| Chain sequence(s) |
A: MGSSHHHHHHSSGLVPRGSHMEFKRSMKIVLVLYDAGKHAADEEKLYGCTENKLGIANWLKDQGHELITTSDKEGGNSVLDQHIPDADIIITTPFHPAYITKERIDKAKKLKLVVVAGVGSDHIDLDYINQTGKKISVLEVTGSNVVSVAEHVLMTMLVLVRNFVPAHEQIINHDWEVAAIAKDAYDIEGKTIATIGAGRIGYRVLERLVPFNPKELLYYDYQALPKDAEEKVGARRVENIEELVAQADIVTINAPLHAGTKGLINKELLSKFKKGAWLVNTARGAICVAEDVAAALESGQLRGYGGDVWFPQPAPKDHPWRDMRNKYGAGNAMTPHYSGTTLDAQTRYAEGTKNILESFFTGKFDYRPQDIILLNGEYITKAYGKHDKKGSGGGGSASMSAEAMNMNMNQDAVFIPPPEGEQYERKEKQEIQQTSYLQSQVKVPLVNLPAPFFSTSFSAQEILGEGFQASISRISAVSEELSSIEIPELAEEARRDFAAKTREQEMLSANYQKEVERKTEAYRKQQEVEADKIRKELEKQHLRDVEFRKDIVEMAIENQKKMIDVESRYAKKDMDRERVKVRMMLEQQKFHSDIQVNLDSSAAGTETGGQVVSESQKFTERNRQIKQ
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 partially or entirely disordered. Average score is
recommended for pH analysis. (00:00:03)
[INFO] FoldX: Starting FoldX energy minimization (00:00:03)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:12:26)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/6e41e755a3e78d4/tmp/folded.pdb (00:12:26)
[INFO] Main: Simulation completed successfully. (00:15:48)
|
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 | 0.7574 | |
| 2 | G | A | -0.2204 | |
| 3 | S | A | -0.6683 | |
| 4 | S | A | -1.1608 | |
| 5 | H | A | -2.0614 | |
| 6 | H | A | -2.4010 | |
| 7 | H | A | -2.6275 | |
| 8 | H | A | -2.6224 | |
| 9 | H | A | -2.4193 | |
| 10 | H | A | -2.0915 | |
| 11 | S | A | -1.1334 | |
| 12 | S | A | -0.2896 | |
| 13 | G | A | 0.4612 | |
| 14 | L | A | 1.7560 | |
| 15 | V | A | 1.6671 | |
| 16 | P | A | -0.0935 | |
| 17 | R | A | -1.6421 | |
| 18 | G | A | -1.4799 | |
| 19 | S | A | -1.3558 | |
| 20 | H | A | -1.2429 | |
| 21 | M | A | -0.1187 | |
| 22 | E | A | -1.4427 | |
| 23 | F | A | -0.1264 | |
| 24 | K | A | -2.0455 | |
| 25 | R | A | -2.4627 | |
| 26 | S | A | -1.8417 | |
| 27 | M | A | -1.6086 | |
| 28 | K | A | -1.5080 | |
| 29 | I | A | 0.0000 | |
| 30 | V | A | 0.0000 | |
| 31 | L | A | 0.0000 | |
| 32 | V | A | 0.0000 | |
| 33 | L | A | 0.0000 | |
| 34 | Y | A | -1.0833 | |
| 35 | D | A | -2.5252 | |
| 36 | A | A | -2.1887 | |
| 37 | G | A | -2.4293 | |
| 38 | K | A | -3.1055 | |
| 39 | H | A | -3.1987 | |
| 40 | A | A | -2.8199 | |
| 41 | A | A | -2.4891 | |
| 42 | D | A | -3.2979 | |
| 43 | E | A | -2.9343 | |
| 44 | E | A | -3.1347 | |
| 45 | K | A | -2.4319 | |
| 46 | L | A | -1.6314 | |
| 47 | Y | A | -0.7304 | |
