| Chain sequence(s) |
A: MKIKTGARILALSALTTMMFSASALAKIEEGKLVIWINGDKGYNGLAEVGKKFEKDTGIKVTVEHPDKLEEKFPQVAATGDGPDIIFWAHDRFGGYAQSGLLAEITPDKAFQDKLYPFTWDAVRYNGKLIAYPIAVEALSLIYNKDLLPNPPKTWEEIPALDKELKAKGKSALMFNLQEPYFTWPLIAADGGYAFKYENGKYDIKDVGVDNAGAKAGLTFLVDLIKNKHMNADTDYSIAEAAFNKGETAMTINGPWAWSNIDTSKVNYGVTVLPTFKGQPSKPFVGVLSAGINAASPNKELAKEFLENYLLTDEGLEAVNKDKPLGAVALKSYEEELAKDPRIAATMENAQKGEIMPNIPQMSAFWYAVRTAVINAASGRQTVDEALKDAQTRITKGSSHHHHHHSSGENLYFQGAMAVGFLSNTTSSGDTWIDGYRSMNATVTKAAKVENGFKFTGPGSRATWPVNSRWDIKQYGFVDYNFTIVAMATIHQVPSESTPLLGASLRGNKRTKLIGLSYGAGGKWETVYDGTKTVQGGTWEPGREYQVALMLQDGNKGFVYVDGKLKGNPAMLPTPEERWTEFSHFYFGGDEGDSGSDATLTDVFLYNR
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. (00:00:02)
[INFO] FoldX: Starting FoldX energy minimization (00:00:03)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:09:12)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/823fb85f329cd14/tmp/folded.pdb (00:09:12)
[INFO] Main: Simulation completed successfully. (00:11:58)
|
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 | 0.6532 | |
| 2 | K | A | -0.5610 | |
| 3 | I | A | 0.5371 | |
| 4 | K | A | -1.1949 | |
| 5 | T | A | -0.6753 | |
| 6 | G | A | -1.2819 | |
| 7 | A | A | -0.6360 | |
| 8 | R | A | -0.5839 | |
| 9 | I | A | 2.0582 | |
| 10 | L | A | 2.5943 | |
| 11 | A | A | 1.8194 | |
| 12 | L | A | 2.3638 | |
| 13 | S | A | 1.1949 | |
| 14 | A | A | 1.1218 | |
| 15 | L | A | 1.7920 | |
| 16 | T | A | 1.0815 | |
| 17 | T | A | 1.4336 | |
| 18 | M | A | 2.2625 | |
| 19 | M | A | 2.4426 | |
| 20 | F | A | 2.6463 | |
| 21 | S | A | 1.1892 | |
| 22 | A | A | 0.8647 | |
| 23 | S | A | 0.5071 | |
| 24 | A | A | 0.4763 | |
| 25 | L | A | 1.0854 | |
| 26 | A | A | -0.2499 | |
| 27 | K | A | -1.8879 | |
| 28 | I | A | 0.0000 | |
| 29 | E | A | -3.2972 | |
| 30 | E | A | -3.1977 | |
| 31 | G | A | -2.0315 | |
| 32 | K | A | -2.0208 | |
| 33 | L | A | 0.0000 | |
| 34 | V | A | -0.3368 | |
| 35 | I | A | 0.0000 | |
| 36 | W | A | 0.0000 | |
| 37 | I | A | 0.0000 | |
| 38 | N | A | -2.0976 | |
| 39 | G | A | -2.3035 | |
| 40 | D | A | -2.3642 | |
| 41 | K | A | -1.8773 | |
| 42 | G | A | 0.0000 | |
| 43 | Y | A | -1.5087 | |
| 44 | N | A | -1.9783 | |
| 45 | G | A | 0.0000 | |
| 46 | L | A | 0.0000 | |
| 47 | A | A | -1.8660 | |
| 48 | E | A | -3.1603 | |
| 49 | V | A | 0.0000 | |
| 50 | G | A | 0.0000 | |
| 51 | K | A | -4.3311 | |
| 52 | K | A | -4.0813 | |
| 53 | F | A | 0.0000 | |
| 54 | E | A | -4.1552 | |
| 55 | K | A | -4.0575 | |
| 56 | D | A | -3.0716 | |
| 57 | T | A | -2.1403 | |
| 58 | G | A | -2.3711 | |
| 59 | I | A | -2.2502 | |
| 60 | K | A | -2.6142 | |
