | |
| 216 | P | A | -0.3943 | |
| 217 | E | A | -1.9234 | |
| 218 | D | A | -2.1489 | |
| 219 | V | A | -0.5208 | |
| 220 | K | A | -2.1120 | |
| 221 | P | A | -1.4010 | |
| 222 | K | A | -1.8237 | |
| 223 | L | A | -0.1102 | |
| 224 | N | A | -0.8610 | |
| 225 | H | A | -0.1093 | |
| 226 | I | A | 1.7795 | |
| 227 | L | A | 1.4009 | |
| 228 | N | A | -0.3815 | |
| 229 | G | A | -0.7179 | |
| 230 | S | A | -0.9737 | |
| 231 | G | A | -1.2485 | |
| 232 | G | A | -1.6495 | |
| 233 | Y | A | -1.2560 | |
| 234 | K | A | -2.8669 | |
| 235 | K | A | -3.3467 | |
| 236 | R | A | -3.3751 | |
| 237 | K | A | -3.1304 | |
| 238 | M | A | -1.3585 | |
| 239 | Y | A | -1.1233 | |
| 240 | N | A | -2.6854 | |
| 241 | E | A | -3.0720 | |
| 242 | L | A | -1.8984 | |
| 243 | C | A | -2.6484 | |
| 244 | K | A | -4.1314 | |
| 245 | R | A | -4.2982 | |
| 246 | K | A | -4.0960 | |
| 247 | K | A | -3.4486 | |
| 248 | A | A | -2.0423 | |
| 249 | K | A | -2.4490 | |
| 250 | A | A | -1.3673 | |
| 251 | I | A | 0.6089 | |
| 252 | F | A | 0.4478 | |
| 253 | E | A | -1.8740 | |
| 254 | E | A | -2.6699 | |
| 255 | E | A | -3.1724 | |
| 256 | T | A | -2.1100 | |
| 257 | I | A | -1.3867 | |
| 258 | R | A | -1.9567 | |
| 259 | L | A | -0.9664 | |
| 260 | P | A | -1.2611 | |
| 261 | K | A | -2.1685 | |
| 262 | P | A | -1.2982 | |
| 263 | M | A | 0.0000 | |
| 264 | I | A | -0.1548 | |
| 265 | G | A | -0.1080 | |
| 266 | F | A | 0.0000 | |
| 267 | G | A | 0.0000 | |
| 268 | V | A | 0.0000 | |
| 269 | P | A | -0.1157 | |
| 270 | T | A | -0.4121 | |
| 271 | E | A | -0.7949 | |
| 272 | P | A | -0.2283 | |
| 273 | L | A | 0.8415 | |
| 274 | P | A | 0.3349 | |
| 275 | A | A | 0.2281 | |
| 276 | M | A | -0.0380 | |
| 277 | V | A | -0.3345 | |
| 278 | R | A | -1.7724 | |
| 279 | R | A | -1.2062 | |
| 280 | T | A | -0.5202 | |
| 281 | L | A | -0.6833 | |
| 282 | P | A | -1.0569 | |
| 283 | E | A | -1.7767 | |
| 284 | Q | A | -1.5215 | |
| 285 | A | A | 0.0000 | |
| 286 | V | A | 0.7870 | |
| 287 | G | A | 0.0985 | |
| 288 | P | A | 0.0184 | |
| 289 | P | A | 0.0000 | |
| 290 | F | A | 0.2943 | |
| 291 | F | A | 0.0000 | |
| 292 | Y | A | 0.0000 | |
| 293 | Y | A | 0.0000 | |
| 294 | E | A | 0.0000 | |
| 295 | N | A | 0.0000 | |
| 296 | V | A | 0.0000 | |
| 297 | A | A | 0.0000 | |
| 298 | L | A | 0.1633 | |
| 299 | A | A | 0.0000 | |
| 300 | P | A | -1.2196 | |
| 301 | K | A | -2.3479 | |
| 302 | G | A | -1.5739 | |
| 303 | V | A | 0.0000 | |
| 304 | W | A | 0.0000 | |
| 305 | D | A | -2.9468 | |
| 306 | T | A | -1.7191 | |
| 307 | I | A | 0.0000 | |
| 308 | S | A | -2.3091 | |
| 309 | R | A | -2.7305 | |
| 310 | F | A | -0.4059 | |
| 311 | L | A | 0.0000 | |
| 312 | Y | A | -1.3991 | |
| 313 | D | A | -2.9101 | |
| 314 | I | A | 0.0000 | |
| 315 | E | A | -2.6739 | |
| 316 | P | A | -1.3079 | |
| 317 | E | A | 0.0000 | |
| 318 | F | A | -0.3161 | |