| 48 | G | A | 0.0000 | |
| 49 | C | A | 0.0000 | |
| 50 | T | A | -1.0728 | |
| 51 | E | A | -1.8433 | |
| 52 | N | A | -1.5630 | |
| 53 | K | A | -0.8697 | |
| 54 | L | A | 0.0000 | |
| 55 | G | A | -1.5375 | |
| 56 | I | A | 0.0000 | |
| 57 | A | A | -1.6922 | |
| 58 | N | A | -2.4746 | |
| 59 | W | A | -1.9214 | |
| 60 | L | A | 0.0000 | |
| 61 | K | A | -3.5389 | |
| 62 | D | A | -3.2049 | |
| 63 | Q | A | -2.8652 | |
| 64 | G | A | -2.5659 | |
| 65 | H | A | 0.0000 | |
| 66 | E | A | -2.0303 | |
| 67 | L | A | -1.0062 | |
| 68 | I | A | -0.0198 | |
| 69 | T | A | -0.2764 | |
| 70 | T | A | 0.0000 | |
| 71 | S | A | -1.2014 | |
| 72 | D | A | -1.9413 | |
| 73 | K | A | 0.0000 | |
| 74 | E | A | -2.5784 | |
| 75 | G | A | -2.0658 | |
| 76 | G | A | -1.8429 | |
| 77 | N | A | -2.2576 | |
| 78 | S | A | 0.0000 | |
| 79 | V | A | -0.9451 | |
| 80 | L | A | 0.0000 | |
| 81 | D | A | 0.0000 | |
| 82 | Q | A | -1.6851 | |
| 83 | H | A | -1.0744 | |
| 84 | I | A | 0.0000 | |
| 85 | P | A | -2.0896 | |
| 86 | D | A | -2.5024 | |
| 87 | A | A | 0.0000 | |
| 88 | D | A | -1.6358 | |
| 89 | I | A | 0.0000 | |
| 90 | I | A | 0.0000 | |
| 91 | I | A | 0.0000 | |
| 92 | T | A | 0.0000 | |
| 93 | T | A | 0.0000 | |
| 94 | P | A | 0.0000 | |
| 95 | F | A | 0.0000 | |
| 96 | H | A | -0.3733 | |
| 97 | P | A | 0.0000 | |
| 98 | A | A | 0.0000 | |
| 99 | Y | A | -0.4233 | |
| 100 | I | A | 0.0000 | |
| 101 | T | A | -1.4581 | |
| 102 | K | A | -2.5924 | |
| 103 | E | A | -2.8901 | |
| 104 | R | A | -2.1112 | |
| 105 | I | A | 0.0000 | |
| 106 | D | A | -2.2979 | |
| 107 | K | A | -2.3597 | |
| 108 | A | A | 0.0000 | |
| 109 | K | A | -3.0265 | |
| 110 | K | A | -2.7314 | |
| 111 | L | A | 0.0000 | |
| 112 | K | A | -1.8079 | |
| 113 | L | A | 0.0000 | |
| 114 | V | A | 0.0000 | |
| 115 | V | A | 0.0000 | |
| 116 | V | A | 0.0000 | |
| 117 | A | A | 0.0000 | |
| 118 | G | A | 0.0000 | |
| 119 | V | A | 0.2458 | |
| 120 | G | A | -0.0328 | |
| 121 | S | A | 0.0000 | |
| 122 | D | A | -0.6451 | |
| 123 | H | A | 0.0000 | |
| 124 | I | A | 0.0000 | |
| 125 | D | A | -1.6046 | |
| 126 | L | A | 0.0000 | |
| 127 | D | A | -2.1581 | |
| 128 | Y | A | -1.4892 | |
| 129 | I | A | 0.0000 | |
| 130 | N | A | -2.2135 | |
| 131 | Q | A | -1.9674 | |
| 132 | T | A | -1.2747 | |
| 133 | G | A | -1.9502 | |
| 134 | K | A | -2.1934 | |
| 135 | K | A | -2.7696 | |
