| Chain sequence(s) |
A: YIFSSDTGPGHLQQKSVRQSVLPVNTLEEVHEEKCYPPKLDEAKEQLLLKKLQESASMANRSRYQSRKVENMKATIIQRLKRGCRLYLMSETPKVPTYRTTYPAPVYSPPINVRLSNPESAVAACNEFLARNYPTVSSYQITDEYDAYLDMVDGSESCLDRATFNPSKLRSYPKQHAYHAPSIRSAVPSPFQNTLQNVLAAATKRNCNVTQMRELPTLDSAVFNVECFKKFACNQEYWEEFAASPIRITTENLTTYVTKLKGPKAAALFAKTHNLLPLQEVPMDRFTVDMKRDVKVTPGTKHTEERPKVQVIQAAEPLATAYLCGIHRELVRRLNAVLLPNVHTLFDMSAEDFDAIIAAHFKPGDTVLETDIASFDKSQDDSLALTALMLLEDLGVDHSLLDLIEAAFGEISSCHLPTGTRFKFGAMMKSGMFLTLFVNTLLNITIASRVLEDRLTKSACAAFIGDDNIIHGVVSDELMAARCATWMNMEVKIIDAVVSQKAPYFCGGFILHDIVTGTACRVADPLKRLFKLGKPLAAGDEQDEDRRRALADEVVRWQRTGLIDELEKAVYSRYEVQGISVVVMSMATFASSRSNFEKLRGPVVTLYGGPK
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] (00:00:03)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:03)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with A chain(s) selected (00:00:03)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:03)
[INFO] PDB-Info: The input structure is globular. Max score is recommended for pH analysis. (00:00:06)
[INFO] FoldX: Starting FoldX energy minimization (00:00:06)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:13:53)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/c712814caba9e4f/tmp/folded.pdb (00:13:53)
[INFO] Main: Simulation completed successfully. (00:18:41)
|
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 | Y | A | 1.0217 | |
| 2 | I | A | 0.4295 | |
| 3 | F | A | 0.0000 | |
| 4 | S | A | -0.0988 | |
| 5 | S | A | -0.1943 | |
| 6 | D | A | -0.7608 | |
| 7 | T | A | -1.3324 | |
| 8 | G | A | -1.2418 | |
| 9 | P | A | -0.7863 | |
| 10 | G | A | -0.6093 | |
| 11 | H | A | -1.2000 | |
| 12 | L | A | 0.0000 | |
| 13 | Q | A | -2.3040 | |
| 14 | Q | A | -2.6694 | |
| 15 | K | A | -2.6815 | |
| 16 | S | A | -1.5233 | |
| 17 | V | A | -0.6688 | |
| 18 | R | A | 0.0000 | |
| 19 | Q | A | -0.0665 | |
| 20 | S | A | 1.0029 | |
| 21 | V | A | 2.2919 | |
| 22 | L | A | 1.9011 | |
| 23 | P | A | 1.1255 | |
| 24 | V | A | 1.6189 | |
| 25 | N | A | -0.1051 | |
| 26 | T | A | 0.4595 | |
| 27 | L | A | 0.7751 | |
| 28 | E | A | -0.9726 | |
| 29 | E | A | -1.1985 | |
| 30 | V | A | -1.0291 | |
| 31 | H | A | -2.1648 | |
| 32 | E | A | -2.4095 | |
| 33 | E | A | -2.9352 | |
| 34 | K | A | -2.4992 | |
| 35 | C | A | -0.8874 | |
| 36 | Y | A | 0.3043 | |
| 37 | P | A | -0.3458 | |
| 38 | P | A | -0.5556 | |
| 39 | K | A | -1.4927 | |
| 40 | L | A | -0.9799 | |
| 41 | D | A | -2.2559 | |
| 42 | E | A | -2.7297 | |
| 43 | A | A | -1.4668 | |
| 44 | K | A | -1.8475 | |
| 45 | E | A | -2.2883 | |
| 46 | Q | A | -1.8743 | |
| 47 | L | A | -0.8105 | |
| 48 | L | A | 0.0000 | |
| 49 | L | A | -2.0660 | |
| 50 | K | A | -2.7342 | |
