| Chain sequence(s) |
A: MAPSSPSPAAPTRVSGRKRAAKAEEIHQNKEEEEEVAAASSAKRSRKAASSGKKPKSPPKQAKPGRKKKGDAEMKEPVEDDVCAEEPDEEELAMGEEEAEEQAMQEEVVAVAAGSPGKKRVGRRNAAAAAGDHEPEFIGSPVAADEARSNWPKRYGRSTAAKKPDEEEELKARCHYRSAKVDNVVYCLGDDVYVKAGENEADYIGRITEFFEGTDQCHYFTCRWFFRAEDTVINSLVSISVDGHKHDPRRVFLSEEKNDNVLDCIISKVKIVHVDPNMDPKAKAQLIESCDLYYDMSYSVAYSTFANISSENGQSGSDTASGISSDDVDLETSSSMPTRTATLLDLYSGCGGMSTGLCLGAALSGLKLETRWAVDFNSFACQSLKYNHPQTEVRNEKADEFLALLKEWAVLCKKYVQDVDSNLASSEDQADEDSPLDKDEFVVEKLVGICYGGSDRENGIYFKVQWEGYGPEEDTWEPIDNLSDCPQKIREFVQEGHKRKILPLPGDVDVICGGPPCQGISGFNRYRNRDEPLKDEKNKQMVTFMDIVAYLKPKYVLMENVVDILKFADGYLGKYALSCLVAMKYQARLGMMVAGCYGLPQFRMRVFLWGALSSMVLPKYPLPTYDVVVRGGAPNAFSQCMVAYDETQKPSLKKALLLGDAISDLPKVQNHQPNDVMEYGGSPKTEFQRYIRLSRKDMLDWSFGEGAGPDEGKLLDHQPLRLNNDDYERVQQIPVKKGANFRDLKGVRVGANNIVEWDPEIERVKLSSGKPLVPDYAMSFIKGKSLKPFGRLWWDETVPTVVTRAEPHNQVIIHPTQARVLTIRENARLQGFPDYYRLFGPIKEKYIQVGNAVAVPVARALGYCLGQAYLGESEGSDPLYQLPPSFTSVGGRTAGQARASPVGTPAGEVVEQ
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. (00:00:04)
[INFO] FoldX: Starting FoldX energy minimization (00:00:04)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:13:31)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/6df47285c778f02/tmp/folded.pdb (00:13:31)
[INFO] Main: Simulation completed successfully. (00:17:53)
|
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 | 1.0027 | |
| 2 | A | A | 0.3376 | |
| 3 | P | A | -0.1695 | |
| 4 | S | A | -0.3998 | |
| 5 | S | A | -0.5694 | |
| 6 | P | A | -0.5933 | |
| 7 | S | A | -0.5026 | |
| 8 | P | A | -0.4313 | |
| 9 | A | A | -0.2004 | |
| 10 | A | A | -0.3913 | |
| 11 | P | A | -0.5826 | |
| 12 | T | A | -0.5966 | |
| 13 | R | A | -1.1992 | |
| 14 | V | A | 0.3585 | |
| 15 | S | A | -0.7755 | |
| 16 | G | A | -1.8321 | |
| 17 | R | A | -3.2116 | |
| 18 | K | A | -3.6270 | |
| 19 | R | A | -3.3430 | |
| 20 | A | A | -1.8474 | |
| 21 | A | A | -1.6174 | |
| 22 | K | A | -2.2760 | |
| 23 | A | A | -1.8880 | |
| 24 | E | A | -2.6682 | |
| 25 | E | A | -2.0684 | |
| 26 | I | A | 0.0170 | |
| 27 | H | A | -1.3775 | |
| 28 | Q | A | -2.7312 | |
| 29 | N | A | -3.6048 | |
| 30 | K | A | -4.2259 | |
| 31 | E | A | -4.6272 | |
| 32 | E | A | -4.9105 | |
| 33 | E | A | -4.4999 | |
| 34 | E | A | -4.0025 | |
| 35 | E | A | -2.5603 | |
| 36 | V | A | 0.2641 | |
| 37 | A | A | 0.2938 | |
| 38 | A | A | 0.1816 | |
| 39 | A | A | 0.2027 | |
| 40 | S | A | -0.2630 | |
| 41 | S | A | -0.6226 | |
| 42 | A | A | -1.3440 | |
| 43 | K | A | -3.0146 | |
| 44 | R | A | -3.3467 | |
| 45 | S | A | -2.7890 | |
| 46 | R | A | -3.3796 | |
| 47 | K | A | -2.6242 | |
| 48 | A | A | -1.2196 | |
| 49 | A | A | -0.7019 | |
| 50 | S | A | -0.5466 | |
| 51 | S | A | -0.9144 | |
| 52 | G | A | -1.7812 | |
| 53 | K | A | -2.8785 | |
| 54 | K | A | -3.1057 | |
| 55 | P | A | -2.3053 | |
| 56 | K | A | -2.3450 | |
| 57 | S | A | -1.4426 | |
| 58 | P | A | -1.3770 | |
| 59 | P | A | -1.6923 | |
| 60 | K | A | -2.4717 | |
| 61 | Q | A | -2.4213 | |
| 62 | A | A | -1.8317 | |
| 63 | K | A | -2.1305 | |
| 64 | P | A | -1.6621 | |
| 65 | G | A | -2.3113 | |
| 66 | R | A | -3.3599 | |
| 67 | K | A | -3.9210 | |
| 68 | K | A | -3.8862 | |
| 69 | K | A | -3.5692 | |
| 70 | G | A | -2.5334 | |
| 71 | D | A | -2.7855 | |
| 72 | A | A | -1.5848 | |
| 73 | E | A | -2.0289 | |
| 74 | M | A | -1.1158 | |
| 75 | K | A | -2.4904 | |
| 76 | E | A | -2.3298 | |
| 77 | P | A | -1.2262 | |