| 136 | I | A | 0.0000 | |
| 137 | S | A | 0.0000 | |
| 138 | V | A | 0.0000 | |
| 139 | L | A | 0.0000 | |
| 140 | E | A | 0.0000 | |
| 141 | V | A | 0.0000 | |
| 142 | T | A | -0.2972 | |
| 143 | G | A | -0.0729 | |
| 144 | S | A | 0.0000 | |
| 145 | N | A | 0.0000 | |
| 146 | V | A | 0.0000 | |
| 147 | V | A | 0.1398 | |
| 148 | S | A | -0.3865 | |
| 149 | V | A | 0.0000 | |
| 150 | A | A | 0.0000 | |
| 151 | E | A | -1.4348 | |
| 152 | H | A | 0.0000 | |
| 153 | V | A | 0.0000 | |
| 154 | L | A | -0.1516 | |
| 155 | M | A | 0.2664 | |
| 156 | T | A | 0.0000 | |
| 157 | M | A | 0.0000 | |
| 158 | L | A | 0.1823 | |
| 159 | V | A | 0.6697 | |
| 160 | L | A | 0.0000 | |
| 161 | V | A | 0.0000 | |
| 162 | R | A | -1.2134 | |
| 163 | N | A | 0.0000 | |
| 164 | F | A | 1.2205 | |
| 165 | V | A | 0.5396 | |
| 166 | P | A | 0.5314 | |
| 167 | A | A | 0.6181 | |
| 168 | H | A | 0.1637 | |
| 169 | E | A | -0.7720 | |
| 170 | Q | A | -0.4298 | |
| 171 | I | A | 1.0981 | |
| 172 | I | A | 1.0981 | |
| 173 | N | A | -1.0270 | |
| 174 | H | A | -1.0774 | |
| 175 | D | A | -1.5873 | |
| 176 | W | A | 0.1152 | |
| 177 | E | A | -0.2208 | |
| 178 | V | A | 1.0198 | |
| 179 | A | A | 0.2205 | |
| 180 | A | A | 0.0477 | |
| 181 | I | A | 0.2530 | |
| 182 | A | A | -0.4704 | |
| 183 | K | A | -1.1414 | |
| 184 | D | A | 0.0000 | |
| 185 | A | A | -0.7951 | |
| 186 | Y | A | -1.2203 | |
| 187 | D | A | -2.2951 | |
| 188 | I | A | 0.0000 | |
| 189 | E | A | -2.7728 | |
| 190 | G | A | -2.4319 | |
| 191 | K | A | -1.9153 | |
| 192 | T | A | 0.0000 | |
| 193 | I | A | 0.0000 | |
| 194 | A | A | 0.0000 | |
| 195 | T | A | 0.0000 | |
| 196 | I | A | 0.0000 | |
| 197 | G | A | 0.0000 | |
| 198 | A | A | 0.0000 | |
| 199 | G | A | -0.5746 | |
| 200 | R | A | -0.3991 | |
| 201 | I | A | -0.2440 | |
| 202 | G | A | 0.0000 | |
| 203 | Y | A | 0.0000 | |
| 204 | R | A | -0.7295 | |
| 205 | V | A | 0.0000 | |
| 206 | L | A | 0.0000 | |
| 207 | E | A | -1.0964 | |
| 208 | R | A | -0.7174 | |
| 209 | L | A | 0.0000 | |
| 210 | V | A | -0.4214 | |
| 211 | P | A | -0.3393 | |
| 212 | F | A | -0.8482 | |
| 213 | N | A | -1.9402 | |
| 214 | P | A | -2.2091 | |
| 215 | K | A | -2.6239 | |
| 216 | E | A | -1.9172 | |
| 217 | L | A | 0.0000 | |
| 218 | L | A | 0.0000 | |
| 219 | Y | A | 0.0000 | |
| 220 | Y | A | -0.8164 | |
| 221 | D | A | -0.5302 | |
