| Chain sequence(s) | MEQRASLDSEESESPPQENSCLDPPDRDPNCKPPPVKPHIFTTRSRTRLFGKGDSEEASPLDCPYEEGGLASCPIITVSSVLTIQRPGDGPASVRPSSQDSVSAGEKPPRLYDRRSIFDAVAQSNCQELESLLPFLQRSKKRLTDSEFKDPETGKTCLLKAMLNLHNGQNDTIALLLDVARKTDSLKQFVNASYTDSYYKGQTALHIAIERRNMTLVTLLVENGADVQAAANGDFFKKTKGRPGFYFGELPLSLAACTNQLAIVKFLLQNSWQPADISARDSVGNTVLHALVEVADNTVDNTKFVTSMYNEILILGAKLHPTLKLEEITNRKGLTPLALAASSGKIGVLAYILQREIHEPECRHLSRKFTEWAYGPVHSSLYDLSCIDTCEKNSVLEVIAYSSSETPNRHDMLLVEPLNRLLQDKWDRFVKRIFYFNFFVYCLYMIIFTAAAYYRPVEGLPPYKLKNTVGDYFRVTGEILSVSGGVYFFFRGIQYFLQRRPSLKSLFVDSYSEILFFVQSLFMLVSVVLYFSQRKEYVASMVFSLAMGWTNMLYYTRGFQQMGIYAVMIEKMILRDLCRFMFVYLVFLFGFSTAVVTLIEDGKNNSLPMESTPHKCRGSACKPGNSYNSLYSTCLELFKFTIGMGDLEFTENYDFKAVFIILLLAYVILTYILLLNMLIALMGETVNKIAQESKNIWKLQRAITILDTEKSFLKCMRKAFRSGKLLQVGFTPDGKDDYRWCFRVDEVNWTTWNTNVGIINEDPGNCEGVKRTLSFSLRSGRVSGRNWKNFALVPLLRDASTRDRHATQQEEVQLKHYTGSLKPEDAEVFKDSMVPGEK input PDB |
| Selected Chain(s) | A |
| Distance of aggregation | 10 Å |
| FoldX usage | Yes |
| pH calculations | Yes |
| Dynamic mode | No |
| Automated mutations | No |
| Downloads | Download all the data |
| Simulation log |
[INFO] Logger: Verbosity set to: 2 - [INFO] (00:00:00)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:00)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with A chain(s) selected (00:00:00)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:00)
[INFO] PDB-Info: The input structure is partially or entirely disordered. Average 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 (00:41:39)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/a390dd73d41ef6/tmp/folded.pdb (00:41:39)
[INFO] Main: Simulation completed successfully. (00:57:55)
|
The table below lists A3D score for protein residues. Residues with A3D score > 0.0000 are marked by yellow rows.
| residue index | residue name | chain | Aggrescan3D score | mutation |
|---|---|---|---|---|
| residue index | residue name | chain | Aggrescan3D score | |
| 1 | M | A | -0.4011 | |
| 2 | E | A | -2.3712 | |
| 3 | Q | A | -2.8685 | |
| 4 | R | A | -2.6214 | |
| 5 | A | A | -1.2346 | |
| 6 | S | A | -0.4547 | |
| 7 | L | A | 0.3581 | |
| 8 | D | A | -1.5361 | |
| 9 | S | A | -2.0927 | |
| 10 | E | A | -3.3335 | |
| 11 | E | A | -3.4049 | |
| 12 | S | A | -2.4371 | |
| 13 | E | A | -2.5346 | |
| 14 | S | A | -1.4697 | |
| 15 | P | A | -1.3783 | |
| 16 | P | A | -1.8636 | |
| 17 | Q | A | -2.6029 | |
| 18 | E | A | -3.0786 | |
| 19 | N | A | -2.2649 | |
| 20 | S | A | -0.4999 | |
| 21 | C | A | 0.5317 | |
| 22 | L | A | 0.8096 | |
| 23 | D | A | -1.0892 | |
| 24 | P | A | -1.2760 | |
| 25 | P | A | -2.0439 | |
| 26 | D | A | -3.2853 | |
| 27 | R | A | -3.7292 | |
| 28 | D | A | -3.4110 | |
| 29 | P | A | -2.3096 | |
| 30 | N | A | -1.8568 | |
| 31 | C | A | -1.0787 | |
| 32 | K | A | -1.8626 | |
| 33 | P | A | -0.8825 | |
| 34 | P | A | -0.6272 | |
| 35 | P | A | -0.1581 | |
| 36 | V | A | 0.5831 | |
| 37 | K | A | -1.0272 | |
| 38 | P | A | -0.6532 | |