| 78 | V | A | -0.3334 | |
| 79 | E | A | -2.3596 | |
| 80 | D | A | -2.4867 | |
| 81 | D | A | -1.8928 | |
| 82 | V | A | 0.2530 | |
| 83 | C | A | 0.1956 | |
| 84 | A | A | -0.5656 | |
| 85 | E | A | -2.6267 | |
| 86 | E | A | -3.4586 | |
| 87 | P | A | -3.2850 | |
| 88 | D | A | -4.4834 | |
| 89 | E | A | -3.8055 | |
| 90 | E | A | -3.6071 | |
| 91 | E | A | -3.0530 | |
| 92 | L | A | -1.6081 | |
| 93 | A | A | -1.6129 | |
| 94 | M | A | -1.1194 | |
| 95 | G | A | -1.7507 | |
| 96 | E | A | -2.7397 | |
| 97 | E | A | -2.8760 | |
| 98 | E | A | -3.5430 | |
| 99 | A | A | -3.0603 | |
| 100 | E | A | -3.7425 | |
| 101 | E | A | -3.6871 | |
| 102 | Q | A | -3.7759 | |
| 103 | A | A | -2.6454 | |
| 104 | M | A | -1.6172 | |
| 105 | Q | A | -2.1474 | |
| 106 | E | A | -1.7187 | |
| 107 | E | A | -1.0498 | |
| 108 | V | A | 1.4510 | |
| 109 | V | A | 1.9048 | |
| 110 | A | A | 1.0131 | |
| 111 | V | A | 2.1131 | |
| 112 | A | A | 1.2968 | |
| 113 | A | A | 0.4737 | |
| 114 | G | A | -0.6362 | |
| 115 | S | A | -1.2050 | |
| 116 | P | A | -1.5070 | |
| 117 | G | A | -2.2572 | |
| 118 | K | A | -2.9848 | |
| 119 | K | A | -2.8674 | |
| 120 | R | A | -2.1256 | |
| 121 | V | A | -1.5513 | |
| 122 | G | A | -2.2389 | |
| 123 | R | A | -2.6416 | |
| 124 | R | A | -2.3178 | |
| 125 | N | A | -2.0570 | |
| 126 | A | A | -0.9786 | |
| 127 | A | A | -0.3343 | |
| 128 | A | A | -0.8331 | |
| 129 | A | A | -0.4140 | |
| 130 | A | A | -0.6299 | |
| 131 | G | A | -1.6038 | |
| 132 | D | A | -3.1537 | |
| 133 | H | A | -3.2272 | |
| 134 | E | A | -3.3655 | |
| 135 | P | A | -2.2153 | |
| 136 | E | A | -1.6772 | |
| 137 | F | A | -0.4699 | |
| 138 | I | A | -0.0978 | |
| 139 | G | A | -0.6590 | |
| 140 | S | A | -0.5240 | |
| 141 | P | A | -0.5871 | |
| 142 | V | A | -0.9068 | |
| 143 | A | A | -1.0228 | |
| 144 | A | A | -1.8403 | |
| 145 | D | A | -3.0732 | |
| 146 | E | A | -2.8815 | |
| 147 | A | A | 0.0000 | |
| 148 | R | A | -3.2334 | |
| 149 | S | A | -2.5690 | |
| 150 | N | A | -2.3805 | |
| 151 | W | A | -1.9474 | |
| 152 | P | A | -2.2416 | |
| 153 | K | A | -2.8404 | |
| 154 | R | A | 0.0000 | |
| 155 | Y | A | -1.6911 | |
| 156 | G | A | -2.0212 | |
| 157 | R | A | -2.3459 | |
| 158 | S | A | -1.8044 | |
| 159 | T | A | -0.9158 | |
| 160 | A | A | -0.8885 | |
| 161 | A | A | -1.1832 | |
| 162 | K | A | -3.3701 | |
| 163 | K | A | -3.8677 | |
| 164 | P | A | -3.1252 | |
| 165 | D | A | -4.2499 | |
| 166 | E | A | -5.1336 | |
| 167 | E | A | -4.7711 | |
| 168 | E | A | -4.4481 | |
| 169 | E | A | -3.8786 | |
| 170 | L | A | -2.0646 | |
| 171 | K | A | -2.2027 | |
| 172 | A | A | 0.0000 | |
| 173 | R | A | -2.4103 | |
| 174 | C | A | -1.0455 | |
| 175 | H | A | 0.0000 | |
| 176 | Y | A | -0.6028 | |
| 177 | R | A | -1.5763 | |
| 178 | S | A | 0.0000 | |
| 179 | A | A | 0.0000 | |
| 180 | K | A | -0.9785 | |
| 181 | V | A | 0.0000 | |
| 182 | D | A | -2.5889 | |
| 183 | N | A | -2.0508 | |
| 184 | V | A | 0.1001 | |
| 185 | V | A | 0.4950 | |
| 186 | Y | A | 0.0000 | |
| 187 | C | A | -0.1974 | |
| 188 | L | A | -0.3756 | |
| 189 | G | A | -0.7299 | |
| 190 | D | A | -0.8605 | |
| 191 | D | A | 0.0000 | |
| 192 | V | A | 0.0000 | |
| 193 | Y | A | -0.0863 | |
| 194 | V | A | 0.0000 | |
| 195 | K | A | -1.6252 | |
| 196 | A | A | -2.0483 | |
| 197 | G | A | -2.7298 | |
| 198 | E | A | -3.1765 | |
| 199 | N | A | -3.1549 | |