| 61 | V | A | 0.0000 | |
| 62 | T | A | -0.5695 | |
| 63 | V | A | -0.5856 | |
| 64 | E | A | -1.4558 | |
| 65 | H | A | -2.2030 | |
| 66 | P | A | -2.1994 | |
| 67 | D | A | -3.3774 | |
| 68 | K | A | -3.5552 | |
| 69 | L | A | 0.0000 | |
| 70 | E | A | -2.6286 | |
| 71 | E | A | -3.3058 | |
| 72 | K | A | -2.8307 | |
| 73 | F | A | 0.0000 | |
| 74 | P | A | -1.5229 | |
| 75 | Q | A | -1.8567 | |
| 76 | V | A | -1.0264 | |
| 77 | A | A | 0.0000 | |
| 78 | A | A | -0.4575 | |
| 79 | T | A | -0.3358 | |
| 80 | G | A | -0.5007 | |
| 81 | D | A | -0.9874 | |
| 82 | G | A | -0.8507 | |
| 83 | P | A | 0.0000 | |
| 84 | D | A | 0.0000 | |
| 85 | I | A | 0.0000 | |
| 86 | I | A | 0.0000 | |
| 87 | F | A | 0.0000 | |
| 88 | W | A | -0.3537 | |
| 89 | A | A | -0.5438 | |
| 90 | H | A | 0.0000 | |
| 91 | D | A | -0.9340 | |
| 92 | R | A | -1.8459 | |
| 93 | F | A | 0.0000 | |
| 94 | G | A | 0.0000 | |
| 95 | G | A | -1.2971 | |
| 96 | Y | A | 0.0000 | |
| 97 | A | A | -1.5730 | |
| 98 | Q | A | -1.5389 | |
| 99 | S | A | -0.9287 | |
| 100 | G | A | -1.0925 | |
| 101 | L | A | 0.0000 | |
| 102 | L | A | 0.0000 | |
| 103 | A | A | -1.2004 | |
| 104 | E | A | -2.3191 | |
| 105 | I | A | 0.0000 | |
| 106 | T | A | -1.4770 | |
| 107 | P | A | 0.0000 | |
| 108 | D | A | -2.9413 | |
| 109 | K | A | -3.2765 | |
| 110 | A | A | -2.2483 | |
| 111 | F | A | 0.0000 | |
| 112 | Q | A | -2.6314 | |
| 113 | D | A | -3.2147 | |
| 114 | K | A | -2.3965 | |
| 115 | L | A | 0.0000 | |
| 116 | Y | A | -0.9595 | |
| 117 | P | A | -0.9300 | |
| 118 | F | A | -0.4429 | |
| 119 | T | A | 0.0000 | |
| 120 | W | A | 0.0000 | |
| 121 | D | A | -1.3703 | |
| 122 | A | A | 0.0000 | |
| 123 | V | A | 0.0000 | |
| 124 | R | A | -1.9628 | |
| 125 | Y | A | -2.0357 | |
| 126 | N | A | -2.5983 | |
| 127 | G | A | -2.5629 | |
| 128 | K | A | -2.7661 | |
| 129 | L | A | 0.0000 | |
| 130 | I | A | 0.0000 | |
| 131 | A | A | 0.0000 | |
| 132 | Y | A | 0.0000 | |
| 133 | P | A | 0.0000 | |
| 134 | I | A | 0.0000 | |
| 135 | A | A | 0.0000 | |
| 136 | V | A | 0.0000 | |
| 137 | E | A | -0.8846 | |
| 138 | A | A | 0.0000 | |
| 139 | L | A | 0.0000 | |
| 140 | S | A | 0.0000 | |
| 141 | L | A | 0.0000 | |
| 142 | I | A | 0.0000 | |
| 143 | Y | A | -0.5049 | |
| 144 | N | A | 0.0000 | |
| 145 | K | A | -2.0330 | |
| 146 | D | A | -2.2852 | |
| 147 | L | A | -1.3744 | |
| 148 | L | A | 0.0000 | |
| 149 | P | A | -1.5761 | |
| 150 | N | A | -1.9195 | |
| 151 | P | A | -1.1531 | |
| 152 | P | A | 0.0000 | |
| 153 | K | A | -2.0754 | |
| 154 | T | A | -1.7938 | |
| 155 | W | A | 0.0000 | |
| 156 | E | A | -1.6760 | |