| 51 | K | A | -2.8390 | |
| 52 | L | A | -2.4367 | |
| 53 | Q | A | -2.9736 | |
| 54 | E | A | -3.0875 | |
| 55 | S | A | -1.8959 | |
| 56 | A | A | -1.2302 | |
| 57 | S | A | -0.7531 | |
| 58 | M | A | 0.0231 | |
| 59 | A | A | -0.7333 | |
| 60 | N | A | -2.1421 | |
| 61 | R | A | -2.5196 | |
| 62 | S | A | -2.1586 | |
| 63 | R | A | -2.9411 | |
| 64 | Y | A | 0.0000 | |
| 65 | Q | A | -2.4928 | |
| 66 | S | A | -1.9958 | |
| 67 | R | A | -2.4831 | |
| 68 | K | A | -2.0086 | |
| 69 | V | A | -1.2008 | |
| 70 | E | A | -1.2659 | |
| 71 | N | A | 0.0000 | |
| 72 | M | A | 0.0000 | |
| 73 | K | A | 0.0000 | |
| 74 | A | A | -0.7240 | |
| 75 | T | A | -0.4314 | |
| 76 | I | A | 0.0000 | |
| 77 | I | A | -0.8623 | |
| 78 | Q | A | -1.6618 | |
| 79 | R | A | -1.9000 | |
| 80 | L | A | 0.0000 | |
| 81 | K | A | -2.2791 | |
| 82 | R | A | -2.7865 | |
| 83 | G | A | -1.8402 | |
| 84 | C | A | 0.0000 | |
| 85 | R | A | -1.7670 | |
| 86 | L | A | 0.3655 | |
| 87 | Y | A | 0.0743 | |
| 88 | L | A | -0.3836 | |
| 89 | M | A | -0.1563 | |
| 90 | S | A | -0.8291 | |
| 91 | E | A | -1.7838 | |
| 92 | T | A | -1.2165 | |
| 93 | P | A | -1.1370 | |
| 94 | K | A | -1.4581 | |
| 95 | V | A | -0.4654 | |
| 96 | P | A | -0.6792 | |
| 97 | T | A | 0.0000 | |
| 98 | Y | A | 0.0701 | |
| 99 | R | A | -0.4451 | |
| 100 | T | A | -0.0712 | |
| 101 | T | A | 0.0000 | |
| 102 | Y | A | 0.0000 | |
| 103 | P | A | 0.9088 | |
| 104 | A | A | 0.8185 | |
| 105 | P | A | 0.0000 | |
| 106 | V | A | 2.0200 | |
| 107 | Y | A | 1.5211 | |
| 108 | S | A | 0.0000 | |
| 109 | P | A | 0.2327 | |
| 110 | P | A | -0.0285 | |
| 111 | I | A | -0.0197 | |
| 112 | N | A | -0.9280 | |
| 113 | V | A | -0.3065 | |
| 114 | R | A | -1.4287 | |
| 115 | L | A | -0.7084 | |
| 116 | S | A | -0.8797 | |
| 117 | N | A | -1.3956 | |
| 118 | P | A | -1.5456 | |
| 119 | E | A | -2.1362 | |
| 120 | S | A | -1.1276 | |
| 121 | A | A | 0.0000 | |
| 122 | V | A | -0.8750 | |
| 123 | A | A | -0.7818 | |
| 124 | A | A | -0.5945 | |
| 125 | C | A | 0.0000 | |
| 126 | N | A | -1.4661 | |
| 127 | E | A | -2.0495 | |
| 128 | F | A | 0.0000 | |
| 129 | L | A | 0.0000 | |
| 130 | A | A | -1.8492 | |
| 131 | R | A | -2.6398 | |
| 132 | N | A | -2.0302 | |
| 133 | Y | A | 0.0000 | |
| 134 | P | A | -0.9548 | |
| 135 | T | A | -0.2964 | |
| 136 | V | A | 0.0000 | |
| 137 | S | A | -0.8756 | |
| 138 | S | A | 0.0685 | |
| 139 | Y | A | 0.4753 | |
| 140 | Q | A | -0.0889 | |
| 141 | I | A | 0.0000 | |
| 142 | T | A | -0.3043 | |
| 143 | D | A | 0.0000 | |
| 144 | E | A | -1.2879 | |
| 145 | Y | A | 0.0684 | |
| 146 | D | A | 0.0000 | |
| 147 | A | A | 0.0000 | |
| 148 | Y | A | 0.8072 | |