| 200 | E | A | -3.3635 | |
| 201 | A | A | -1.9479 | |
| 202 | D | A | -1.6873 | |
| 203 | Y | A | -0.5881 | |
| 204 | I | A | 0.0000 | |
| 205 | G | A | 0.0000 | |
| 206 | R | A | -0.9360 | |
| 207 | I | A | 0.0000 | |
| 208 | T | A | -0.7890 | |
| 209 | E | A | 0.0000 | |
| 210 | F | A | 0.0000 | |
| 211 | F | A | 0.0000 | |
| 212 | E | A | -1.5790 | |
| 213 | G | A | 0.0000 | |
| 214 | T | A | -2.0057 | |
| 215 | D | A | -2.7113 | |
| 216 | Q | A | -2.4652 | |
| 217 | C | A | -1.3652 | |
| 218 | H | A | -0.9760 | |
| 219 | Y | A | -0.2573 | |
| 220 | F | A | 0.0000 | |
| 221 | T | A | 0.0000 | |
| 222 | C | A | 0.0000 | |
| 223 | R | A | -2.1433 | |
| 224 | W | A | 0.0000 | |
| 225 | F | A | 0.0000 | |
| 226 | F | A | -0.4698 | |
| 227 | R | A | -1.1626 | |
| 228 | A | A | 0.0000 | |
| 229 | E | A | -2.1317 | |
| 230 | D | A | -1.4956 | |
| 231 | T | A | 0.0000 | |
| 232 | V | A | -0.1922 | |
| 233 | I | A | 0.0000 | |
| 234 | N | A | -1.5529 | |
| 235 | S | A | -0.9011 | |
| 236 | L | A | 0.0000 | |
| 237 | V | A | -0.9041 | |
| 238 | S | A | -0.6322 | |
| 239 | I | A | -0.4190 | |
| 240 | S | A | -1.4115 | |
| 241 | V | A | 0.0000 | |
| 242 | D | A | -2.5418 | |
| 243 | G | A | -2.0229 | |
| 244 | H | A | -2.3007 | |
| 245 | K | A | -2.5671 | |
| 246 | H | A | -1.6430 | |
| 247 | D | A | -1.3259 | |
| 248 | P | A | -1.2505 | |
| 249 | R | A | -1.4713 | |
| 250 | R | A | 0.0000 | |
| 251 | V | A | 0.0000 | |
| 252 | F | A | 0.0000 | |
| 253 | L | A | 0.0000 | |
| 254 | S | A | 0.0000 | |
| 255 | E | A | -2.4296 | |
| 256 | E | A | -2.2950 | |
| 257 | K | A | -3.0233 | |
| 258 | N | A | -2.2119 | |
| 259 | D | A | -1.4047 | |
| 260 | N | A | 0.0000 | |
| 261 | V | A | -0.3250 | |
| 262 | L | A | 0.0000 | |
| 263 | D | A | -1.5206 | |
| 264 | C | A | 0.0000 | |
| 265 | I | A | 0.0000 | |
| 266 | I | A | 0.1023 | |
| 267 | S | A | -0.1454 | |
| 268 | K | A | -1.1039 | |
| 269 | V | A | 0.0000 | |
| 270 | K | A | -2.5050 | |
| 271 | I | A | 0.0000 | |
| 272 | V | A | -0.6531 | |
| 273 | H | A | -0.5523 | |
| 274 | V | A | 0.0000 | |
| 275 | D | A | -1.8513 | |
| 276 | P | A | -1.6203 | |
| 277 | N | A | -2.0719 | |
| 278 | M | A | -1.9805 | |
| 279 | D | A | -2.8403 | |
| 280 | P | A | -2.3104 | |
| 281 | K | A | -2.6596 | |
| 282 | A | A | -2.1479 | |
| 283 | K | A | -2.2626 | |
| 284 | A | A | -1.9106 | |
| 285 | Q | A | -2.1546 | |
| 286 | L | A | -1.0206 | |
| 287 | I | A | -1.4975 | |
| 288 | E | A | -2.3781 | |
| 289 | S | A | -1.6618 | |
| 290 | C | A | -2.0132 | |
| 291 | D | A | -2.7469 | |
| 292 | L | A | 0.0000 | |
| 293 | Y | A | 0.0000 | |
| 294 | Y | A | 0.0000 | |
| 295 | D | A | 0.0000 | |
| 296 | M | A | 0.0000 | |
| 297 | S | A | -0.2984 | |
| 298 | Y | A | 0.0000 | |
| 299 | S | A | 0.1218 | |
| 300 | V | A | 0.9555 | |
| 301 | A | A | 0.1442 | |
| 302 | Y | A | 0.0000 | |
| 303 | S | A | 0.0000 | |
| 304 | T | A | 0.0000 | |
| 305 | F | A | 0.0000 | |
| 306 | A | A | -0.0056 | |
| 307 | N | A | -0.3153 | |
| 308 | I | A | -0.7336 | |
| 309 | S | A | -1.3264 | |
| 310 | S | A | -1.9260 | |
| 311 | E | A | -2.9347 | |
| 312 | N | A | -2.7567 | |
| 313 | G | A | -2.3206 | |
| 314 | Q | A | -2.4179 | |
| 315 | S | A | -1.7610 | |
| 316 | G | A | -1.4444 | |
| 317 | S | A | -1.5723 | |
| 318 | D | A | -2.0787 | |
| 319 | T | A | -1.1478 | |
| 320 | A | A | -0.4705 | |
| 321 | S | A | -0.1524 | |