| 222 | Y | A | -0.2596 | |
| 223 | Q | A | -0.7818 | |
| 224 | A | A | -0.8166 | |
| 225 | L | A | 0.0000 | |
| 226 | P | A | -2.0484 | |
| 227 | K | A | -3.4081 | |
| 228 | D | A | -3.8390 | |
| 229 | A | A | 0.0000 | |
| 230 | E | A | -3.2366 | |
| 231 | E | A | -4.1145 | |
| 232 | K | A | -3.5240 | |
| 233 | V | A | 0.0000 | |
| 234 | G | A | -2.1342 | |
| 235 | A | A | 0.0000 | |
| 236 | R | A | -1.7374 | |
| 237 | R | A | -1.3694 | |
| 238 | V | A | 0.0000 | |
| 239 | E | A | -2.6190 | |
| 240 | N | A | -2.4602 | |
| 241 | I | A | -1.5121 | |
| 242 | E | A | -2.3880 | |
| 243 | E | A | -2.7291 | |
| 244 | L | A | 0.0000 | |
| 245 | V | A | 0.0000 | |
| 246 | A | A | -1.8006 | |
| 247 | Q | A | -1.4247 | |
| 248 | A | A | 0.0000 | |
| 249 | D | A | -1.0935 | |
| 250 | I | A | 0.0000 | |
| 251 | V | A | 0.0000 | |
| 252 | T | A | 0.0000 | |
| 253 | I | A | 0.0000 | |
| 254 | N | A | -0.2308 | |
| 255 | A | A | -0.1896 | |
| 256 | P | A | -0.5008 | |
| 257 | L | A | 0.0000 | |
| 258 | H | A | -1.0374 | |
| 259 | A | A | -0.9253 | |
| 260 | G | A | -1.1435 | |
| 261 | T | A | 0.0000 | |
| 262 | K | A | -1.7912 | |
| 263 | G | A | -0.9512 | |
| 264 | L | A | -0.7461 | |
| 265 | I | A | 0.0000 | |
| 266 | N | A | -1.9310 | |
| 267 | K | A | -3.0893 | |
| 268 | E | A | -3.0718 | |
| 269 | L | A | 0.0000 | |
| 270 | L | A | 0.0000 | |
| 271 | S | A | -2.2887 | |
| 272 | K | A | -2.5854 | |
| 273 | F | A | 0.0000 | |
| 274 | K | A | -2.2091 | |
| 275 | K | A | -2.5795 | |
| 276 | G | A | -1.4287 | |
| 277 | A | A | 0.0000 | |
| 278 | W | A | 0.0000 | |
| 279 | L | A | 0.0000 | |
| 280 | V | A | 0.0000 | |
| 281 | N | A | 0.0000 | |
| 282 | T | A | 0.0000 | |
| 283 | A | A | -0.0861 | |
| 284 | R | A | -0.3912 | |
| 285 | G | A | 0.0000 | |
| 286 | A | A | 0.0000 | |
| 287 | I | A | 0.0000 | |
| 288 | C | A | 0.0000 | |
| 289 | V | A | -0.5243 | |
| 290 | A | A | -0.7693 | |
| 291 | E | A | -2.0500 | |
| 292 | D | A | -2.0692 | |
| 293 | V | A | 0.0000 | |
| 294 | A | A | 0.0000 | |
| 295 | A | A | -1.6377 | |
| 296 | A | A | 0.0000 | |
| 297 | L | A | 0.0000 | |
| 298 | E | A | -2.6999 | |
| 299 | S | A | -1.8133 | |
| 300 | G | A | -1.6913 | |
| 301 | Q | A | -1.6337 | |
| 302 | L | A | 0.0000 | |
| 303 | R | A | -1.3572 | |
| 304 | G | A | 0.0000 | |
| 305 | Y | A | 0.0000 | |
| 306 | G | A | 0.0000 | |
| 307 | G | A | 0.0000 | |
| 308 | D | A | 0.0000 | |