| 157 | E | A | -1.3553 | |
| 158 | I | A | 0.0000 | |
| 159 | P | A | -1.4822 | |
| 160 | A | A | -1.2082 | |
| 161 | L | A | -1.3519 | |
| 162 | D | A | 0.0000 | |
| 163 | K | A | -3.2721 | |
| 164 | E | A | -3.3343 | |
| 165 | L | A | 0.0000 | |
| 166 | K | A | -3.0350 | |
| 167 | A | A | -2.4597 | |
| 168 | K | A | -2.9393 | |
| 169 | G | A | -2.3981 | |
| 170 | K | A | -2.6085 | |
| 171 | S | A | -1.7525 | |
| 172 | A | A | 0.0000 | |
| 173 | L | A | 0.0000 | |
| 174 | M | A | -0.0990 | |
| 175 | F | A | 0.0000 | |
| 176 | N | A | 0.0000 | |
| 177 | L | A | 0.0000 | |
| 178 | Q | A | -1.1201 | |
| 179 | E | A | -0.9573 | |
| 180 | P | A | 0.0000 | |
| 181 | Y | A | -0.0969 | |
| 182 | F | A | 0.0000 | |
| 183 | T | A | 0.0000 | |
| 184 | W | A | 0.0000 | |
| 185 | P | A | 0.0000 | |
| 186 | L | A | 0.0000 | |
| 187 | I | A | 0.0000 | |
| 188 | A | A | 0.0000 | |
| 189 | A | A | 0.0000 | |
| 190 | D | A | -1.7281 | |
| 191 | G | A | -0.8885 | |
| 192 | G | A | 0.0000 | |
| 193 | Y | A | -0.2652 | |
| 194 | A | A | 0.0000 | |
| 195 | F | A | 0.0000 | |
| 196 | K | A | -1.9896 | |
| 197 | Y | A | -2.0104 | |
| 198 | E | A | -3.1810 | |
| 199 | N | A | -2.9862 | |
| 200 | G | A | -2.7442 | |
| 201 | K | A | -3.4183 | |
| 202 | Y | A | -2.4330 | |
| 203 | D | A | -3.0173 | |
| 204 | I | A | -1.8999 | |
| 205 | K | A | -2.7004 | |
| 206 | D | A | -2.0031 | |
| 207 | V | A | 0.0000 | |
| 208 | G | A | 0.0000 | |
| 209 | V | A | 0.0000 | |
| 210 | D | A | -1.7970 | |
| 211 | N | A | -1.1892 | |
| 212 | A | A | -0.7329 | |
| 213 | G | A | 0.0000 | |
| 214 | A | A | 0.0000 | |
| 215 | K | A | -1.2273 | |
| 216 | A | A | -0.7231 | |
| 217 | G | A | 0.0000 | |
| 218 | L | A | 0.0000 | |
| 219 | T | A | -0.3725 | |
| 220 | F | A | -0.2956 | |
| 221 | L | A | 0.0000 | |
| 222 | V | A | -1.1017 | |
| 223 | D | A | -1.8449 | |
| 224 | L | A | 0.0000 | |
| 225 | I | A | 0.0000 | |
| 226 | K | A | -3.3348 | |
| 227 | N | A | -3.2506 | |
| 228 | K | A | -3.4385 | |
| 229 | H | A | 0.0000 | |
| 230 | M | A | 0.0000 | |
| 231 | N | A | -2.6721 | |
| 232 | A | A | -2.0518 | |
| 233 | D | A | -2.1922 | |
| 234 | T | A | 0.0000 | |
| 235 | D | A | -0.8866 | |
| 236 | Y | A | 0.1981 | |
| 237 | S | A | 0.3605 | |
| 238 | I | A | 0.9172 | |
| 239 | A | A | 0.0000 | |
| 240 | E | A | -0.3884 | |
| 241 | A | A | -0.5734 | |
| 242 | A | A | -1.0210 | |
| 243 | F | A | 0.0000 | |
| 244 | N | A | -2.0935 | |
| 245 | K | A | -2.5666 | |
| 246 | G | A | -2.2089 | |
| 247 | E | A | -2.4652 | |
| 248 | T | A | 0.0000 | |
| 249 | A | A | 0.0000 | |
| 250 | M | A | 0.0000 | |
| 251 | T | A | 0.0000 | |