| 322 | G | A | 0.3330 | |
| 323 | I | A | 1.3719 | |
| 324 | S | A | -0.0510 | |
| 325 | S | A | -1.1058 | |
| 326 | D | A | -2.3272 | |
| 327 | D | A | -2.1705 | |
| 328 | V | A | -0.2832 | |
| 329 | D | A | -1.4131 | |
| 330 | L | A | 0.0020 | |
| 331 | E | A | -1.4686 | |
| 332 | T | A | -0.9553 | |
| 333 | S | A | -0.5514 | |
| 334 | S | A | -0.4284 | |
| 335 | S | A | 0.0664 | |
| 336 | M | A | 0.6198 | |
| 337 | P | A | -0.0964 | |
| 338 | T | A | -0.5631 | |
| 339 | R | A | -0.9961 | |
| 340 | T | A | -0.9734 | |
| 341 | A | A | 0.0000 | |
| 342 | T | A | -0.6604 | |
| 343 | L | A | 0.0000 | |
| 344 | L | A | 0.0000 | |
| 345 | D | A | 0.0000 | |
| 346 | L | A | 0.0000 | |
| 347 | Y | A | 0.0378 | |
| 348 | S | A | 0.0000 | |
| 349 | G | A | -0.1664 | |
| 350 | C | A | 0.0000 | |
| 351 | G | A | 0.0000 | |
| 352 | G | A | 0.0000 | |
| 353 | M | A | 0.0000 | |
| 354 | S | A | 0.0000 | |
| 355 | T | A | 0.0000 | |
| 356 | G | A | 0.0000 | |
| 357 | L | A | 0.0000 | |
| 358 | C | A | -0.1657 | |
| 359 | L | A | 0.0000 | |
| 360 | G | A | 0.0000 | |
| 361 | A | A | 0.0000 | |
| 362 | A | A | 0.0000 | |
| 363 | L | A | -0.2285 | |
| 364 | S | A | -0.4142 | |
| 365 | G | A | -0.5885 | |
| 366 | L | A | 0.0000 | |
| 367 | K | A | -0.9563 | |
| 368 | L | A | 0.0000 | |
| 369 | E | A | -1.3263 | |
| 370 | T | A | -0.9627 | |
| 371 | R | A | -1.1540 | |
| 372 | W | A | 0.0000 | |
| 373 | A | A | 0.0000 | |
| 374 | V | A | 0.0000 | |
| 375 | D | A | 0.0000 | |
| 376 | F | A | 0.1848 | |
| 377 | N | A | -0.2158 | |
| 378 | S | A | -0.1903 | |
| 379 | F | A | 0.3306 | |
| 380 | A | A | 0.0000 | |
| 381 | C | A | 0.0000 | |
| 382 | Q | A | -0.8149 | |
| 383 | S | A | 0.0000 | |
| 384 | L | A | 0.0000 | |
| 385 | K | A | -1.1815 | |
| 386 | Y | A | -0.5309 | |
| 387 | N | A | 0.0000 | |
| 388 | H | A | 0.0000 | |
| 389 | P | A | -0.9791 | |
| 390 | Q | A | -1.6430 | |
| 391 | T | A | 0.0000 | |
| 392 | E | A | -1.0751 | |
| 393 | V | A | -0.8235 | |
| 394 | R | A | 0.0000 | |
| 395 | N | A | -1.0602 | |
| 396 | E | A | -1.0734 | |
| 397 | K | A | -1.5441 | |
| 398 | A | A | 0.0000 | |
| 399 | D | A | -2.1895 | |
| 400 | E | A | -1.5974 | |
| 401 | F | A | 0.0000 | |
| 402 | L | A | -1.1544 | |
| 403 | A | A | -1.2581 | |
| 404 | L | A | 0.0000 | |
| 405 | L | A | 0.0000 | |
| 406 | K | A | -1.2232 | |
| 407 | E | A | -1.0411 | |
| 408 | W | A | 0.0000 | |
| 409 | A | A | -0.5407 | |
| 410 | V | A | 0.1933 | |
| 411 | L | A | 0.0000 | |
| 412 | C | A | 0.0000 | |
| 413 | K | A | -2.4726 | |
| 414 | K | A | -2.6907 | |
| 415 | Y | A | -1.9194 | |
| 416 | V | A | -1.7998 | |
| 417 | Q | A | -2.6024 | |
| 418 | D | A | -2.8570 | |
| 419 | V | A | -0.6762 | |
| 420 | D | A | -1.9425 | |
| 421 | S | A | -0.9524 | |
| 422 | N | A | -0.9592 | |
| 423 | L | A | 0.6585 | |
| 424 | A | A | -0.2049 | |
| 425 | S | A | -0.9069 | |
| 426 | S | A | -1.6540 | |
| 427 | E | A | -3.2280 | |
| 428 | D | A | -3.6070 | |
| 429 | Q | A | -3.4246 | |
| 430 | A | A | -3.0809 | |
| 431 | D | A | -3.7815 | |
| 432 | E | A | -3.6732 | |
| 433 | D | A | -3.1869 | |
| 434 | S | A | -2.1238 | |
| 435 | P | A | -1.4661 | |
| 436 | L | A | -1.2959 | |
| 437 | D | A | -3.0259 | |
| 438 | K | A | -3.4009 | |
| 439 | D | A | -3.3874 | |
| 440 | E | A | -2.2992 | |
| 441 | F | A | 0.2489 | |
| 442 | V | A | 0.3631 | |
| 443 | V | A | -0.8754 | |
