| Chain sequence(s) |
A: AKFVAAWTLKAAAEAAAKLTAREIAPKAAYHMREVEADFAAYVYYADVEGFAAYDVIGFPALAAAYLLVGTTLEVAAYVEGTVQFAWAAYVVYEHFGGKAAYRVRVERVALAAAYRLKDEIVAAAAYSPGCVRFVTLAAYAFLYGIAAHKAAYYPAETLPERWAAYAVLWRYALRAAYVLWRYALRLAAYEARRVVAARAAYSAEVEALEALAAYTSIEEIAQRAAYAQVETAIAVGSGATNFSLLKQAGDVEENPGPGIGNQANYAASKAGVIGGPGPGVYRLAYRLSGNQHDAEDLGPGPGRRHHRQLHRLARLTSRTSGPGPGEDLKLLGVHIFGTGPGPGGIGLAIAQRLAADGHKVGPGPGAVVAEAVAGDRNALREVGPGPGVVENLNADADVAGTQTGPGPGRRSARFRNVVGSTDQSGTGPGPGGNRHRLVLDDVLAYREARGSGATNFSLLKQAGDVEENPGPMDAMKRGLCCVLLLCGAVFVSPSGGSGGTAQVETAIAVQRALMRLPVEQRAAVVAVDMQGYSIADTARMLGVAEGTVKSRCARARARLARLLGSGHHHHHH
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. (00:00:02)
[INFO] FoldX: Starting FoldX energy minimization (00:00:02)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:07:13)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/43bed450f70397d/tmp/folded.pdb (00:07:13)
[INFO] Main: Simulation completed successfully. (00:09:31)
|
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 | A | A | 0.2998 | |
| 2 | K | A | -0.1375 | |
| 3 | F | A | 2.2821 | |
| 4 | V | A | 2.2817 | |
| 5 | A | A | 1.2934 | |
| 6 | A | A | 1.3491 | |
| 7 | W | A | 1.8664 | |
| 8 | T | A | 1.2389 | |
| 9 | L | A | 1.2872 | |
| 10 | K | A | -0.8245 | |
| 11 | A | A | -0.5716 | |
| 12 | A | A | -0.1375 | |
| 13 | A | A | -0.8844 | |
| 14 | E | A | -2.1132 | |
| 15 | A | A | -0.9695 | |
| 16 | A | A | -0.8067 | |
| 17 | A | A | -0.9871 | |
| 18 | K | A | -1.7201 | |
| 19 | L | A | -0.6222 | |
| 20 | T | A | -1.0525 | |
| 21 | A | A | -1.1814 | |
| 22 | R | A | -2.5902 | |
| 23 | E | A | -2.3829 | |
| 24 | I | A | -1.2244 | |
| 25 | A | A | -0.9618 | |
| 26 | P | A | -1.2961 | |
| 27 | K | A | -1.9729 | |
| 28 | A | A | -0.8553 | |
| 29 | A | A | -0.4750 | |
| 30 | Y | A | -0.1646 | |
| 31 | H | A | -1.1431 | |
| 32 | M | A | -1.2589 | |
| 33 | R | A | -2.6069 | |
| 34 | E | A | -2.0448 | |
| 35 | V | A | -1.5077 | |
| 36 | E | A | -2.6302 | |
| 37 | A | A | -1.6518 | |
| 38 | D | A | -1.5527 | |
| 39 | F | A | -0.2208 | |
| 40 | A | A | 0.1966 | |
| 41 | A | A | 0.3279 | |
| 42 | Y | A | 0.7344 | |
| 43 | V | A | 1.4392 | |
| 44 | Y | A | 1.6732 | |
| 45 | Y | A | 1.0763 | |
| 46 | A | A | 0.0000 | |
| 47 | D | A | -0.1788 | |
| 48 | V | A | 1.1074 | |
| 49 | E | A | -0.2890 | |
| 50 | G | A | -0.2503 | |
| 51 | F | A | 0.9176 | |
| 52 | A | A | 0.7015 | |
| 53 | A | A | 1.0767 | |
| 54 | Y | A | 1.7167 | |
| 55 | D | A | 0.3790 | |
| 56 | V | A | 1.7995 | |