| 252 | I | A | 0.0000 | |
| 253 | N | A | 0.0000 | |
| 254 | G | A | 0.0000 | |
| 255 | P | A | -0.0669 | |
| 256 | W | A | 0.1325 | |
| 257 | A | A | 0.0000 | |
| 258 | W | A | 0.0000 | |
| 259 | S | A | -1.1790 | |
| 260 | N | A | -1.9705 | |
| 261 | I | A | 0.0000 | |
| 262 | D | A | -2.4040 | |
| 263 | T | A | -1.7307 | |
| 264 | S | A | -2.0802 | |
| 265 | K | A | -2.6261 | |
| 266 | V | A | -2.0759 | |
| 267 | N | A | -1.7989 | |
| 268 | Y | A | -1.1457 | |
| 269 | G | A | -0.5663 | |
| 270 | V | A | 0.0000 | |
| 271 | T | A | -0.1781 | |
| 272 | V | A | -0.0826 | |
| 273 | L | A | 0.0000 | |
| 274 | P | A | 0.0000 | |
| 275 | T | A | -1.5393 | |
| 276 | F | A | 0.0000 | |
| 277 | K | A | -2.4611 | |
| 278 | G | A | -2.0157 | |
| 279 | Q | A | -1.8674 | |
| 280 | P | A | -1.3271 | |
| 281 | S | A | 0.0000 | |
| 282 | K | A | -1.2289 | |
| 283 | P | A | 0.0000 | |
| 284 | F | A | 0.0000 | |
| 285 | V | A | 0.0000 | |
| 286 | G | A | -0.3900 | |
| 287 | V | A | 0.0000 | |
| 288 | L | A | 0.0000 | |
| 289 | S | A | 0.0000 | |
| 290 | A | A | 0.0000 | |
| 291 | G | A | 0.0000 | |
| 292 | I | A | 0.0000 | |
| 293 | N | A | 0.0000 | |
| 294 | A | A | -0.5060 | |
| 295 | A | A | -0.4406 | |
| 296 | S | A | 0.0000 | |
| 297 | P | A | -1.6177 | |
| 298 | N | A | 0.0000 | |
| 299 | K | A | -2.0222 | |
| 300 | E | A | -2.4274 | |
| 301 | L | A | -1.5528 | |
| 302 | A | A | 0.0000 | |
| 303 | K | A | -2.0713 | |
| 304 | E | A | -2.1100 | |
| 305 | F | A | 0.0000 | |
| 306 | L | A | 0.0000 | |
| 307 | E | A | -1.3550 | |
| 308 | N | A | -1.7195 | |
| 309 | Y | A | -1.4570 | |
| 310 | L | A | 0.0000 | |
| 311 | L | A | 0.0000 | |
| 312 | T | A | -1.7115 | |
| 313 | D | A | -2.3887 | |
| 314 | E | A | -2.6140 | |
| 315 | G | A | 0.0000 | |
| 316 | L | A | 0.0000 | |
| 317 | E | A | -2.6106 | |
| 318 | A | A | -2.4698 | |
| 319 | V | A | 0.0000 | |
| 320 | N | A | -2.0551 | |
| 321 | K | A | -2.7396 | |
| 322 | D | A | -2.4693 | |
| 323 | K | A | -2.1998 | |
| 324 | P | A | -1.4365 | |
| 325 | L | A | -0.6975 | |
| 326 | G | A | 0.0000 | |
| 327 | A | A | 0.0000 | |
| 328 | V | A | 0.0000 | |
| 329 | A | A | 0.0000 | |
| 330 | L | A | 0.0000 | |
| 331 | K | A | -1.9989 | |
| 332 | S | A | -1.8273 | |
| 333 | Y | A | 0.0000 | |
| 334 | E | A | 0.0000 | |
| 335 | E | A | -3.2305 | |
| 336 | E | A | -3.3651 | |
| 337 | L | A | -2.1626 | |
| 338 | A | A | -2.1268 | |
| 339 | K | A | -2.8182 | |
| 340 | D | A | -1.8373 | |
| 341 | P | A | -1.0534 | |
| 342 | R | A | -0.8948 | |
| 343 | I | A | -1.1387 | |
| 344 | A | A | -1.2541 | |
| 345 | A | A | 0.0000 | |
| 346 | T | A | 0.0000 | |