| 444 | E | A | -2.2884 | |
| 445 | K | A | -2.1914 | |
| 446 | L | A | 0.0000 | |
| 447 | V | A | 0.0751 | |
| 448 | G | A | 0.0958 | |
| 449 | I | A | 0.0000 | |
| 450 | C | A | 0.0000 | |
| 451 | Y | A | -1.1932 | |
| 452 | G | A | 0.0000 | |
| 453 | G | A | -1.7029 | |
| 454 | S | A | -1.5062 | |
| 455 | D | A | -2.6243 | |
| 456 | R | A | -2.5093 | |
| 457 | E | A | -3.0716 | |
| 458 | N | A | -2.5104 | |
| 459 | G | A | -1.4682 | |
| 460 | I | A | 0.0000 | |
| 461 | Y | A | 0.0000 | |
| 462 | F | A | 0.0000 | |
| 463 | K | A | -0.2511 | |
| 464 | V | A | 0.0000 | |
| 465 | Q | A | -1.6785 | |
| 466 | W | A | -1.1324 | |
| 467 | E | A | -1.8013 | |
| 468 | G | A | -1.0241 | |
| 469 | Y | A | -0.8864 | |
| 470 | G | A | -1.3339 | |
| 471 | P | A | -1.5106 | |
| 472 | E | A | -2.6174 | |
| 473 | E | A | -2.3219 | |
| 474 | D | A | -1.6505 | |
| 475 | T | A | -0.7046 | |
| 476 | W | A | 0.1414 | |
| 477 | E | A | -0.6863 | |
| 478 | P | A | -1.2345 | |
| 479 | I | A | -0.7529 | |
| 480 | D | A | -2.4499 | |
| 481 | N | A | -2.3912 | |
| 482 | L | A | 0.0000 | |
| 483 | S | A | -2.0736 | |
| 484 | D | A | -2.5567 | |
| 485 | C | A | -1.6110 | |
| 486 | P | A | -1.5235 | |
| 487 | Q | A | -2.0036 | |
| 488 | K | A | -2.3578 | |
| 489 | I | A | 0.0000 | |
| 490 | R | A | -2.0747 | |
| 491 | E | A | -2.7332 | |
| 492 | F | A | -1.7535 | |
| 493 | V | A | 0.0000 | |
| 494 | Q | A | -2.4207 | |
| 495 | E | A | -2.8925 | |
| 496 | G | A | 0.0000 | |
| 497 | H | A | -2.1980 | |
| 498 | K | A | -3.2006 | |
| 499 | R | A | -3.1882 | |
| 500 | K | A | -2.1569 | |
| 501 | I | A | -1.0618 | |
| 502 | L | A | 0.0000 | |
| 503 | P | A | 0.0000 | |
| 504 | L | A | -0.4671 | |
| 505 | P | A | -0.8904 | |
| 506 | G | A | -1.1181 | |
| 507 | D | A | -0.9446 | |
| 508 | V | A | 0.0000 | |
| 509 | D | A | -0.9543 | |
| 510 | V | A | 0.0000 | |
| 511 | I | A | 0.0000 | |
| 512 | C | A | 0.0000 | |
| 513 | G | A | 0.0000 | |
| 514 | G | A | -0.2877 | |
| 515 | P | A | 0.0000 | |
| 516 | P | A | -0.9525 | |
| 517 | C | A | 0.0000 | |
| 518 | Q | A | -2.0901 | |
| 519 | G | A | 0.0000 | |
| 520 | I | A | 0.0000 | |
| 521 | S | A | -0.3614 | |
| 522 | G | A | -0.2712 | |
| 523 | F | A | 0.9090 | |
| 524 | N | A | -0.2406 | |
| 525 | R | A | -0.1987 | |
| 526 | Y | A | 0.2933 | |
| 527 | R | A | -1.9556 | |
| 528 | N | A | -2.7300 | |
| 529 | R | A | -3.0322 | |
| 530 | D | A | -3.3609 | |
| 531 | E | A | -3.1408 | |
| 532 | P | A | 0.0000 | |
| 533 | L | A | -2.1908 | |
| 534 | K | A | -3.2659 | |
| 535 | D | A | -3.2927 | |
| 536 | E | A | -3.4953 | |
| 537 | K | A | -3.2698 | |
| 538 | N | A | 0.0000 | |
| 539 | K | A | -2.5126 | |
| 540 | Q | A | -1.5655 | |
| 541 | M | A | 0.0000 | |
| 542 | V | A | -0.2662 | |
| 543 | T | A | -0.7897 | |
| 544 | F | A | 0.0000 | |
| 545 | M | A | 0.0000 | |
| 546 | D | A | -1.1755 | |
| 547 | I | A | 0.0000 | |
| 548 | V | A | 0.0000 | |
| 549 | A | A | 0.0000 | |
| 550 | Y | A | -0.9590 | |
| 551 | L | A | 0.0000 | |
| 552 | K | A | -1.9568 | |
| 553 | P | A | 0.0000 | |
| 554 | K | A | -0.9269 | |
| 555 | Y | A | 0.0000 | |
| 556 | V | A | 0.0000 | |
| 557 | L | A | 0.0000 | |
| 558 | M | A | 0.0000 | |
| 559 | E | A | -0.1961 | |
| 560 | N | A | 0.0000 | |
| 561 | V | A | 0.0989 | |
| 562 | V | A | 0.0000 | |
| 563 | D | A | 0.0000 | |
| 564 | I | A | 0.0000 | |
| 565 | L | A | 0.0000 | |