| 39 | H | A | 0.1163 | |
| 40 | I | A | 2.1577 | |
| 41 | F | A | 2.3985 | |
| 42 | T | A | 0.6731 | |
| 43 | T | A | -0.5240 | |
| 44 | R | A | -2.2305 | |
| 45 | S | A | -2.2705 | |
| 46 | R | A | -2.8251 | |
| 47 | T | A | -1.8075 | |
| 48 | R | A | -1.1515 | |
| 49 | L | A | 1.2612 | |
| 50 | F | A | 1.6563 | |
| 51 | G | A | -0.5250 | |
| 52 | K | A | -2.0078 | |
| 53 | G | A | -2.3203 | |
| 54 | D | A | -3.2689 | |
| 55 | S | A | -2.8820 | |
| 56 | E | A | -3.3586 | |
| 57 | E | A | -3.0455 | |
| 58 | A | A | -1.6705 | |
| 59 | S | A | -1.2820 | |
| 60 | P | A | -0.8045 | |
| 61 | L | A | -0.5256 | |
| 62 | D | A | -1.3671 | |
| 63 | C | A | -0.2583 | |
| 64 | P | A | -0.5852 | |
| 65 | Y | A | -0.6434 | |
| 66 | E | A | -2.1254 | |
| 67 | E | A | -2.5081 | |
| 68 | G | A | -1.4787 | |
| 69 | G | A | -0.3574 | |
| 70 | L | A | 1.0392 | |
| 71 | A | A | 0.6878 | |
| 72 | S | A | 0.7349 | |
| 73 | C | A | 1.4724 | |
| 74 | P | A | 1.5684 | |
| 75 | I | A | 3.2020 | |
| 76 | I | A | 3.3964 | |
| 77 | T | A | 2.2178 | |
| 78 | V | A | 2.5442 | |
| 79 | S | A | 1.4258 | |
| 80 | S | A | 1.3717 | |
| 81 | V | A | 2.8083 | |
| 82 | L | A | 2.7173 | |
| 83 | T | A | 1.6146 | |
| 84 | I | A | 1.5562 | |
| 85 | Q | A | -1.0024 | |
| 86 | R | A | -2.1665 | |
| 87 | P | A | -1.8747 | |
| 88 | G | A | -2.0238 | |
| 89 | D | A | -2.3820 | |
| 90 | G | A | -1.7109 | |
| 91 | P | A | -0.8763 | |
| 92 | A | A | 0.0947 | |
| 93 | S | A | 0.2983 | |
| 94 | V | A | 0.7401 | |
| 95 | R | A | -1.2564 | |
| 96 | P | A | -1.0590 | |
| 97 | S | A | -1.3533 | |
| 98 | S | A | -1.5505 | |
| 99 | Q | A | -2.0873 | |
| 100 | D | A | -2.1612 | |
| 101 | S | A | -0.5404 | |
| 102 | V | A | 0.9866 | |
| 103 | S | A | 0.3280 | |
| 104 | A | A | -0.5549 | |
| 105 | G | A | -1.6079 | |
| 106 | E | A | -2.9679 | |
| 107 | K | A | -3.0574 | |
| 108 | P | A | -1.8249 | |
| 109 | P | A | -1.2274 | |
| 110 | R | A | -1.1536 | |
| 111 | L | A | 0.6678 | |
| 112 | Y | A | 0.0000 | |
| 113 | D | A | -1.9007 | |
| 114 | R | A | -2.5291 | |
| 115 | R | A | -2.7529 | |
| 116 | S | A | -1.9351 | |
| 117 | I | A | 0.0000 | |
| 118 | F | A | 0.0000 | |
| 119 | D | A | -2.9154 | |
| 120 | A | A | 0.0000 | |
| 121 | V | A | 0.0000 | |
| 122 | A | A | -1.5936 | |
| 123 | Q | A | -2.1034 | |
| 124 | S | A | -2.1495 | |
| 125 | N | A | -2.2912 | |
| 126 | C | A | -2.0196 | |
| 127 | Q | A | -2.4522 | |
| 128 | E | A | -2.8804 | |
| 129 | L | A | 0.0000 | |
| 130 | E | A | -2.4964 | |
| 131 | S | A | -1.4112 | |
| 132 | L | A | 0.0000 | |
| 133 | L | A | -0.8828 | |
| 134 | P | A | -1.0699 | |
| 135 | F | A | -1.0945 | |
| 136 | L | A | 0.0000 | |
| 137 | Q | A | -2.5798 | |
| 138 | R | A | -2.7135 | |
| 139 | S | A | -2.3564 | |
| 140 | K | A | -3.2322 | |
| 141 | K | A | -3.1781 | |
| 142 | R | A | -2.8982 | |
| 143 | L | A | 0.0000 | |
| 144 | T | A | 0.0000 | |
| 145 | D | A | -1.7853 | |
| 146 | S | A | -1.7897 | |