| 347 | M | A | 0.0000 | |
| 348 | E | A | -1.8618 | |
| 349 | N | A | 0.0000 | |
| 350 | A | A | 0.0000 | |
| 351 | Q | A | -2.1152 | |
| 352 | K | A | -1.9400 | |
| 353 | G | A | -1.3150 | |
| 354 | E | A | -0.5009 | |
| 355 | I | A | -0.2099 | |
| 356 | M | A | 0.1844 | |
| 357 | P | A | 0.0000 | |
| 358 | N | A | 0.0000 | |
| 359 | I | A | -0.6537 | |
| 360 | P | A | -0.7428 | |
| 361 | Q | A | -0.2794 | |
| 362 | M | A | 0.0000 | |
| 363 | S | A | -0.0130 | |
| 364 | A | A | -0.3762 | |
| 365 | F | A | 0.0000 | |
| 366 | W | A | 0.0852 | |
| 367 | Y | A | 0.1323 | |
| 368 | A | A | 0.0000 | |
| 369 | V | A | 0.0000 | |
| 370 | R | A | -0.6451 | |
| 371 | T | A | -0.3569 | |
| 372 | A | A | 0.0000 | |
| 373 | V | A | 0.0000 | |
| 374 | I | A | -0.8197 | |
| 375 | N | A | -1.3867 | |
| 376 | A | A | 0.0000 | |
| 377 | A | A | 0.0000 | |
| 378 | S | A | -1.6190 | |
| 379 | G | A | -1.7337 | |
| 380 | R | A | -2.4912 | |
| 381 | Q | A | -2.1654 | |
| 382 | T | A | -1.9838 | |
| 383 | V | A | -1.9617 | |
| 384 | D | A | -3.3436 | |
| 385 | E | A | -3.6372 | |
| 386 | A | A | 0.0000 | |
| 387 | L | A | 0.0000 | |
| 388 | K | A | -3.4127 | |
| 389 | D | A | -2.4334 | |
| 390 | A | A | 0.0000 | |
| 391 | Q | A | -1.9645 | |
| 392 | T | A | -1.5483 | |
| 393 | R | A | -1.5535 | |
| 394 | I | A | 0.0000 | |
| 395 | T | A | -1.6972 | |
| 396 | K | A | -2.3524 | |
| 397 | G | A | -1.7729 | |
| 398 | S | A | 0.0000 | |
| 399 | S | A | -2.2576 | |
| 400 | H | A | -2.5749 | |
| 401 | H | A | -2.6137 | |
| 402 | H | A | -2.6695 | |
| 403 | H | A | -2.7278 | |
| 404 | H | A | -2.6533 | |
| 405 | H | A | -2.1016 | |
| 406 | S | A | -1.5247 | |
| 407 | S | A | -1.4631 | |
| 408 | G | A | -2.3919 | |
| 409 | E | A | -2.7811 | |
| 410 | N | A | -1.9779 | |
| 411 | L | A | -0.0543 | |
| 412 | Y | A | 0.9720 | |
| 413 | F | A | 0.6529 | |
| 414 | Q | A | -0.5293 | |
| 415 | G | A | -1.1356 | |
| 416 | A | A | -0.1164 | |
| 417 | M | A | 0.8222 | |
| 418 | A | A | 0.6748 | |
| 419 | V | A | 0.3480 | |
| 420 | G | A | 0.0000 | |
| 421 | F | A | 0.0000 | |
| 422 | L | A | 0.0000 | |
| 423 | S | A | -1.0679 | |
| 424 | N | A | -2.0195 | |
| 425 | T | A | -1.4855 | |
| 426 | T | A | -0.8970 | |
| 427 | S | A | -0.8837 | |
| 428 | S | A | -0.9496 | |
| 429 | G | A | -1.6258 | |
| 430 | D | A | -1.9534 | |
| 431 | T | A | -1.1213 | |
| 432 | W | A | 0.0000 | |
| 433 | I | A | -0.3982 | |
| 434 | D | A | 0.0000 | |
| 435 | G | A | -0.5080 | |
| 436 | Y | A | -0.0230 | |
| 437 | R | A | -1.0228 | |
| 438 | S | A | -0.6917 | |
| 439 | M | A | -0.5273 | |
| 440 | N | A | -0.4990 | |