| 319 | V | A | 0.0000 | |
| 320 | D | A | 0.0000 | |
| 321 | S | A | 0.0000 | |
| 322 | K | A | 0.0000 | |
| 323 | Y | A | -0.0604 | |
| 324 | F | A | 0.0000 | |
| 325 | C | A | 0.0000 | |
| 326 | A | A | 0.0000 | |
| 327 | A | A | 0.0000 | |
| 328 | A | A | 0.0000 | |
| 329 | R | A | 0.0000 | |
| 330 | K | A | -0.1864 | |
| 331 | R | A | -0.1549 | |
| 332 | G | A | 0.0000 | |
| 333 | Y | A | 0.0000 | |
| 334 | I | A | 0.0000 | |
| 335 | H | A | 0.0000 | |
| 336 | N | A | 0.0000 | |
| 337 | L | A | 0.0000 | |
| 338 | P | A | -0.7805 | |
| 339 | V | A | -0.9621 | |
| 340 | E | A | -1.7849 | |
| 341 | N | A | -1.9257 | |
| 342 | R | A | -0.9213 | |
| 343 | F | A | 0.2506 | |
| 344 | P | A | 0.8208 | |
| 345 | L | A | 0.0000 | |
| 346 | F | A | 2.1495 | |
| 347 | P | A | 1.3396 | |
| 348 | L | A | 1.5135 | |
| 349 | A | A | 0.4034 | |
| 350 | P | A | -0.7160 | |
| 351 | R | A | -0.8689 | |
| 352 | T | A | -1.0780 | |
| 353 | I | A | 0.0000 | |
| 354 | H | A | -1.7737 | |
| 355 | E | A | -2.2119 | |
| 356 | A | A | -1.0053 | |
| 357 | L | A | 0.0000 | |
| 358 | P | A | -0.9512 | |
| 359 | L | A | 0.4881 | |
| 360 | S | A | 0.0000 | |
| 361 | K | A | -2.0466 | |
| 362 | K | A | -1.9310 | |
| 363 | W | A | -0.7752 | |
| 364 | W | A | -0.7010 | |
| 365 | P | A | -0.9175 | |
| 366 | S | A | -0.4237 | |
| 367 | W | A | -0.4314 | |
| 368 | D | A | 0.0000 | |
| 369 | P | A | -0.3493 | |
| 370 | R | A | 0.0000 | |
| 371 | T | A | -0.6384 | |
| 372 | K | A | -0.3408 | |
| 373 | L | A | 0.0000 | |
| 374 | N | A | -0.7250 | |
| 375 | C | A | -0.3767 | |
| 376 | L | A | 0.0000 | |
| 377 | Q | A | -0.8819 | |
| 378 | T | A | -1.1704 | |
| 379 | A | A | -0.1628 | |
| 380 | I | A | 0.3147 | |
| 381 | G | A | 0.0000 | |
| 382 | S | A | -0.5581 | |
| 383 | A | A | -0.9843 | |
| 384 | Q | A | -2.0001 | |
| 385 | L | A | -1.3882 | |
| 386 | T | A | 0.0000 | |
| 387 | N | A | -3.0180 | |
| 388 | R | A | -3.0482 | |
| 389 | I | A | 0.0000 | |
| 390 | R | A | -3.2908 | |
| 391 | K | A | -3.4931 | |
| 392 | A | A | -2.1080 | |
| 393 | V | A | 0.0000 | |
| 394 | E | A | -3.3241 | |
| 395 | D | A | -2.9383 | |
| 396 | F | A | -2.3683 | |
| 397 | D | A | -2.7784 | |
| 398 | G | A | -2.4132 | |
| 399 | E | A | -2.2155 | |
| 400 | P | A | 0.0000 | |
| 401 | P | A | -0.8121 | |
| 402 | M | A | -0.5234 | |
| 403 | R | A | -1.8001 | |
| 404 | V | A | 0.0000 | |
| 405 | Q | A | -1.2708 | |
| 406 | K | A | -1.8474 | |
| 407 | F | A | -0.8801 | |
| 408 | V | A | 0.0000 | |
| 409 | L | A | 0.0000 | |
| 410 | D | A | -1.5120 | |
| 411 | Q | A | -0.9486 | |
| 412 | C | A | 0.0000 | |
| 413 | R | A | -1.3532 | |
| 414 | K | A | -1.6542 | |
| 415 | W | A | -0.3734 | |
| 416 | N | A | 0.0000 | |
| 417 | L | A | 0.0000 | |
| 418 | V | A | 0.0000 | |
| 419 | W | A | 0.0000 | |
| 420 | V | A | 0.3321 | |
| 421 | G | A | -0.7796 | |
| 422 | R | A | -2.1074 | |