| 149 | L | A | 0.2471 | |
| 150 | D | A | 0.0000 | |
| 151 | M | A | 0.7173 | |
| 152 | V | A | 1.1501 | |
| 153 | D | A | -0.9468 | |
| 154 | G | A | -1.1696 | |
| 155 | S | A | -1.2831 | |
| 156 | E | A | -2.0804 | |
| 157 | S | A | -1.1044 | |
| 158 | C | A | -0.9964 | |
| 159 | L | A | -1.7406 | |
| 160 | D | A | -2.9481 | |
| 161 | R | A | -3.3147 | |
| 162 | A | A | -2.0150 | |
| 163 | T | A | -1.0746 | |
| 164 | F | A | -0.2952 | |
| 165 | N | A | -1.3927 | |
| 166 | P | A | -1.1848 | |
| 167 | S | A | -1.4583 | |
| 168 | K | A | -1.6880 | |
| 169 | L | A | -1.2117 | |
| 170 | R | A | -1.7749 | |
| 171 | S | A | -1.0282 | |
| 172 | Y | A | 0.0968 | |
| 173 | P | A | -0.9211 | |
| 174 | K | A | -2.1553 | |
| 175 | Q | A | -1.8626 | |
| 176 | H | A | -0.9484 | |
| 177 | A | A | 0.1169 | |
| 178 | Y | A | 0.5079 | |
| 179 | H | A | 0.3889 | |
| 180 | A | A | 0.0604 | |
| 181 | P | A | -0.5193 | |
| 182 | S | A | -0.7697 | |
| 183 | I | A | 0.0000 | |
| 184 | R | A | -1.7681 | |
| 185 | S | A | 0.0000 | |
| 186 | A | A | 0.0000 | |
| 187 | V | A | -0.2291 | |
| 188 | P | A | 0.0000 | |
| 189 | S | A | 0.0000 | |
| 190 | P | A | -0.6249 | |
| 191 | F | A | 0.0000 | |
| 192 | Q | A | -1.1637 | |
| 193 | N | A | -1.5313 | |
| 194 | T | A | -0.6780 | |
| 195 | L | A | 0.0000 | |
| 196 | Q | A | 0.0000 | |
| 197 | N | A | 0.0000 | |
| 198 | V | A | 0.0000 | |
| 199 | L | A | 0.0000 | |
| 200 | A | A | 0.0000 | |
| 201 | A | A | 0.0000 | |
| 202 | A | A | 0.0000 | |
| 203 | T | A | 0.0000 | |
| 204 | K | A | -1.4054 | |
| 205 | R | A | -1.0865 | |
| 206 | N | A | 0.0000 | |
| 207 | C | A | 0.0000 | |
| 208 | N | A | -1.7734 | |
| 209 | V | A | -0.9302 | |
| 210 | T | A | -1.0078 | |
| 211 | Q | A | -1.5833 | |
| 212 | M | A | -1.0965 | |
| 213 | R | A | -1.5214 | |
| 214 | E | A | -2.0388 | |
| 215 | L | A | -0.7565 | |
| 216 | P | A | -0.5657 | |
| 217 | T | A | -0.1751 | |
| 218 | L | A | 1.2277 | |
| 219 | D | A | 0.3602 | |
| 220 | S | A | 0.0000 | |
| 221 | A | A | 0.0000 | |
| 222 | V | A | 0.7778 | |
| 223 | F | A | 0.6860 | |
| 224 | N | A | 0.0000 | |
| 225 | V | A | 0.0000 | |
| 226 | E | A | -1.7280 | |
| 227 | C | A | -1.4077 | |
| 228 | F | A | 0.0000 | |
| 229 | K | A | -1.9509 | |
| 230 | K | A | -2.6552 | |
| 231 | F | A | -1.7085 | |
| 232 | A | A | 0.0000 | |
| 233 | C | A | 0.0000 | |
| 234 | N | A | -1.5253 | |
| 235 | Q | A | -2.5113 | |
| 236 | E | A | -2.5617 | |
| 237 | Y | A | -1.3563 | |
| 238 | W | A | -1.6081 | |
| 239 | E | A | -2.5247 | |
| 240 | E | A | -1.9611 | |
| 241 | F | A | 0.0000 | |
| 242 | A | A | -1.1014 | |
| 243 | A | A | -0.7160 | |
| 244 | S | A | -0.7811 | |
| 245 | P | A | -0.7610 | |