| 441 | A | A | 0.0000 | |
| 442 | T | A | -0.5690 | |
| 443 | V | A | 0.0000 | |
| 444 | T | A | -1.3720 | |
| 445 | K | A | -2.3729 | |
| 446 | A | A | -1.8105 | |
| 447 | A | A | -1.4849 | |
| 448 | K | A | -2.6910 | |
| 449 | V | A | -1.6925 | |
| 450 | E | A | -2.6238 | |
| 451 | N | A | -2.0823 | |
| 452 | G | A | 0.0000 | |
| 453 | F | A | 0.0000 | |
| 454 | K | A | -1.6720 | |
| 455 | F | A | 0.0000 | |
| 456 | T | A | -1.1727 | |
| 457 | G | A | -0.8096 | |
| 458 | P | A | -0.9584 | |
| 459 | G | A | -1.3622 | |
| 460 | S | A | 0.0000 | |
| 461 | R | A | -1.3714 | |
| 462 | A | A | 0.0000 | |
| 463 | T | A | -0.4863 | |
| 464 | W | A | 0.0000 | |
| 465 | P | A | -0.2544 | |
| 466 | V | A | 0.0000 | |
| 467 | N | A | -1.0501 | |
| 468 | S | A | -1.0490 | |
| 469 | R | A | -1.7802 | |
| 470 | W | A | -0.2117 | |
| 471 | D | A | -1.2782 | |
| 472 | I | A | 0.2970 | |
| 473 | K | A | -1.1738 | |
| 474 | Q | A | -0.8196 | |
| 475 | Y | A | 0.0000 | |
| 476 | G | A | -0.4764 | |
| 477 | F | A | 0.0480 | |
| 478 | V | A | 0.0000 | |
| 479 | D | A | 0.0000 | |
| 480 | Y | A | 0.0664 | |
| 481 | N | A | -0.9022 | |
| 482 | F | A | 0.0000 | |
| 483 | T | A | 0.0000 | |
| 484 | I | A | 0.0000 | |
| 485 | V | A | 0.0000 | |
| 486 | A | A | 0.0000 | |
| 487 | M | A | -0.7654 | |
| 488 | A | A | 0.0000 | |
| 489 | T | A | -1.8104 | |
| 490 | I | A | 0.0000 | |
| 491 | H | A | -1.5876 | |
| 492 | Q | A | -1.0447 | |
| 493 | V | A | 0.2356 | |
| 494 | P | A | -0.4127 | |
| 495 | S | A | -0.9106 | |
| 496 | E | A | -1.7993 | |
| 497 | S | A | -0.9592 | |
| 498 | T | A | 0.0000 | |
| 499 | P | A | 0.0000 | |
| 500 | L | A | 0.0000 | |
| 501 | L | A | 0.0000 | |
| 502 | G | A | 0.0000 | |
| 503 | A | A | 0.0000 | |
| 504 | S | A | 0.0000 | |
| 505 | L | A | 0.0000 | |
| 506 | R | A | -2.4373 | |
| 507 | G | A | -2.2961 | |
| 508 | N | A | -2.6837 | |
| 509 | K | A | -2.9363 | |
| 510 | R | A | -2.5536 | |
| 511 | T | A | -1.8329 | |
| 512 | K | A | -1.3784 | |
| 513 | L | A | 0.0000 | |
| 514 | I | A | 0.0000 | |
| 515 | G | A | 0.0000 | |
| 516 | L | A | 0.0000 | |
| 517 | S | A | 0.0000 | |
| 518 | Y | A | 0.0000 | |
| 519 | G | A | 0.0000 | |
| 520 | A | A | -0.6960 | |
| 521 | G | A | -0.8460 | |
| 522 | G | A | 0.0000 | |
| 523 | K | A | -1.0301 | |
| 524 | W | A | 0.0000 | |
| 525 | E | A | 0.0000 | |
| 526 | T | A | 0.0000 | |
| 527 | V | A | 0.0000 | |
| 528 | Y | A | -0.8790 | |
| 529 | D | A | -1.7170 | |
| 530 | G | A | -1.7306 | |
| 531 | T | A | -1.2778 | |
| 532 | K | A | -1.1058 | |
| 533 | T | A | 0.0805 | |
| 534 | V | A | 0.9681 | |
| 535 | Q | A | -0.2724 | |