| 566 | K | A | -1.6851 | |
| 567 | F | A | 0.0000 | |
| 568 | A | A | -1.9267 | |
| 569 | D | A | -2.2790 | |
| 570 | G | A | 0.0000 | |
| 571 | Y | A | -1.0663 | |
| 572 | L | A | 0.0000 | |
| 573 | G | A | 0.0000 | |
| 574 | K | A | 0.0000 | |
| 575 | Y | A | 0.0000 | |
| 576 | A | A | 0.0000 | |
| 577 | L | A | 0.0000 | |
| 578 | S | A | 0.0000 | |
| 579 | C | A | 0.0000 | |
| 580 | L | A | 0.0000 | |
| 581 | V | A | 0.0000 | |
| 582 | A | A | 0.0000 | |
| 583 | M | A | 0.0000 | |
| 584 | K | A | -0.8904 | |
| 585 | Y | A | 0.0000 | |
| 586 | Q | A | 0.0000 | |
| 587 | A | A | 0.0000 | |
| 588 | R | A | 0.0000 | |
| 589 | L | A | 0.0000 | |
| 590 | G | A | 0.0000 | |
| 591 | M | A | 0.0000 | |
| 592 | M | A | 0.0000 | |
| 593 | V | A | 0.0000 | |
| 594 | A | A | 0.0000 | |
| 595 | G | A | 0.0000 | |
| 596 | C | A | 0.0000 | |
| 597 | Y | A | 0.0000 | |
| 598 | G | A | 0.0000 | |
| 599 | L | A | 0.0000 | |
| 600 | P | A | 0.0000 | |
| 601 | Q | A | 0.0000 | |
| 602 | F | A | 0.2827 | |
| 603 | R | A | 0.0000 | |
| 604 | M | A | 0.1280 | |
| 605 | R | A | -0.0643 | |
| 606 | V | A | 0.0000 | |
| 607 | F | A | 0.0000 | |
| 608 | L | A | 0.0000 | |
| 609 | W | A | 0.0000 | |
| 610 | G | A | 0.0000 | |
| 611 | A | A | 0.0000 | |
| 612 | L | A | -0.1506 | |
| 613 | S | A | -0.4405 | |
| 614 | S | A | -0.3093 | |
| 615 | M | A | 0.3702 | |
| 616 | V | A | 0.3021 | |
| 617 | L | A | 0.0000 | |
| 618 | P | A | 0.0000 | |
| 619 | K | A | 0.0000 | |
| 620 | Y | A | 0.0000 | |
| 621 | P | A | 0.0000 | |
| 622 | L | A | -0.0095 | |
| 623 | P | A | 0.0000 | |
| 624 | T | A | -0.7488 | |
| 625 | Y | A | -1.0214 | |
| 626 | D | A | -1.4808 | |
| 627 | V | A | 0.0565 | |
| 628 | V | A | 1.2281 | |
| 629 | V | A | 0.1923 | |
| 630 | R | A | -1.3986 | |
| 631 | G | A | -1.4719 | |
| 632 | G | A | -1.2616 | |
| 633 | A | A | -1.1345 | |
| 634 | P | A | 0.0000 | |
| 635 | N | A | -1.9030 | |
| 636 | A | A | -1.2237 | |
| 637 | F | A | 0.0000 | |
| 638 | S | A | -1.0695 | |
| 639 | Q | A | -0.9581 | |
| 640 | C | A | 0.0000 | |
| 641 | M | A | -0.2325 | |
| 642 | V | A | 0.0000 | |
| 643 | A | A | -0.2780 | |
| 644 | Y | A | -1.7236 | |
| 645 | D | A | -3.2236 | |
| 646 | E | A | -3.3303 | |
| 647 | T | A | -2.4598 | |
| 648 | Q | A | -3.1052 | |
| 649 | K | A | -2.8601 | |
| 650 | P | A | -1.6052 | |
| 651 | S | A | -1.1645 | |
| 652 | L | A | -1.2394 | |
| 653 | K | A | -1.9172 | |
| 654 | K | A | -2.4037 | |
| 655 | A | A | -1.0889 | |
| 656 | L | A | 0.0000 | |
| 657 | L | A | -0.6630 | |
| 658 | L | A | 0.0000 | |
| 659 | G | A | -0.7464 | |
| 660 | D | A | -1.1517 | |
| 661 | A | A | 0.0000 | |
| 662 | I | A | 0.0000 | |
| 663 | S | A | -0.6320 | |
| 664 | D | A | 0.0000 | |
| 665 | L | A | -0.8658 | |
| 666 | P | A | -1.2729 | |
| 667 | K | A | -2.0227 | |
| 668 | V | A | 0.0000 | |
| 669 | Q | A | -2.1929 | |
| 670 | N | A | 0.0000 | |
| 671 | H | A | -2.3641 | |
| 672 | Q | A | -1.8506 | |
| 673 | P | A | -1.5627 | |
| 674 | N | A | -1.6253 | |
| 675 | D | A | -1.1474 | |
| 676 | V | A | -0.8806 | |
| 677 | M | A | -1.3128 | |
| 678 | E | A | -2.2036 | |
| 679 | Y | A | 0.0000 | |
| 680 | G | A | -1.3406 | |
| 681 | G | A | -1.1144 | |
| 682 | S | A | -1.1907 | |
| 683 | P | A | -2.0527 | |
| 684 | K | A | -2.6059 | |
| 685 | T | A | -2.3202 | |
| 686 | E | A | -2.6864 | |
| 687 | F | A | 0.0000 | |
| 688 | Q | A | 0.0000 | |