| 309 | V | A | 0.0000 | |
| 310 | W | A | 0.0000 | |
| 311 | F | A | 0.7065 | |
| 312 | P | A | 0.2052 | |
| 313 | Q | A | 0.0000 | |
| 314 | P | A | -0.4731 | |
| 315 | A | A | -0.9245 | |
| 316 | P | A | -1.6794 | |
| 317 | K | A | -3.0580 | |
| 318 | D | A | -3.1689 | |
| 319 | H | A | 0.0000 | |
| 320 | P | A | -2.1772 | |
| 321 | W | A | 0.0000 | |
| 322 | R | A | -2.6997 | |
| 323 | D | A | -3.0283 | |
| 324 | M | A | 0.0000 | |
| 325 | R | A | -2.4224 | |
| 326 | N | A | 0.0000 | |
| 327 | K | A | -2.2194 | |
| 328 | Y | A | -0.7397 | |
| 329 | G | A | -1.2910 | |
| 330 | A | A | 0.0000 | |
| 331 | G | A | -0.5346 | |
| 332 | N | A | -0.7829 | |
| 333 | A | A | 0.2220 | |
| 334 | M | A | -0.3633 | |
| 335 | T | A | -0.1010 | |
| 336 | P | A | -0.1005 | |
| 337 | H | A | 0.0786 | |
| 338 | Y | A | 0.6270 | |
| 339 | S | A | 0.0000 | |
| 340 | G | A | 0.0000 | |
| 341 | T | A | 0.0605 | |
| 342 | T | A | -0.2746 | |
| 343 | L | A | -0.8846 | |
| 344 | D | A | -1.8234 | |
| 345 | A | A | 0.0000 | |
| 346 | Q | A | 0.0000 | |
| 347 | T | A | -1.3785 | |
| 348 | R | A | -1.2948 | |
| 349 | Y | A | 0.0000 | |
| 350 | A | A | 0.0000 | |
| 351 | E | A | -2.6538 | |
| 352 | G | A | -1.9319 | |
| 353 | T | A | 0.0000 | |
| 354 | K | A | -2.1638 | |
| 355 | N | A | -2.6767 | |
| 356 | I | A | 0.0000 | |
| 357 | L | A | 0.0000 | |
| 358 | E | A | -2.0005 | |
| 359 | S | A | -1.8640 | |
| 360 | F | A | 0.0000 | |
| 361 | F | A | 0.0000 | |
| 362 | T | A | -1.3417 | |
| 363 | G | A | -1.4463 | |
| 364 | K | A | -2.2679 | |
| 365 | F | A | -1.1884 | |
| 366 | D | A | -2.5105 | |
| 367 | Y | A | 0.0000 | |
| 368 | R | A | -1.4770 | |
| 369 | P | A | -0.9831 | |
| 370 | Q | A | -0.8164 | |
| 371 | D | A | 0.0000 | |
| 372 | I | A | 0.0000 | |
| 373 | I | A | 0.0000 | |
| 374 | L | A | 0.0000 | |
| 375 | L | A | -0.8100 | |
| 376 | N | A | -2.2149 | |
| 377 | G | A | 0.0000 | |
| 378 | E | A | -2.8392 | |
| 379 | Y | A | -1.6303 | |
| 380 | I | A | -0.3944 | |
| 381 | T | A | -1.0605 | |
| 382 | K | A | -2.1732 | |
| 383 | A | A | -1.1778 | |
| 384 | Y | A | 0.0000 | |
| 385 | G | A | -1.6742 | |
| 386 | K | A | -2.9695 | |
| 387 | H | A | -3.3252 | |
| 388 | D | A | -3.8129 | |
| 389 | K | A | -4.0854 | |
| 390 | K | A | -3.6225 | |
| 391 | G | A | -2.3409 | |
| 392 | S | A | -1.5855 | |
| 393 | G | A | -1.2248 | |