| 246 | I | A | 0.0000 | |
| 247 | R | A | -1.0093 | |
| 248 | I | A | 0.0000 | |
| 249 | T | A | 0.0000 | |
| 250 | T | A | -0.5726 | |
| 251 | E | A | -0.6662 | |
| 252 | N | A | -0.5480 | |
| 253 | L | A | 0.0000 | |
| 254 | T | A | -0.1128 | |
| 255 | T | A | -0.6711 | |
| 256 | Y | A | -0.4389 | |
| 257 | V | A | 0.0000 | |
| 258 | T | A | -0.8249 | |
| 259 | K | A | -1.8022 | |
| 260 | L | A | -1.6527 | |
| 261 | K | A | -2.4370 | |
| 262 | G | A | -1.8356 | |
| 263 | P | A | -1.3002 | |
| 264 | K | A | -1.6593 | |
| 265 | A | A | 0.0000 | |
| 266 | A | A | -0.7431 | |
| 267 | A | A | -0.4760 | |
| 268 | L | A | 0.0000 | |
| 269 | F | A | -0.3038 | |
| 270 | A | A | -0.6772 | |
| 271 | K | A | -1.3610 | |
| 272 | T | A | 0.0000 | |
| 273 | H | A | -1.6874 | |
| 274 | N | A | -1.7313 | |
| 275 | L | A | -1.0850 | |
| 276 | L | A | -0.8842 | |
| 277 | P | A | -1.4461 | |
| 278 | L | A | 0.0000 | |
| 279 | Q | A | -2.0069 | |
| 280 | E | A | -2.2725 | |
| 281 | V | A | 0.0000 | |
| 282 | P | A | -1.7390 | |
| 283 | M | A | 0.0000 | |
| 284 | D | A | -3.3177 | |
| 285 | R | A | -3.1838 | |
| 286 | F | A | 0.0000 | |
| 287 | T | A | -0.7118 | |
| 288 | V | A | 0.0000 | |
| 289 | D | A | -1.7351 | |
| 290 | M | A | 0.0000 | |
| 291 | K | A | -1.7486 | |
| 292 | R | A | -2.0327 | |
| 293 | D | A | -1.4181 | |
| 294 | V | A | -1.3675 | |
| 295 | K | A | -1.8588 | |
| 296 | V | A | -0.8279 | |
| 297 | T | A | -0.7974 | |
| 298 | P | A | 0.0000 | |
| 299 | G | A | -0.8036 | |
| 300 | T | A | -1.6991 | |
| 301 | K | A | -3.0391 | |
| 302 | H | A | -2.4209 | |
| 303 | T | A | -2.0295 | |
| 304 | E | A | -3.3641 | |
| 305 | E | A | -3.5267 | |
| 306 | R | A | -2.1288 | |
| 307 | P | A | -1.9176 | |
| 308 | K | A | -1.9201 | |
| 309 | V | A | 0.0000 | |
| 310 | Q | A | -1.4862 | |
| 311 | V | A | 0.0000 | |
| 312 | I | A | -0.4752 | |
| 313 | Q | A | 0.0000 | |
| 314 | A | A | -0.4997 | |
| 315 | A | A | -0.7179 | |
| 316 | E | A | -0.9562 | |
| 317 | P | A | -0.4099 | |
| 318 | L | A | 0.0000 | |
| 319 | A | A | 0.0000 | |
| 320 | T | A | -0.0169 | |
| 321 | A | A | 0.0000 | |
| 322 | Y | A | 0.0000 | |
| 323 | L | A | 0.0000 | |
| 324 | C | A | 0.0237 | |
| 325 | G | A | 0.0000 | |
| 326 | I | A | 0.0000 | |
| 327 | H | A | -0.3868 | |
| 328 | R | A | -0.7291 | |
| 329 | E | A | 0.0000 | |
| 330 | L | A | 0.0000 | |
| 331 | V | A | 0.0000 | |
| 332 | R | A | 0.0000 | |
| 333 | R | A | 0.0000 | |
| 334 | L | A | 0.0000 | |
| 335 | N | A | -0.5385 | |
| 336 | A | A | 0.0000 | |
| 337 | V | A | 0.0000 | |
| 338 | L | A | 0.0000 | |
| 339 | L | A | -0.3496 | |
| 340 | P | A | -0.3536 | |
| 341 | N | A | -0.4561 | |