| 57 | I | A | 2.4627 | |
| 58 | G | A | 1.1183 | |
| 59 | F | A | 1.3326 | |
| 60 | P | A | 0.7413 | |
| 61 | A | A | 1.0046 | |
| 62 | L | A | 1.3638 | |
| 63 | A | A | 0.8064 | |
| 64 | A | A | 1.1224 | |
| 65 | A | A | 1.2822 | |
| 66 | Y | A | 0.0000 | |
| 67 | L | A | 1.9753 | |
| 68 | L | A | 2.1040 | |
| 69 | V | A | 1.2373 | |
| 70 | G | A | 0.7883 | |
| 71 | T | A | 0.9346 | |
| 72 | T | A | 1.1057 | |
| 73 | L | A | 0.6992 | |
| 74 | E | A | 0.3973 | |
| 75 | V | A | 1.5724 | |
| 76 | A | A | 1.0436 | |
| 77 | A | A | 0.7177 | |
| 78 | Y | A | 1.2887 | |
| 79 | V | A | 1.4231 | |
| 80 | E | A | 0.6147 | |
| 81 | G | A | 0.6125 | |
| 82 | T | A | 0.9181 | |
| 83 | V | A | 1.0297 | |
| 84 | Q | A | 0.4435 | |
| 85 | F | A | 1.8876 | |
| 86 | A | A | 1.6501 | |
| 87 | W | A | 1.5927 | |
| 88 | A | A | 1.6358 | |
| 89 | A | A | 2.0130 | |
| 90 | Y | A | 2.0145 | |
| 91 | V | A | 0.0000 | |
| 92 | V | A | 2.6152 | |
| 93 | Y | A | 2.3869 | |
| 94 | E | A | 0.3557 | |
| 95 | H | A | 0.4355 | |
| 96 | F | A | 1.5293 | |
| 97 | G | A | -0.1885 | |
| 98 | G | A | -1.3798 | |
| 99 | K | A | -2.0108 | |
| 100 | A | A | -1.3789 | |
| 101 | A | A | -0.8018 | |
| 102 | Y | A | -0.1337 | |
| 103 | R | A | -1.7958 | |
| 104 | V | A | -1.0859 | |
| 105 | R | A | -1.3712 | |
| 106 | V | A | 0.5011 | |
| 107 | E | A | -0.7174 | |
| 108 | R | A | -0.7851 | |
| 109 | V | A | 1.4715 | |
| 110 | A | A | 0.8769 | |
| 111 | L | A | 1.3555 | |
| 112 | A | A | 0.6615 | |
| 113 | A | A | 0.2819 | |
| 114 | A | A | 0.2287 | |
| 115 | Y | A | 0.0893 | |
| 116 | R | A | -1.8213 | |
| 117 | L | A | -0.7612 | |
| 118 | K | A | -1.0927 | |
| 119 | D | A | -2.2487 | |
| 120 | E | A | -2.1506 | |
| 121 | I | A | -0.2030 | |
| 122 | V | A | 0.6713 | |
| 123 | A | A | 0.1698 | |
| 124 | A | A | 0.4004 | |
| 125 | A | A | 0.0000 | |
| 126 | A | A | 1.2462 | |
| 127 | Y | A | 1.5107 | |
| 128 | S | A | 0.3102 | |
| 129 | P | A | -0.0969 | |
| 130 | G | A | -0.0821 | |
| 131 | C | A | 0.8618 | |
| 132 | V | A | 0.9725 | |
| 133 | R | A | 0.2183 | |
| 134 | F | A | 1.7689 | |
| 135 | V | A | 1.4971 | |
| 136 | T | A | 1.1900 | |
| 137 | L | A | 1.1599 | |
| 138 | A | A | 1.2882 | |
| 139 | A | A | 0.0000 | |
| 140 | Y | A | 0.0000 | |
| 141 | A | A | 1.2778 | |
| 142 | F | A | 2.3102 | |
| 143 | L | A | 0.0000 | |
| 144 | Y | A | 1.4143 | |
| 145 | G | A | 0.8767 | |
| 146 | I | A | 0.6561 | |
| 147 | A | A | 0.3911 | |
| 148 | A | A | 0.2156 | |