| 689 | R | A | -2.6450 | |
| 690 | Y | A | -1.2744 | |
| 691 | I | A | 0.0000 | |
| 692 | R | A | -1.5363 | |
| 693 | L | A | -1.3362 | |
| 694 | S | A | -1.6768 | |
| 695 | R | A | 0.0000 | |
| 696 | K | A | -2.6757 | |
| 697 | D | A | -2.7136 | |
| 698 | M | A | 0.0000 | |
| 699 | L | A | -0.9316 | |
| 700 | D | A | 0.0000 | |
| 701 | W | A | -0.4487 | |
| 702 | S | A | -0.5091 | |
| 703 | F | A | -0.4942 | |
| 704 | G | A | -1.1992 | |
| 705 | E | A | -2.1607 | |
| 706 | G | A | -1.3297 | |
| 707 | A | A | -1.5426 | |
| 708 | G | A | -0.9852 | |
| 709 | P | A | -0.9653 | |
| 710 | D | A | -1.6397 | |
| 711 | E | A | -2.5873 | |
| 712 | G | A | -2.2973 | |
| 713 | K | A | -2.4316 | |
| 714 | L | A | 0.0000 | |
| 715 | L | A | 0.0000 | |
| 716 | D | A | 0.0000 | |
| 717 | H | A | 0.0000 | |
| 718 | Q | A | 0.0000 | |
| 719 | P | A | 0.0000 | |
| 720 | L | A | -1.3361 | |
| 721 | R | A | -2.8257 | |
| 722 | L | A | 0.0000 | |
| 723 | N | A | -2.5023 | |
| 724 | N | A | -2.3542 | |
| 725 | D | A | -1.9338 | |
| 726 | D | A | 0.0000 | |
| 727 | Y | A | -1.6857 | |
| 728 | E | A | -1.8051 | |
| 729 | R | A | 0.0000 | |
| 730 | V | A | 0.0000 | |
| 731 | Q | A | -1.7035 | |
| 732 | Q | A | -2.0285 | |
| 733 | I | A | 0.0000 | |
| 734 | P | A | -0.5850 | |
| 735 | V | A | 0.4425 | |
| 736 | K | A | -1.3375 | |
| 737 | K | A | -2.3788 | |
| 738 | G | A | -1.3912 | |
| 739 | A | A | 0.0000 | |
| 740 | N | A | 0.0000 | |
| 741 | F | A | 0.0000 | |
| 742 | R | A | -0.7767 | |
| 743 | D | A | -1.5974 | |
| 744 | L | A | 0.0000 | |
| 745 | K | A | -2.5409 | |
| 746 | G | A | 0.0000 | |
| 747 | V | A | -1.3787 | |
| 748 | R | A | -1.0287 | |
| 749 | V | A | 0.2989 | |
| 750 | G | A | -0.1745 | |
| 751 | A | A | -0.3832 | |
| 752 | N | A | -1.2720 | |
| 753 | N | A | -1.0932 | |
| 754 | I | A | -0.4333 | |
| 755 | V | A | 0.0000 | |
| 756 | E | A | -0.5285 | |
| 757 | W | A | -1.0250 | |
| 758 | D | A | -1.6765 | |
| 759 | P | A | -1.7224 | |
| 760 | E | A | -2.2114 | |
| 761 | I | A | -1.7415 | |
| 762 | E | A | -2.7549 | |
| 763 | R | A | -2.5440 | |
| 764 | V | A | -1.9649 | |
| 765 | K | A | -2.9113 | |
| 766 | L | A | 0.0000 | |
| 767 | S | A | -1.3609 | |
| 768 | S | A | -1.5980 | |
| 769 | G | A | -1.7984 | |
| 770 | K | A | -2.5763 | |
| 771 | P | A | -2.1183 | |
| 772 | L | A | 0.0000 | |
| 773 | V | A | 0.0000 | |
| 774 | P | A | 0.0000 | |
| 775 | D | A | -1.4887 | |
| 776 | Y | A | -0.3013 | |
| 777 | A | A | 0.0000 | |
| 778 | M | A | -0.7160 | |
| 779 | S | A | -0.9674 | |
| 780 | F | A | 0.0000 | |
| 781 | I | A | -1.4045 | |
| 782 | K | A | -2.0046 | |
| 783 | G | A | 0.0000 | |
| 784 | K | A | -1.1510 | |
| 785 | S | A | 0.0000 | |
| 786 | L | A | 0.1809 | |
| 787 | K | A | -0.4846 | |
| 788 | P | A | 0.0000 | |
| 789 | F | A | 0.0000 | |
| 790 | G | A | 0.0000 | |
| 791 | R | A | 0.0000 | |
| 792 | L | A | 0.0000 | |
| 793 | W | A | -0.9583 | |
| 794 | W | A | -0.9279 | |
| 795 | D | A | -2.0425 | |
| 796 | E | A | -1.4231 | |
| 797 | T | A | -0.4275 | |
| 798 | V | A | 0.2128 | |
| 799 | P | A | 0.0168 | |
| 800 | T | A | 0.2848 | |
| 801 | V | A | 0.0000 | |
| 802 | V | A | 0.6280 | |
| 803 | T | A | -0.2467 | |
| 804 | R | A | -0.6890 | |
| 805 | A | A | 0.0000 | |
| 806 | E | A | -1.0586 | |
| 807 | P | A | 0.0000 | |
| 808 | H | A | -0.5855 | |
| 809 | N | A | -0.8583 | |
| 810 | Q | A | -0.4506 | |