| 342 | V | A | 0.0000 | |
| 343 | H | A | 0.0000 | |
| 344 | T | A | 0.0000 | |
| 345 | L | A | 0.0000 | |
| 346 | F | A | 0.0000 | |
| 347 | D | A | -2.3430 | |
| 348 | M | A | 0.0000 | |
| 349 | S | A | 0.0000 | |
| 350 | A | A | -0.9673 | |
| 351 | E | A | -1.1373 | |
| 352 | D | A | 0.0000 | |
| 353 | F | A | 0.0000 | |
| 354 | D | A | 0.0000 | |
| 355 | A | A | 0.0000 | |
| 356 | I | A | 0.0000 | |
| 357 | I | A | 0.0000 | |
| 358 | A | A | -0.0371 | |
| 359 | A | A | -0.2991 | |
| 360 | H | A | -0.6505 | |
| 361 | F | A | 0.0000 | |
| 362 | K | A | -1.7009 | |
| 363 | P | A | -1.1088 | |
| 364 | G | A | -1.3962 | |
| 365 | D | A | -1.5172 | |
| 366 | T | A | -0.6686 | |
| 367 | V | A | 0.0000 | |
| 368 | L | A | 0.0000 | |
| 369 | E | A | 0.0000 | |
| 370 | T | A | 0.0000 | |
| 371 | D | A | -2.2798 | |
| 372 | I | A | 0.0000 | |
| 373 | A | A | -1.2333 | |
| 374 | S | A | -0.8007 | |
| 375 | F | A | 0.0000 | |
| 376 | D | A | -0.6234 | |
| 377 | K | A | -0.6429 | |
| 378 | S | A | 0.0000 | |
| 379 | Q | A | 0.0000 | |
| 380 | D | A | -1.2305 | |
| 381 | D | A | -1.5336 | |
| 382 | S | A | 0.0000 | |
| 383 | L | A | 0.0000 | |
| 384 | A | A | 0.0000 | |
| 385 | L | A | 0.0274 | |
| 386 | T | A | 0.0000 | |
| 387 | A | A | 0.0000 | |
| 388 | L | A | -0.6581 | |
| 389 | M | A | -0.2394 | |
| 390 | L | A | 0.0000 | |
| 391 | L | A | 0.0000 | |
| 392 | E | A | -1.9030 | |
| 393 | D | A | -1.2825 | |
| 394 | L | A | 0.0000 | |
| 395 | G | A | -1.3214 | |
| 396 | V | A | 0.0000 | |
| 397 | D | A | -1.4519 | |
| 398 | H | A | -1.9736 | |
| 399 | S | A | -1.4215 | |
| 400 | L | A | 0.0000 | |
| 401 | L | A | 0.0000 | |
| 402 | D | A | -2.7939 | |
| 403 | L | A | 0.0000 | |
| 404 | I | A | 0.0000 | |
| 405 | E | A | -2.5345 | |
| 406 | A | A | -2.1047 | |
| 407 | A | A | 0.0000 | |
| 408 | F | A | 0.0000 | |
| 409 | G | A | -2.0637 | |
| 410 | E | A | -3.0520 | |
| 411 | I | A | 0.0000 | |
| 412 | S | A | -2.5991 | |
| 413 | S | A | 0.0000 | |
| 414 | C | A | -1.0795 | |
| 415 | H | A | 0.0000 | |
| 416 | L | A | 0.8645 | |
| 417 | P | A | 0.0849 | |
| 418 | T | A | -0.2209 | |
| 419 | G | A | -0.1889 | |
| 420 | T | A | 0.0000 | |
| 421 | R | A | -2.1266 | |
| 422 | F | A | 0.0000 | |
| 423 | K | A | -3.5388 | |
| 424 | F | A | 0.0000 | |
| 425 | G | A | -1.6696 | |
| 426 | A | A | -1.4629 | |
| 427 | M | A | 0.0000 | |
| 428 | M | A | 0.0000 | |
| 429 | K | A | 0.0000 | |
| 430 | S | A | -0.1838 | |
| 431 | G | A | -0.1146 | |
| 432 | M | A | 0.2165 | |
| 433 | F | A | 0.2497 | |
| 434 | L | A | 0.0000 | |
| 435 | T | A | 0.1603 | |
| 436 | L | A | 0.1567 | |
| 437 | F | A | 0.0000 | |
| 438 | V | A | 0.0000 | |