| 149 | H | A | -0.5907 | |
| 150 | K | A | -0.7048 | |
| 151 | A | A | -0.1068 | |
| 152 | A | A | 0.3908 | |
| 153 | Y | A | 1.2550 | |
| 154 | Y | A | 0.9652 | |
| 155 | P | A | -0.3358 | |
| 156 | A | A | -1.0734 | |
| 157 | E | A | -1.8925 | |
| 158 | T | A | -0.8974 | |
| 159 | L | A | 0.4107 | |
| 160 | P | A | -0.3121 | |
| 161 | E | A | -1.6439 | |
| 162 | R | A | -0.7863 | |
| 163 | W | A | 0.6496 | |
| 164 | A | A | 0.2864 | |
| 165 | A | A | 0.2928 | |
| 166 | Y | A | 1.6220 | |
| 167 | A | A | 1.2853 | |
| 168 | V | A | 1.5222 | |
| 169 | L | A | 1.7781 | |
| 170 | W | A | 1.7273 | |
| 171 | R | A | 0.6890 | |
| 172 | Y | A | 0.6725 | |
| 173 | A | A | 0.4805 | |
| 174 | L | A | 0.2546 | |
| 175 | R | A | -0.4239 | |
| 176 | A | A | 0.3007 | |
| 177 | A | A | 0.4500 | |
| 178 | Y | A | 0.5165 | |
| 179 | V | A | 0.7745 | |
| 180 | L | A | 1.4815 | |
| 181 | W | A | 0.8022 | |
| 182 | R | A | 0.3808 | |
| 183 | Y | A | 0.7474 | |
| 184 | A | A | 0.8221 | |
| 185 | L | A | 0.1530 | |
| 186 | R | A | -1.0357 | |
| 187 | L | A | 0.0637 | |
| 188 | A | A | -0.4207 | |
| 189 | A | A | -0.5662 | |
| 190 | Y | A | -0.3959 | |
| 191 | E | A | -1.6329 | |
| 192 | A | A | -1.0993 | |
| 193 | R | A | -2.0145 | |
| 194 | R | A | -2.3143 | |
| 195 | V | A | -0.6154 | |
| 196 | V | A | -0.8071 | |
| 197 | A | A | -1.0281 | |
| 198 | A | A | -0.6958 | |
| 199 | R | A | -1.6868 | |
| 200 | A | A | -0.5868 | |
| 201 | A | A | -0.2129 | |
| 202 | Y | A | -0.3070 | |
| 203 | S | A | -0.7082 | |
| 204 | A | A | -1.1372 | |
| 205 | E | A | -1.6846 | |
| 206 | V | A | -0.6530 | |
| 207 | E | A | -1.9630 | |
| 208 | A | A | -0.8362 | |
| 209 | L | A | 0.0240 | |
| 210 | E | A | -1.5592 | |
| 211 | A | A | -0.6122 | |
| 212 | L | A | 0.2215 | |
| 213 | A | A | -0.0482 | |
| 214 | A | A | 0.1403 | |
| 215 | Y | A | 0.1317 | |
| 216 | T | A | 0.0969 | |
| 217 | S | A | -0.0375 | |
| 218 | I | A | 0.7327 | |
| 219 | E | A | -1.9299 | |
| 220 | E | A | -2.0478 | |
| 221 | I | A | -0.8041 | |
| 222 | A | A | -1.1254 | |
| 223 | Q | A | -1.9714 | |
| 224 | R | A | -1.9875 | |
| 225 | A | A | -1.0985 | |
| 226 | A | A | -0.4869 | |
| 227 | Y | A | 0.2501 | |
| 228 | A | A | -0.3612 | |
| 229 | Q | A | -0.5709 | |
| 230 | V | A | 1.1601 | |
| 231 | E | A | -0.1357 | |
| 232 | T | A | 0.6259 | |
| 233 | A | A | 1.4476 | |
| 234 | I | A | 1.9281 | |
| 235 | A | A | 1.0100 | |
| 236 | V | A | 1.9828 | |
| 237 | G | A | 0.8625 | |
| 238 | S | A | 0.4776 | |