| 423 | N | A | 0.0000 | |
| 424 | K | A | -1.5124 | |
| 425 | V | A | 0.0000 | |
| 426 | A | A | -0.1555 | |
| 427 | P | A | -0.0682 | |
| 428 | L | A | 0.0000 | |
| 429 | E | A | -2.0151 | |
| 430 | P | A | 0.0000 | |
| 431 | D | A | -2.4369 | |
| 432 | E | A | -1.5405 | |
| 433 | V | A | 0.0000 | |
| 434 | E | A | 0.0000 | |
| 435 | M | A | -0.7263 | |
| 436 | L | A | 0.0000 | |
| 437 | L | A | 0.0000 | |
| 438 | G | A | -0.1862 | |
| 439 | F | A | 0.0000 | |
| 440 | P | A | -1.2572 | |
| 441 | K | A | -2.6297 | |
| 442 | N | A | -2.6103 | |
| 443 | H | A | 0.0000 | |
| 444 | T | A | 0.0000 | |
| 445 | R | A | -3.0962 | |
| 446 | G | A | -1.8871 | |
| 447 | G | A | -1.3514 | |
| 448 | G | A | -1.2014 | |
| 449 | I | A | -1.2897 | |
| 450 | S | A | -1.6668 | |
| 451 | R | A | -2.6292 | |
| 452 | T | A | -1.5451 | |
| 453 | D | A | -1.8608 | |
| 454 | R | A | -1.9834 | |
| 455 | Y | A | 0.0000 | |
| 456 | K | A | -2.2180 | |
| 457 | S | A | -1.3272 | |
| 458 | L | A | 0.0000 | |
| 459 | G | A | 0.0000 | |
| 460 | N | A | -1.5905 | |
| 461 | S | A | 0.0000 | |
| 462 | F | A | -0.0595 | |
| 463 | Q | A | 0.0000 | |
| 464 | V | A | 0.0000 | |
| 465 | D | A | 0.0000 | |
| 466 | T | A | 0.0000 | |
| 467 | V | A | 0.0000 | |
| 468 | A | A | 0.0000 | |
| 469 | Y | A | 0.0000 | |
| 470 | H | A | 0.0000 | |
| 471 | L | A | 0.0000 | |
| 472 | S | A | 0.0000 | |
| 473 | V | A | 0.0000 | |
| 474 | L | A | 0.0000 | |
| 475 | K | A | -1.4640 | |
| 476 | D | A | -1.8101 | |
| 477 | L | A | 0.0303 | |
| 478 | F | A | -0.3367 | |
| 479 | P | A | -0.8691 | |
| 480 | G | A | -0.7394 | |
| 481 | G | A | -0.7007 | |
| 482 | I | A | 0.0000 | |
| 483 | N | A | -0.3607 | |
| 484 | V | A | 0.0000 | |
| 485 | L | A | 0.0000 | |
| 486 | S | A | 0.0000 | |
| 487 | L | A | 0.0000 | |
| 488 | F | A | -0.3590 | |
| 489 | S | A | -0.1863 | |
| 490 | G | A | -0.6176 | |
| 491 | I | A | 0.0000 | |
| 492 | G | A | 0.0000 | |
| 493 | G | A | 0.0000 | |
| 494 | G | A | 0.0000 | |
| 495 | E | A | 0.0000 | |
| 496 | V | A | 0.0000 | |
| 497 | A | A | 0.0000 | |
| 498 | L | A | 0.0000 | |
| 499 | Y | A | 0.1792 | |
| 500 | R | A | -0.1226 | |
| 501 | L | A | 0.0000 | |
| 502 | G | A | -0.6151 | |
| 503 | I | A | 0.0000 | |
| 504 | P | A | -0.7740 | |
| 505 | L | A | 0.0000 | |
| 506 | N | A | -0.9590 | |
| 507 | T | A | 0.0000 | |
| 508 | V | A | 0.0000 | |
| 509 | V | A | 0.0000 | |
| 510 | S | A | 0.0000 | |
| 511 | V | A | 0.0000 | |
| 512 | E | A | 0.0000 | |
| 513 | K | A | -2.7196 | |
| 514 | S | A | -2.0382 | |
| 515 | E | A | -2.4934 | |
| 516 | V | A | -1.4615 | |
| 517 | N | A | 0.0000 | |
| 518 | R | A | 0.0000 | |
| 519 | D | A | -2.2397 | |
| 520 | I | A | 0.0000 | |
| 521 | V | A | 0.0000 | |
| 522 | R | A | -2.7697 | |
| 523 | S | A | -2.7090 | |
| 524 | W | A | 0.0000 | |
| 525 | W | A | 0.0000 | |
| 526 | E | A | -3.6317 | |