| 439 | N | A | 0.0000 | |
| 440 | T | A | 0.0000 | |
| 441 | L | A | 0.0000 | |
| 442 | L | A | 0.0000 | |
| 443 | N | A | 0.0000 | |
| 444 | I | A | 0.0000 | |
| 445 | T | A | 0.0000 | |
| 446 | I | A | 0.0000 | |
| 447 | A | A | 0.0000 | |
| 448 | S | A | 0.0000 | |
| 449 | R | A | 0.0000 | |
| 450 | V | A | 0.0000 | |
| 451 | L | A | 0.0000 | |
| 452 | E | A | -1.8878 | |
| 453 | D | A | -2.2681 | |
| 454 | R | A | -1.6350 | |
| 455 | L | A | 0.0000 | |
| 456 | T | A | -1.7023 | |
| 457 | K | A | -2.3033 | |
| 458 | S | A | 0.0000 | |
| 459 | A | A | -0.7186 | |
| 460 | C | A | 0.0000 | |
| 461 | A | A | 0.0000 | |
| 462 | A | A | 0.0000 | |
| 463 | F | A | 0.0000 | |
| 464 | I | A | 0.0000 | |
| 465 | G | A | -0.7277 | |
| 466 | D | A | -1.8281 | |
| 467 | D | A | -1.3234 | |
| 468 | N | A | -0.8218 | |
| 469 | I | A | 0.0000 | |
| 470 | I | A | 0.0000 | |
| 471 | H | A | 0.0000 | |
| 472 | G | A | -0.5359 | |
| 473 | V | A | 0.0000 | |
| 474 | V | A | 1.2788 | |
| 475 | S | A | 0.2167 | |
| 476 | D | A | -0.6075 | |
| 477 | E | A | -1.5573 | |
| 478 | L | A | -0.1362 | |
| 479 | M | A | 0.0000 | |
| 480 | A | A | -0.6504 | |
| 481 | A | A | -0.2321 | |
| 482 | R | A | -0.3164 | |
| 483 | C | A | 0.0000 | |
| 484 | A | A | -0.8661 | |
| 485 | T | A | -0.9352 | |
| 486 | W | A | -0.3125 | |
| 487 | M | A | 0.0000 | |
| 488 | N | A | 0.0000 | |
| 489 | M | A | 0.0000 | |
| 490 | E | A | -2.1615 | |
| 491 | V | A | -1.6789 | |
| 492 | K | A | -2.1461 | |
| 493 | I | A | -0.9127 | |
| 494 | I | A | -0.3985 | |
| 495 | D | A | -0.4182 | |
| 496 | A | A | 0.0000 | |
| 497 | V | A | -0.9349 | |
| 498 | V | A | 0.0000 | |
| 499 | S | A | -1.3276 | |
| 500 | Q | A | -1.6973 | |
| 501 | K | A | -1.2418 | |
| 502 | A | A | 0.0000 | |
| 503 | P | A | 0.0000 | |
| 504 | Y | A | -0.1567 | |
| 505 | F | A | 0.0000 | |
| 506 | C | A | 0.0965 | |
| 507 | G | A | 0.1128 | |
| 508 | G | A | 0.0000 | |
| 509 | F | A | 0.0000 | |
| 510 | I | A | 0.0000 | |
| 511 | L | A | 0.0000 | |
| 512 | H | A | 0.0000 | |
| 513 | D | A | 0.0000 | |
| 514 | I | A | 2.5670 | |
| 515 | V | A | 2.6892 | |
| 516 | T | A | 1.6429 | |
| 517 | G | A | 1.0640 | |
| 518 | T | A | 0.7580 | |
| 519 | A | A | 0.0000 | |
| 520 | C | A | 0.0000 | |
| 521 | R | A | 0.0000 | |
| 522 | V | A | 0.0000 | |
| 523 | A | A | 0.0000 | |
| 524 | D | A | 0.0000 | |
| 525 | P | A | 0.0000 | |
| 526 | L | A | 0.0000 | |
| 527 | K | A | -0.4499 | |
| 528 | R | A | -0.4973 | |
| 529 | L | A | 0.0000 | |
| 530 | F | A | 0.0000 | |
| 531 | K | A | -0.5015 | |
| 532 | L | A | -0.4671 | |
| 533 | G | A | 0.0000 | |
| 534 | K | A | -0.6593 | |
| 535 | P | A | 0.0000 | |
| 536 | L | A | 0.0233 | |