| 239 | G | A | 0.1274 | |
| 240 | A | A | 0.3819 | |
| 241 | T | A | 0.4115 | |
| 242 | N | A | 0.2373 | |
| 243 | F | A | 1.5717 | |
| 244 | S | A | 0.4703 | |
| 245 | L | A | 1.1479 | |
| 246 | L | A | 0.7988 | |
| 247 | K | A | -1.2936 | |
| 248 | Q | A | -1.1377 | |
| 249 | A | A | -0.6590 | |
| 250 | G | A | -1.5979 | |
| 251 | D | A | -2.0805 | |
| 252 | V | A | -0.8721 | |
| 253 | E | A | -2.8367 | |
| 254 | E | A | -3.1492 | |
| 255 | N | A | -2.6370 | |
| 256 | P | A | -1.5315 | |
| 257 | G | A | -0.9667 | |
| 258 | P | A | -0.6114 | |
| 259 | G | A | -0.4681 | |
| 260 | I | A | 0.5927 | |
| 261 | G | A | -0.7358 | |
| 262 | N | A | -1.5700 | |
| 263 | Q | A | -1.1329 | |
| 264 | A | A | -0.9327 | |
| 265 | N | A | -0.9926 | |
| 266 | Y | A | -0.1934 | |
| 267 | A | A | -0.4297 | |
| 268 | A | A | 0.0504 | |
| 269 | S | A | -0.0192 | |
| 270 | K | A | -1.1376 | |
| 271 | A | A | -0.1515 | |
| 272 | G | A | 0.2759 | |
| 273 | V | A | 2.0141 | |
| 274 | I | A | 2.0133 | |
| 275 | G | A | 0.3087 | |
| 276 | G | A | -0.2456 | |
| 277 | P | A | 0.0718 | |
| 278 | G | A | -0.1431 | |
| 279 | P | A | -0.5616 | |
| 280 | G | A | -0.3069 | |
| 281 | V | A | 0.5815 | |
| 282 | Y | A | -0.5027 | |
| 283 | R | A | -1.3193 | |
| 284 | L | A | 0.0351 | |
| 285 | A | A | -0.4685 | |
| 286 | Y | A | -1.0943 | |
| 287 | R | A | -1.2308 | |
| 288 | L | A | 0.6239 | |
| 289 | S | A | -0.7667 | |
| 290 | G | A | -1.1691 | |
| 291 | N | A | -2.0069 | |
| 292 | Q | A | -2.8493 | |
| 293 | H | A | -3.1293 | |
| 294 | D | A | -2.9143 | |
| 295 | A | A | 0.0000 | |
| 296 | E | A | -3.5542 | |
| 297 | D | A | -3.5736 | |
| 298 | L | A | -1.5355 | |
| 299 | G | A | -1.5824 | |
| 300 | P | A | -1.2430 | |
| 301 | G | A | -1.9970 | |
| 302 | P | A | -1.7107 | |
| 303 | G | A | -2.3933 | |
| 304 | R | A | -3.8253 | |
| 305 | R | A | -4.2025 | |
| 306 | H | A | -3.9119 | |
| 307 | H | A | -3.6273 | |
| 308 | R | A | -3.9798 | |
| 309 | Q | A | -3.1227 | |
| 310 | L | A | -1.5272 | |
| 311 | H | A | -2.6713 | |
| 312 | R | A | -2.9124 | |
| 313 | L | A | -0.8321 | |
| 314 | A | A | -1.2623 | |
| 315 | R | A | -2.4935 | |
| 316 | L | A | -0.9596 | |
| 317 | T | A | -1.1799 | |
| 318 | S | A | -1.4913 | |
| 319 | R | A | -2.3235 | |
| 320 | T | A | -1.1342 | |
| 321 | S | A | -1.1658 | |
| 322 | G | A | -1.2009 | |
| 323 | P | A | -1.0786 | |
| 324 | G | A | -1.1854 | |
| 325 | P | A | -1.4307 | |
| 326 | G | A | -1.9793 | |
| 327 | E | A | -2.7597 | |