| 811 | V | A | -0.0460 | |
| 812 | I | A | 0.0000 | |
| 813 | I | A | 0.0000 | |
| 814 | H | A | 0.0000 | |
| 815 | P | A | 0.0000 | |
| 816 | T | A | -0.0652 | |
| 817 | Q | A | 0.0000 | |
| 818 | A | A | -0.6011 | |
| 819 | R | A | 0.0000 | |
| 820 | V | A | 0.0000 | |
| 821 | L | A | 0.0000 | |
| 822 | T | A | 0.0000 | |
| 823 | I | A | 0.0000 | |
| 824 | R | A | 0.0000 | |
| 825 | E | A | 0.0000 | |
| 826 | N | A | 0.0000 | |
| 827 | A | A | 0.0000 | |
| 828 | R | A | 0.0000 | |
| 829 | L | A | 0.0000 | |
| 830 | Q | A | 0.0000 | |
| 831 | G | A | 0.0000 | |
| 832 | F | A | 0.0000 | |
| 833 | P | A | 0.0000 | |
| 834 | D | A | 0.0000 | |
| 835 | Y | A | 0.0000 | |
| 836 | Y | A | 0.0000 | |
| 837 | R | A | -0.3576 | |
| 838 | L | A | 0.0000 | |
| 839 | F | A | 0.2019 | |
| 840 | G | A | -0.0217 | |
| 841 | P | A | -0.1329 | |
| 842 | I | A | -0.4828 | |
| 843 | K | A | -1.3648 | |
| 844 | E | A | -0.4606 | |
| 845 | K | A | 0.0000 | |
| 846 | Y | A | 0.0000 | |
| 847 | I | A | -0.1322 | |
| 848 | Q | A | 0.0000 | |
| 849 | V | A | 0.0000 | |
| 850 | G | A | 0.0000 | |
| 851 | N | A | -0.9660 | |
| 852 | A | A | 0.0000 | |
| 853 | V | A | 0.0000 | |
| 854 | A | A | 0.0000 | |
| 855 | V | A | 0.0000 | |
| 856 | P | A | 0.0000 | |
| 857 | V | A | 0.0000 | |
| 858 | A | A | 0.0000 | |
| 859 | R | A | -0.1497 | |
| 860 | A | A | 0.0000 | |
| 861 | L | A | 0.0000 | |
| 862 | G | A | 0.0000 | |
| 863 | Y | A | 0.0000 | |
| 864 | C | A | 0.0000 | |
| 865 | L | A | 0.0000 | |
| 866 | G | A | 0.0000 | |
| 867 | Q | A | -1.0115 | |
| 868 | A | A | 0.0000 | |
| 869 | Y | A | 0.0000 | |
| 870 | L | A | -0.6883 | |
| 871 | G | A | -1.3203 | |
| 872 | E | A | -2.4417 | |
| 873 | S | A | -2.0652 | |
| 874 | E | A | -2.8087 | |
| 875 | G | A | -2.1573 | |
| 876 | S | A | -1.5864 | |
| 877 | D | A | -2.2117 | |
| 878 | P | A | -0.8282 | |
| 879 | L | A | -0.4594 | |
| 880 | Y | A | -0.7194 | |
| 881 | Q | A | -0.9035 | |
| 882 | L | A | -0.3878 | |
| 883 | P | A | -0.4106 | |
| 884 | P | A | -0.5270 | |
| 885 | S | A | -0.5949 | |
| 886 | F | A | 0.0000 | |
| 887 | T | A | -0.1327 | |
| 888 | S | A | -0.4280 | |
| 889 | V | A | -0.4523 | |
| 890 | G | A | -0.9878 | |
| 891 | G | A | -1.6681 | |
| 892 | R | A | -2.6070 | |
| 893 | T | A | -1.7108 | |
| 894 | A | A | -1.0742 | |
| 895 | G | A | -1.5878 | |
| 896 | Q | A | -2.2773 | |
| 897 | A | A | -1.7672 | |
| 898 | R | A | -2.2239 | |
| 899 | A | A | -0.9613 | |
| 900 | S | A | -0.3884 | |
| 901 | P | A | 0.1545 | |
| 902 | V | A | 1.3219 | |
| 903 | G | A | 0.1998 | |
| 904 | T | A | -0.0380 | |
| 905 | P | A | -0.5141 | |
| 906 | A | A | -0.5783 | |
| 907 | G | A | -0.8018 | |
| 908 | E | A | -0.9241 | |
| 909 | V | A | 1.0532 | |
| 910 | V | A | 0.9629 | |
| 911 | E | A | -1.3228 | |
| 912 | Q | A | -1.5090 |
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 | -0.7569 | 3.8015 | View | CSV | PDB |
| 4.5 | -0.8544 | 3.4644 | View | CSV | PDB |
| 5.0 | -0.9756 | 3.0179 | View | CSV | PDB |
| 5.5 | -1.0993 | 2.8023 | View | CSV | PDB |
| 6.0 | -1.2028 | 2.6122 | View | CSV | PDB |
| 6.5 | -1.2685 | 2.4668 | View | CSV | PDB |
| 7.0 | -1.293 | 2.4276 | View | CSV | PDB |
| 7.5 | -1.2877 | 2.4276 | View | CSV | PDB |
| 8.0 | -1.2651 | 2.4276 | View | CSV | PDB |
| 8.5 | -1.2302 | 2.4276 | View | CSV | PDB |
| 9.0 | -1.183 | 2.4276 | 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