| 537 | A | A | -0.1525 | |
| 538 | A | A | -0.1016 | |
| 539 | G | A | -1.1014 | |
| 540 | D | A | -1.6930 | |
| 541 | E | A | -2.7903 | |
| 542 | Q | A | -2.4727 | |
| 543 | D | A | -2.7449 | |
| 544 | E | A | -2.9260 | |
| 545 | D | A | -2.6547 | |
| 546 | R | A | -2.3851 | |
| 547 | R | A | -2.6416 | |
| 548 | R | A | -2.7999 | |
| 549 | A | A | -2.0415 | |
| 550 | L | A | 0.0000 | |
| 551 | A | A | -1.3596 | |
| 552 | D | A | -1.8914 | |
| 553 | E | A | 0.0000 | |
| 554 | V | A | 0.0000 | |
| 555 | V | A | 0.2241 | |
| 556 | R | A | -0.1309 | |
| 557 | W | A | 0.0000 | |
| 558 | Q | A | 0.0000 | |
| 559 | R | A | 0.0000 | |
| 560 | T | A | 0.4020 | |
| 561 | G | A | 0.0000 | |
| 562 | L | A | 0.0000 | |
| 563 | I | A | -0.2775 | |
| 564 | D | A | -1.7683 | |
| 565 | E | A | 0.0000 | |
| 566 | L | A | 0.0000 | |
| 567 | E | A | -1.9224 | |
| 568 | K | A | -2.4988 | |
| 569 | A | A | 0.0000 | |
| 570 | V | A | 0.0000 | |
| 571 | Y | A | -1.3637 | |
| 572 | S | A | -1.2051 | |
| 573 | R | A | -0.9422 | |
| 574 | Y | A | -0.9070 | |
| 575 | E | A | -2.0616 | |
| 576 | V | A | 0.0000 | |
| 577 | Q | A | -2.0237 | |
| 578 | G | A | -0.9370 | |
| 579 | I | A | 0.0000 | |
| 580 | S | A | -0.2459 | |
| 581 | V | A | 0.4202 | |
| 582 | V | A | 0.0000 | |
| 583 | V | A | 0.0000 | |
| 584 | M | A | -0.2517 | |
| 585 | S | A | 0.0000 | |
| 586 | M | A | 0.0000 | |
| 587 | A | A | -0.4602 | |
| 588 | T | A | 0.0000 | |
| 589 | F | A | 0.0000 | |
| 590 | A | A | 0.0000 | |
| 591 | S | A | -1.0666 | |
| 592 | S | A | -1.5066 | |
| 593 | R | A | -2.6947 | |
| 594 | S | A | -1.8076 | |
| 595 | N | A | -2.0025 | |
| 596 | F | A | 0.0000 | |
| 597 | E | A | -2.9052 | |
| 598 | K | A | -2.3186 | |
| 599 | L | A | 0.0000 | |
| 600 | R | A | -1.1266 | |
| 601 | G | A | -0.5641 | |
| 602 | P | A | 0.4702 | |
| 603 | V | A | 1.7227 | |
| 604 | V | A | 1.2097 | |
| 605 | T | A | 0.4372 | |
| 606 | L | A | -0.4750 | |
| 607 | Y | A | -0.8147 | |
| 608 | G | A | -1.3559 | |
| 609 | G | A | -1.2564 | |
| 610 | P | A | -1.2924 | |
| 611 | K | A | -1.9543 |
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 | -0.6009 | 3.881 | View | CSV | PDB |
| 4.5 | -0.658 | 3.8394 | View | CSV | PDB |
| 5.0 | -0.7308 | 3.7924 | View | CSV | PDB |
| 5.5 | -0.8044 | 3.7434 | View | CSV | PDB |
| 6.0 | -0.8622 | 3.6937 | View | CSV | PDB |
| 6.5 | -0.8938 | 3.6439 | View | CSV | PDB |
| 7.0 | -0.8984 | 3.5943 | View | CSV | PDB |
| 7.5 | -0.8839 | 3.5454 | View | CSV | PDB |
| 8.0 | -0.8586 | 3.4988 | View | CSV | PDB |
| 8.5 | -0.8265 | 3.4582 | View | CSV | PDB |
| 9.0 | -0.7881 | 3.429 | 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