| 536 | G | A | -0.7302 | |
| 537 | G | A | -0.8686 | |
| 538 | T | A | -1.2811 | |
| 539 | W | A | 0.0000 | |
| 540 | E | A | -2.5911 | |
| 541 | P | A | -1.8211 | |
| 542 | G | A | -2.0615 | |
| 543 | R | A | -2.4422 | |
| 544 | E | A | -2.7947 | |
| 545 | Y | A | 0.0000 | |
| 546 | Q | A | -1.6540 | |
| 547 | V | A | 0.0000 | |
| 548 | A | A | 0.0000 | |
| 549 | L | A | 0.0000 | |
| 550 | M | A | -0.2818 | |
| 551 | L | A | 0.0000 | |
| 552 | Q | A | -1.4533 | |
| 553 | D | A | -2.0366 | |
| 554 | G | A | 0.0000 | |
| 555 | N | A | -0.9444 | |
| 556 | K | A | -1.0080 | |
| 557 | G | A | 0.0000 | |
| 558 | F | A | -0.0854 | |
| 559 | V | A | 0.0000 | |
| 560 | Y | A | -0.5637 | |
| 561 | V | A | 0.0000 | |
| 562 | D | A | -2.3615 | |
| 563 | G | A | -1.7126 | |
| 564 | K | A | -2.4246 | |
| 565 | L | A | -0.7879 | |
| 566 | K | A | -0.8939 | |
| 567 | G | A | -0.9890 | |
| 568 | N | A | -1.2811 | |
| 569 | P | A | -0.5907 | |
| 570 | A | A | -0.2642 | |
| 571 | M | A | 0.3702 | |
| 572 | L | A | 0.0000 | |
| 573 | P | A | -0.9865 | |
| 574 | T | A | -1.2738 | |
| 575 | P | A | -1.2644 | |
| 576 | E | A | -2.3973 | |
| 577 | E | A | -2.3909 | |
| 578 | R | A | 0.0000 | |
| 579 | W | A | -0.2279 | |
| 580 | T | A | -0.6608 | |
| 581 | E | A | -0.7005 | |
| 582 | F | A | 0.0000 | |
| 583 | S | A | -1.0832 | |
| 584 | H | A | 0.0000 | |
| 585 | F | A | 0.0000 | |
| 586 | Y | A | 0.0000 | |
| 587 | F | A | 0.0000 | |
| 588 | G | A | 0.0000 | |
| 589 | G | A | 0.0000 | |
| 590 | D | A | 0.0000 | |
| 591 | E | A | -2.3348 | |
| 592 | G | A | -1.6703 | |
| 593 | D | A | -1.4021 | |
| 594 | S | A | -1.2336 | |
| 595 | G | A | 0.0000 | |
| 596 | S | A | 0.0000 | |
| 597 | D | A | -0.9967 | |
| 598 | A | A | 0.0000 | |
| 599 | T | A | -0.8949 | |
| 600 | L | A | 0.0000 | |
| 601 | T | A | -0.9861 | |
| 602 | D | A | -1.1637 | |
| 603 | V | A | 0.0000 | |
| 604 | F | A | 0.5954 | |
| 605 | L | A | 0.0000 | |
| 606 | Y | A | 0.0570 | |
| 607 | N | A | -0.7333 | |
| 608 | R | A | -0.9282 |
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 | -0.7646 | 4.8458 | View | CSV | PDB |
| 4.5 | -0.8302 | 4.8458 | View | CSV | PDB |
| 5.0 | -0.9085 | 4.8458 | View | CSV | PDB |
| 5.5 | -0.9828 | 4.8458 | View | CSV | PDB |
| 6.0 | -1.0344 | 4.8458 | View | CSV | PDB |
| 6.5 | -1.0503 | 4.8458 | View | CSV | PDB |
| 7.0 | -1.0319 | 4.8458 | View | CSV | PDB |
| 7.5 | -0.9909 | 4.8458 | View | CSV | PDB |
| 8.0 | -0.9377 | 4.8458 | View | CSV | PDB |
| 8.5 | -0.8754 | 4.8458 | View | CSV | PDB |
| 9.0 | -0.8044 | 4.8458 | 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