| 527 | Q | A | -2.8382 | |
| 528 | T | A | -2.1941 | |
| 529 | N | A | -2.9253 | |
| 530 | Q | A | -2.5116 | |
| 531 | R | A | -2.7668 | |
| 532 | G | A | -1.6839 | |
| 533 | N | A | -1.1168 | |
| 534 | L | A | -0.8283 | |
| 535 | I | A | 0.0625 | |
| 536 | H | A | -0.7768 | |
| 537 | F | A | -1.1175 | |
| 538 | N | A | -2.6465 | |
| 539 | D | A | -2.3990 | |
| 540 | V | A | 0.0000 | |
| 541 | Q | A | -2.1742 | |
| 542 | Q | A | -2.5477 | |
| 543 | L | A | 0.0000 | |
| 544 | N | A | -2.6028 | |
| 545 | G | A | -2.3454 | |
| 546 | D | A | -3.5113 | |
| 547 | R | A | -3.7697 | |
| 548 | L | A | 0.0000 | |
| 549 | E | A | -3.3215 | |
| 550 | Q | A | -3.1756 | |
| 551 | L | A | -1.8120 | |
| 552 | I | A | 0.0000 | |
| 553 | E | A | -2.6277 | |
| 554 | S | A | -1.1202 | |
| 555 | F | A | -0.1146 | |
| 556 | G | A | -0.8205 | |
| 557 | G | A | -0.7798 | |
| 558 | F | A | 0.0000 | |
| 559 | D | A | -0.4064 | |
| 560 | L | A | 0.0000 | |
| 561 | V | A | 0.0000 | |
| 562 | I | A | 0.0000 | |
| 563 | G | A | 0.0000 | |
| 564 | G | A | 0.0000 | |
| 565 | S | A | -0.2492 | |
| 566 | P | A | -0.4962 | |
| 567 | C | A | 0.0000 | |
| 568 | N | A | -1.6035 | |
| 569 | N | A | -2.0528 | |
| 570 | L | A | -1.3768 | |
| 571 | A | A | -1.2458 | |
| 572 | G | A | -1.3337 | |
| 573 | S | A | -1.3500 | |
| 574 | N | A | -2.2859 | |
| 575 | R | A | -2.1817 | |
| 576 | V | A | -0.3215 | |
| 577 | S | A | -1.9068 | |
| 578 | R | A | -3.3342 | |
| 579 | D | A | -3.3310 | |
| 580 | G | A | -2.4975 | |
| 581 | L | A | -1.6647 | |
| 582 | E | A | -3.0022 | |
| 583 | G | A | -2.8151 | |
| 584 | K | A | -2.5412 | |
| 585 | E | A | -1.7162 | |
| 586 | S | A | 0.0000 | |
| 587 | S | A | -0.7656 | |
| 588 | L | A | -0.1989 | |
| 589 | F | A | 0.0000 | |
| 590 | Y | A | 0.6895 | |
| 591 | D | A | 0.0000 | |
| 592 | Y | A | 0.0000 | |
| 593 | V | A | 0.0000 | |
| 594 | R | A | -0.5925 | |
| 595 | I | A | 0.0000 | |
| 596 | L | A | 0.0000 | |
| 597 | D | A | -1.0716 | |
| 598 | L | A | -0.7898 | |
| 599 | V | A | 0.0000 | |
| 600 | K | A | -0.9854 | |
| 601 | S | A | -1.0741 | |
| 602 | I | A | 0.0000 | |
| 603 | M | A | 0.0000 | |
| 604 | S | A | -2.1162 | |
| 605 | R | A | -3.1644 | |
| 606 | H | A | -3.2172 | |
| 607 | K | A | -3.1710 | |
| 608 | H | A | -2.6080 |
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 | -0.5955 | 5.7699 | View | CSV | PDB |
| 4.5 | -0.695 | 5.7699 | View | CSV | PDB |
| 5.0 | -0.8212 | 5.7699 | View | CSV | PDB |
| 5.5 | -0.9517 | 5.7699 | View | CSV | PDB |
| 6.0 | -1.0638 | 5.7699 | View | CSV | PDB |
| 6.5 | -1.1406 | 5.7699 | View | CSV | PDB |
| 7.0 | -1.1787 | 5.7699 | View | CSV | PDB |
| 7.5 | -1.1887 | 5.7699 | View | CSV | PDB |
| 8.0 | -1.1824 | 5.7699 | View | CSV | PDB |
| 8.5 | -1.1645 | 5.7699 | View | CSV | PDB |
| 9.0 | -1.1333 | 5.7699 | 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