| 328 | D | A | -1.9894 | |
| 329 | L | A | 0.0260 | |
| 330 | K | A | -0.6767 | |
| 331 | L | A | 1.3657 | |
| 332 | L | A | 2.0841 | |
| 333 | G | A | 1.3424 | |
| 334 | V | A | 2.3589 | |
| 335 | H | A | 1.4593 | |
| 336 | I | A | 2.7892 | |
| 337 | F | A | 2.5675 | |
| 338 | G | A | 0.7254 | |
| 339 | T | A | 0.0245 | |
| 340 | G | A | -0.7305 | |
| 341 | P | A | -0.8254 | |
| 342 | G | A | -0.8100 | |
| 343 | P | A | -0.3703 | |
| 344 | G | A | -0.1882 | |
| 345 | G | A | 0.6049 | |
| 346 | I | A | 2.2740 | |
| 347 | G | A | 1.4319 | |
| 348 | L | A | 1.9669 | |
| 349 | A | A | 1.3276 | |
| 350 | I | A | 2.0259 | |
| 351 | A | A | 0.9862 | |
| 352 | Q | A | -1.0387 | |
| 353 | R | A | -1.7080 | |
| 354 | L | A | -0.8769 | |
| 355 | A | A | -1.2439 | |
| 356 | A | A | -1.7776 | |
| 357 | D | A | -2.8006 | |
| 358 | G | A | -2.0319 | |
| 359 | H | A | -2.0997 | |
| 360 | K | A | -1.6843 | |
| 361 | V | A | 0.3683 | |
| 362 | G | A | -0.4473 | |
| 363 | P | A | -0.3304 | |
| 364 | G | A | -0.2960 | |
| 365 | P | A | -0.0151 | |
| 366 | G | A | 0.2566 | |
| 367 | A | A | 0.8129 | |
| 368 | V | A | 2.0437 | |
| 369 | V | A | 2.4726 | |
| 370 | A | A | 1.1072 | |
| 371 | E | A | -0.4842 | |
| 372 | A | A | 0.8500 | |
| 373 | V | A | 1.4740 | |
| 374 | A | A | -0.4201 | |
| 375 | G | A | -1.7346 | |
| 376 | D | A | -3.0796 | |
| 377 | R | A | -3.1164 | |
| 378 | N | A | -2.6081 | |
| 379 | A | A | -1.3703 | |
| 380 | L | A | -0.3742 | |
| 381 | R | A | -1.8237 | |
| 382 | E | A | -1.5615 | |
| 383 | V | A | 0.3871 | |
| 384 | G | A | -0.5346 | |
| 385 | P | A | -0.6098 | |
| 386 | G | A | -0.7097 | |
| 387 | P | A | -0.2009 | |
| 388 | G | A | 0.4248 | |
| 389 | V | A | 1.7840 | |
| 390 | V | A | 1.4852 | |
| 391 | E | A | -1.0010 | |
| 392 | N | A | -1.2127 | |
| 393 | L | A | -0.1906 | |
| 394 | N | A | -1.4083 | |
| 395 | A | A | -1.3672 | |
| 396 | D | A | -2.2341 | |
| 397 | A | A | -1.3643 | |
| 398 | D | A | -1.2722 | |
| 399 | V | A | 0.8406 | |
| 400 | A | A | 0.2658 | |
| 401 | G | A | -0.2974 | |
| 402 | T | A | -0.9201 | |
| 403 | Q | A | -1.4601 | |
| 404 | T | A | -0.9524 | |
| 405 | G | A | -1.0253 | |
| 406 | P | A | -0.8201 | |
| 407 | G | A | -0.9470 | |
| 408 | P | A | -1.2376 | |
| 409 | G | A | -1.9789 | |
| 410 | R | A | -3.0735 | |
| 411 | R | A | -3.1343 | |
| 412 | S | A | -1.9422 | |
| 413 | A | A | -0.9652 | |
| 414 | R | A | -1.5126 | |
| 415 | F | A | -0.1277 | |
| 416 | R | A | -1.4864 | |