| 394 | G | A | -1.1565 | |
| 395 | G | A | -1.0958 | |
| 396 | G | A | -0.9092 | |
| 397 | S | A | -0.4959 | |
| 398 | A | A | -0.0596 | |
| 399 | S | A | 0.1540 | |
| 400 | M | A | 0.7177 | |
| 401 | S | A | -0.2656 | |
| 402 | A | A | -0.5261 | |
| 403 | E | A | -1.6034 | |
| 404 | A | A | -0.3416 | |
| 405 | M | A | 0.1987 | |
| 406 | N | A | -1.0923 | |
| 407 | M | A | -0.2351 | |
| 408 | N | A | -0.9865 | |
| 409 | M | A | -0.8712 | |
| 410 | N | A | -1.8528 | |
| 411 | Q | A | -1.2400 | |
| 412 | D | A | -0.6039 | |
| 413 | A | A | 0.9001 | |
| 414 | V | A | 2.8409 | |
| 415 | F | A | 3.5339 | |
| 416 | I | A | 3.3191 | |
| 417 | P | A | 1.0203 | |
| 418 | P | A | -0.6579 | |
| 419 | P | A | -1.5360 | |
| 420 | E | A | -2.5360 | |
| 421 | G | A | -2.2949 | |
| 422 | E | A | -3.0197 | |
| 423 | Q | A | -2.9812 | |
| 424 | Y | A | -2.1113 | |
| 425 | E | A | -3.9952 | |
| 426 | R | A | -4.7879 | |
| 427 | K | A | -4.7313 | |
| 428 | E | A | -4.3055 | |
| 429 | K | A | -4.5193 | |
| 430 | Q | A | -4.6555 | |
| 431 | E | A | -3.7214 | |
| 432 | I | A | -1.2691 | |
| 433 | Q | A | -2.2950 | |
| 434 | Q | A | -1.9355 | |
| 435 | T | A | -0.9623 | |
| 436 | S | A | -0.6200 | |
| 437 | Y | A | 0.4197 | |
| 438 | L | A | 0.4810 | |
| 439 | Q | A | -0.9068 | |
| 440 | S | A | -0.4780 | |
| 441 | Q | A | -0.3843 | |
| 442 | V | A | 0.8195 | |
| 443 | K | A | -0.3786 | |
| 444 | V | A | 1.7550 | |
| 445 | P | A | 1.3652 | |
| 446 | L | A | 2.3688 | |
| 447 | V | A | 2.5705 | |
| 448 | N | A | 0.7008 | |
| 449 | L | A | 1.5754 | |
| 450 | P | A | 0.6748 | |
| 451 | A | A | 0.8320 | |
| 452 | P | A | 1.4435 | |
| 453 | F | A | 2.6735 | |
| 454 | F | A | 2.6767 | |
| 455 | S | A | 1.4906 | |
| 456 | T | A | 1.2001 | |
| 457 | S | A | 0.8928 | |
| 458 | F | A | 1.4774 | |
| 459 | S | A | 0.3361 | |
| 460 | A | A | 0.1573 | |
| 461 | Q | A | -1.1684 | |
| 462 | E | A | -1.0493 | |
| 463 | I | A | 1.2911 | |
| 464 | L | A | 0.7027 | |
| 465 | G | A | -0.9702 | |
| 466 | E | A | -2.1706 | |
| 467 | G | A | -0.9283 | |
| 468 | F | A | 0.1303 | |
| 469 | Q | A | -1.1102 | |
| 470 | A | A | -0.6899 | |
| 471 | S | A | -0.0071 | |
| 472 | I | A | 0.9561 | |
| 473 | S | A | -0.0190 | |
| 474 | R | A | -0.6210 | |
| 475 | I | A | 1.2927 | |
| 476 | S | A | 0.0631 | |
| 477 | A | A | -0.2587 | |
| 478 | V | A | 0.2734 | |
| 479 | S | A | -0.6383 | |