| 417 | N | A | -0.4857 | |
| 418 | V | A | 1.4746 | |
| 419 | V | A | 2.0686 | |
| 420 | G | A | 0.6187 | |
| 421 | S | A | -0.5243 | |
| 422 | T | A | -1.4392 | |
| 423 | D | A | -2.4980 | |
| 424 | Q | A | -2.2910 | |
| 425 | S | A | -1.4281 | |
| 426 | G | A | -1.0013 | |
| 427 | T | A | -0.6228 | |
| 428 | G | A | -0.8232 | |
| 429 | P | A | -0.9360 | |
| 430 | G | A | -0.9970 | |
| 431 | P | A | -1.0695 | |
| 432 | G | A | -1.5335 | |
| 433 | G | A | -2.2652 | |
| 434 | N | A | -2.6676 | |
| 435 | R | A | -2.5294 | |
| 436 | H | A | -1.8721 | |
| 437 | R | A | -1.5819 | |
| 438 | L | A | 0.4042 | |
| 439 | V | A | 1.4244 | |
| 440 | L | A | 1.4430 | |
| 441 | D | A | -0.4813 | |
| 442 | D | A | -0.2159 | |
| 443 | V | A | 1.1843 | |
| 444 | L | A | -0.0946 | |
| 445 | A | A | -0.8434 | |
| 446 | Y | A | -0.4334 | |
| 447 | R | A | -2.6617 | |
| 448 | E | A | -2.8914 | |
| 449 | A | A | -1.8854 | |
| 450 | R | A | -3.0269 | |
| 451 | G | A | -2.4519 | |
| 452 | S | A | -1.8003 | |
| 453 | G | A | -1.2103 | |
| 454 | A | A | -0.6489 | |
| 455 | T | A | -0.2199 | |
| 456 | N | A | 0.0770 | |
| 457 | F | A | 1.7377 | |
| 458 | S | A | 0.8741 | |
| 459 | L | A | 1.7046 | |
| 460 | L | A | 1.3252 | |
| 461 | K | A | -0.8884 | |
| 462 | Q | A | -1.5366 | |
| 463 | A | A | -0.8360 | |
| 464 | G | A | -1.5773 | |
| 465 | D | A | -1.9243 | |
| 466 | V | A | -0.7271 | |
| 467 | E | A | -2.7139 | |
| 468 | E | A | -3.2040 | |
| 469 | N | A | -2.6525 | |
| 470 | P | A | -1.7100 | |
| 471 | G | A | -0.9124 | |
| 472 | P | A | -0.3991 | |
| 473 | M | A | 0.1817 | |
| 474 | D | A | -0.9337 | |
| 475 | A | A | -0.4891 | |
| 476 | M | A | -0.1853 | |
| 477 | K | A | -1.3180 | |
| 478 | R | A | -0.9916 | |
| 479 | G | A | 0.4271 | |
| 480 | L | A | 1.6224 | |
| 481 | C | A | 1.5297 | |
| 482 | C | A | 2.2521 | |
| 483 | V | A | 3.6447 | |
| 484 | L | A | 3.6043 | |
| 485 | L | A | 2.8013 | |
| 486 | L | A | 3.2783 | |
| 487 | C | A | 2.4443 | |
| 488 | G | A | 1.6187 | |
| 489 | A | A | 1.8549 | |
| 490 | V | A | 2.3746 | |
| 491 | F | A | 3.0924 | |
| 492 | V | A | 2.9033 | |
| 493 | S | A | 1.0812 | |
| 494 | P | A | 0.0582 | |
| 495 | S | A | -0.5214 | |
| 496 | G | A | -1.0618 | |
| 497 | G | A | -1.2235 | |
| 498 | S | A | -1.0423 | |
| 499 | G | A | -1.0310 | |
| 500 | G | A | -1.1155 | |
| 501 | T | A | -0.6955 | |
| 502 | A | A | -0.8371 | |
| 503 | Q | A | -1.2292 | |
| 504 | V | A | 0.4606 | |
| 505 | E | A | -1.1491 | |