| 480 | E | A | -2.0275 | |
| 481 | E | A | -1.8374 | |
| 482 | L | A | -0.1066 | |
| 483 | S | A | -0.5804 | |
| 484 | S | A | -0.0389 | |
| 485 | I | A | 1.2181 | |
| 486 | E | A | -0.4546 | |
| 487 | I | A | 0.1346 | |
| 488 | P | A | -1.0908 | |
| 489 | E | A | -2.0911 | |
| 490 | L | A | -0.9436 | |
| 491 | A | A | -1.9659 | |
| 492 | E | A | -3.4030 | |
| 493 | E | A | -3.6264 | |
| 494 | A | A | -2.3802 | |
| 495 | R | A | -3.3554 | |
| 496 | R | A | -3.5989 | |
| 497 | D | A | -2.6856 | |
| 498 | F | A | -1.0950 | |
| 499 | A | A | -1.8049 | |
| 500 | A | A | -2.3948 | |
| 501 | K | A | -3.2440 | |
| 502 | T | A | -2.4494 | |
| 503 | R | A | -3.1928 | |
| 504 | E | A | -3.2318 | |
| 505 | Q | A | -2.9677 | |
| 506 | E | A | -2.3984 | |
| 507 | M | A | -0.7268 | |
| 508 | L | A | 0.2361 | |
| 509 | S | A | -0.5896 | |
| 510 | A | A | -0.9791 | |
| 511 | N | A | -1.4340 | |
| 512 | Y | A | -0.6174 | |
| 513 | Q | A | -2.2212 | |
| 514 | K | A | -3.7691 | |
| 515 | E | A | -4.1413 | |
| 516 | V | A | -3.0404 | |
| 517 | E | A | -4.4777 | |
| 518 | R | A | -4.8593 | |
| 519 | K | A | -4.2372 | |
| 520 | T | A | -3.3797 | |
| 521 | E | A | -4.2433 | |
| 522 | A | A | -2.8300 | |
| 523 | Y | A | -2.1064 | |
| 524 | R | A | -3.4272 | |
| 525 | K | A | -3.6396 | |
| 526 | Q | A | -2.7954 | |
| 527 | Q | A | -3.1490 | |
| 528 | E | A | -3.1808 | |
| 529 | V | A | -1.7484 | |
| 530 | E | A | -2.6743 | |
| 531 | A | A | -2.6293 | |
| 532 | D | A | -3.0709 | |
| 533 | K | A | -3.3194 | |
| 534 | I | A | -1.6520 | |
| 535 | R | A | -3.5466 | |
| 536 | K | A | -4.5226 | |
| 537 | E | A | -3.7553 | |
| 538 | L | A | -2.2684 | |
| 539 | E | A | -3.9787 | |
| 540 | K | A | -3.7483 | |
| 541 | Q | A | -3.3393 | |
| 542 | H | A | -2.6206 | |
| 543 | L | A | -1.8608 | |
| 544 | R | A | -3.0039 | |
| 545 | D | A | -2.6223 | |
| 546 | V | A | -1.8067 | |
| 547 | E | A | -2.6418 | |
| 548 | F | A | -1.1230 | |
| 549 | R | A | -2.2810 | |
| 550 | K | A | -2.9699 | |
| 551 | D | A | -2.2061 | |
| 552 | I | A | -0.1401 | |
| 553 | V | A | -0.0294 | |
| 554 | E | A | -1.8588 | |
| 555 | M | A | -1.0728 | |
| 556 | A | A | -0.9915 | |
| 557 | I | A | -1.3868 | |
| 558 | E | A | -3.0001 | |
| 559 | N | A | -3.2194 | |
| 560 | Q | A | -3.0554 | |
| 561 | K | A | -3.6255 | |
| 562 | K | A | -3.5966 | |
| 563 | M | A | -1.9091 | |
| 564 | I | A | -1.3040 | |
| 565 | D | A | -2.7067 | |
| 566 | V | A | -1.5742 | |
| 567 | E | A | -2.2463 | |
| 568 | S | A | -2.2431 | |
| 569 | R | A | -2.7680 | |
| 570 | Y | A | -1.6627 | |
| 571 | A | A | -2.6264 | |
| 572 | K | A | -3.9619 | |
| 573 | K | A | -4.4540 | |
| 574 | D | A | -4.2451 | |
| 575 | M | A | -3.6332 | |
| 576 | D | A | -4.4844 | |
| 577 | R | A | -4.9315 | |
| 578 | E | A | -4.5191 | |
| 579 | R | A | -3.3589 | |
| 580 | V | A | -1.5242 | |
| 581 | K | A | -2.4117 | |
| 582 | V | A | -1.0370 | |
| 583 | R | A | -1.9621 | |
| 584 | M | A | -1.1764 | |
| 585 | M | A | -0.4905 | |
| 586 | L | A | -0.9010 | |
| 587 | E | A | -2.8692 | |
| 588 | Q | A | -2.5780 | |
| 589 | Q | A | -3.0150 | |
| 590 | K | A | -3.4534 | |
| 591 | F | A | -2.4129 | |
| 592 | H | A | -2.7301 | |
| 593 | S | A | -2.3426 | |
| 594 | D | A | -2.5072 | |
| 595 | I | A | -1.4056 | |
| 596 | Q | A | -1.4207 | |
| 597 | V | A | -0.1874 | |
| 598 | N | A | -1.1278 | |
| 599 | L | A | -0.0095 | |
| 600 | D | A | -1.3772 | |
| 601 | S | A | -0.7982 | |
| 602 | S | A | -0.6206 | |
| 603 | A | A | -0.5753 | |
| 604 | A | A | -0.4295 | |
| 605 | G | A | -0.9372 | |
| 606 | T | A | -1.2039 | |
| 607 | E | A | -2.1404 | |
| 608 | T | A | -1.3974 | |
| 609 | G | A | -1.1738 | |
| 610 | G | A | -0.8094 | |
| 611 | Q | A | -0.2053 | |
| 612 | V | A | 1.5640 | |
| 613 | V | A | 1.3108 | |
| 614 | S | A | -0.3116 | |
| 615 | E | A | -1.7789 | |
| 616 | S | A | -1.8869 | |
| 617 | Q | A | -2.8818 | |
| 618 | K | A | -3.5529 | |
| 619 | F | A | -2.7434 | |
| 620 | T | A | -3.1209 | |
| 621 | E | A | -4.2851 | |
| 622 | R | A | -4.2016 | |
| 623 | N | A | -3.2071 | |
| 624 | R | A | -4.1452 | |
| 625 | Q | A | -3.5257 | |
| 626 | I | A | -1.5889 | |
| 627 | K | A | -2.9383 | |
| 628 | Q | A | -2.4423 |
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 | -1.0218 | 7.3111 | View | CSV | PDB |
| 4.5 | -1.133 | 7.3111 | View | CSV | PDB |
| 5.0 | -1.275 | 7.3111 | View | CSV | PDB |
| 5.5 | -1.4192 | 7.3111 | View | CSV | PDB |
| 6.0 | -1.534 | 7.3111 | View | CSV | PDB |
| 6.5 | -1.5958 | 7.3111 | View | CSV | PDB |
| 7.0 | -1.6007 | 7.3111 | View | CSV | PDB |
| 7.5 | -1.5649 | 7.3111 | View | CSV | PDB |
| 8.0 | -1.5068 | 7.3111 | View | CSV | PDB |
| 8.5 | -1.4352 | 7.3111 | View | CSV | PDB |
| 9.0 | -1.3512 | 7.3111 | 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