| 506 | T | A | -0.5724 | |
| 507 | A | A | 0.2031 | |
| 508 | I | A | -0.0345 | |
| 509 | A | A | -0.3192 | |
| 510 | V | A | 0.4329 | |
| 511 | Q | A | -0.5732 | |
| 512 | R | A | -1.5443 | |
| 513 | A | A | 0.0000 | |
| 514 | L | A | 0.0000 | |
| 515 | M | A | -0.3977 | |
| 516 | R | A | -1.7571 | |
| 517 | L | A | 0.0000 | |
| 518 | P | A | -0.3973 | |
| 519 | V | A | 0.7756 | |
| 520 | E | A | -0.3126 | |
| 521 | Q | A | -1.3167 | |
| 522 | R | A | -0.4656 | |
| 523 | A | A | 0.0000 | |
| 524 | A | A | 0.0000 | |
| 525 | V | A | 0.0000 | |
| 526 | V | A | 0.0000 | |
| 527 | A | A | 0.0000 | |
| 528 | V | A | -0.8285 | |
| 529 | D | A | -1.4584 | |
| 530 | M | A | -0.6072 | |
| 531 | Q | A | -1.1952 | |
| 532 | G | A | -0.8353 | |
| 533 | Y | A | -0.3015 | |
| 534 | S | A | -0.8730 | |
| 535 | I | A | -1.0450 | |
| 536 | A | A | -1.5247 | |
| 537 | D | A | -2.2584 | |
| 538 | T | A | 0.0000 | |
| 539 | A | A | 0.0000 | |
| 540 | R | A | -2.6744 | |
| 541 | M | A | -1.4780 | |
| 542 | L | A | -0.9448 | |
| 543 | G | A | -1.2142 | |
| 544 | V | A | -0.5463 | |
| 545 | A | A | -1.1704 | |
| 546 | E | A | -2.5534 | |
| 547 | G | A | -1.7333 | |
| 548 | T | A | -1.3001 | |
| 549 | V | A | 0.0000 | |
| 550 | K | A | -2.5231 | |
| 551 | S | A | -1.8777 | |
| 552 | R | A | -2.1947 | |
| 553 | C | A | 0.0000 | |
| 554 | A | A | -2.0122 | |
| 555 | R | A | -2.9040 | |
| 556 | A | A | 0.0000 | |
| 557 | R | A | -2.6182 | |
| 558 | A | A | -2.0553 | |
| 559 | R | A | -2.5329 | |
| 560 | L | A | -1.6966 | |
| 561 | A | A | -1.4007 | |
| 562 | R | A | -2.0740 | |
| 563 | L | A | -1.0591 | |
| 564 | L | A | -0.4426 | |
| 565 | G | A | -1.1782 | |
| 566 | S | A | -1.4091 | |
| 567 | G | A | -1.7075 | |
| 568 | H | A | -2.3171 | |
| 569 | H | A | -2.7451 | |
| 570 | H | A | -2.7949 | |
| 571 | H | A | -2.7277 | |
| 572 | H | A | -2.5661 | |
| 573 | H | A | -2.0175 |
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 | 0.0769 | 5.3637 | View | CSV | PDB |
| 4.5 | 0.0064 | 5.3637 | View | CSV | PDB |
| 5.0 | -0.085 | 5.3637 | View | CSV | PDB |
| 5.5 | -0.1792 | 5.3637 | View | CSV | PDB |
| 6.0 | -0.2593 | 5.3637 | View | CSV | PDB |
| 6.5 | -0.3154 | 5.3637 | View | CSV | PDB |
| 7.0 | -0.3471 | 5.3637 | View | CSV | PDB |
| 7.5 | -0.361 | 5.5535 | View | CSV | PDB |
| 8.0 | -0.3651 | 5.7942 | View | CSV | PDB |
| 8.5 | -0.3624 | 6.0323 | View | CSV | PDB |
| 9.0 | -0.352 | 6.261 | 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