| 147 | E | A | -2.7349 | |
| 148 | F | A | 0.0000 | |
| 149 | K | A | -1.6926 | |
| 150 | D | A | -1.8070 | |
| 151 | P | A | -1.7588 | |
| 152 | E | A | -2.2304 | |
| 153 | T | A | -1.3717 | |
| 154 | G | A | -1.1461 | |
| 155 | K | A | -0.8406 | |
| 156 | T | A | 0.0000 | |
| 157 | C | A | 0.0000 | |
| 158 | L | A | 0.0000 | |
| 159 | L | A | 0.0000 | |
| 160 | K | A | -0.7959 | |
| 161 | A | A | 0.0000 | |
| 162 | M | A | 0.0000 | |
| 163 | L | A | 0.0000 | |
| 164 | N | A | -1.3181 | |
| 165 | L | A | -1.6626 | |
| 166 | H | A | -2.1410 | |
| 167 | N | A | -2.0626 | |
| 168 | G | A | -2.0687 | |
| 169 | Q | A | -2.3664 | |
| 170 | N | A | 0.0000 | |
| 171 | D | A | -2.1319 | |
| 172 | T | A | 0.0000 | |
| 173 | I | A | 0.0000 | |
| 174 | A | A | -0.6511 | |
| 175 | L | A | -0.8351 | |
| 176 | L | A | 0.0000 | |
| 177 | L | A | 0.0000 | |
| 178 | D | A | -1.8120 | |
| 179 | V | A | 0.0000 | |
| 180 | A | A | 0.0000 | |
| 181 | R | A | -3.5337 | |
| 182 | K | A | -3.2767 | |
| 183 | T | A | -3.0351 | |
| 184 | D | A | -3.3911 | |
| 185 | S | A | 0.0000 | |
| 186 | L | A | -2.7009 | |
| 187 | K | A | -2.8856 | |
| 188 | Q | A | -2.3335 | |
| 189 | F | A | 0.0000 | |
| 190 | V | A | 0.0000 | |
| 191 | N | A | -1.3900 | |
| 192 | A | A | -0.8904 | |
| 193 | S | A | -0.5717 | |
| 194 | Y | A | 0.0000 | |
| 195 | T | A | -0.9043 | |
| 196 | D | A | -1.1765 | |
| 197 | S | A | -0.9026 | |
| 198 | Y | A | -0.5805 | |
| 199 | Y | A | -0.4446 | |
| 200 | K | A | -1.1647 | |
| 201 | G | A | -0.7090 | |
| 202 | Q | A | 0.0000 | |
| 203 | T | A | 0.0000 | |
| 204 | A | A | 0.0000 | |
| 205 | L | A | 0.0000 | |
| 206 | H | A | 0.0000 | |
| 207 | I | A | 0.0000 | |
| 208 | A | A | 0.0000 | |
| 209 | I | A | 0.0000 | |
| 210 | E | A | -2.7931 | |
| 211 | R | A | -3.0385 | |
| 212 | R | A | -3.1525 | |
| 213 | N | A | -1.8307 | |
| 214 | M | A | -0.3899 | |
| 215 | T | A | -0.2816 | |
| 216 | L | A | 0.0000 | |
| 217 | V | A | 0.0000 | |
| 218 | T | A | -0.2526 | |
| 219 | L | A | -0.2469 | |
| 220 | L | A | 0.0000 | |
| 221 | V | A | 0.0000 | |
| 222 | E | A | -1.6052 | |
| 223 | N | A | -1.5032 | |
| 224 | G | A | -1.2705 | |
| 225 | A | A | 0.0000 | |
| 226 | D | A | -1.2369 | |
| 227 | V | A | 0.0000 | |
| 228 | Q | A | -1.8738 | |
| 229 | A | A | -0.8340 | |
| 230 | A | A | -0.8369 | |
| 231 | A | A | 0.0000 | |
| 232 | N | A | -1.1044 | |
| 233 | G | A | 0.0000 | |
| 234 | D | A | -1.6838 | |
| 235 | F | A | -0.9755 | |
| 236 | F | A | 0.0000 | |
| 237 | K | A | -2.2179 | |
| 238 | K | A | -2.9317 | |
| 239 | T | A | -2.6835 | |
| 240 | K | A | -3.0491 | |
| 241 | G | A | -2.4960 | |
| 242 | R | A | -3.1001 | |
| 243 | P | A | -1.8707 | |
| 244 | G | A | -1.5679 | |
| 245 | F | A | -0.2174 | |
| 246 | Y | A | 0.0000 | |
| 247 | F | A | 0.0000 | |
| 248 | G | A | 0.0000 | |
| 249 | E | A | 0.0000 | |
| 250 | L | A | 0.0000 | |
| 251 | P | A | 0.0000 | |
| 252 | L | A | 0.0000 | |
| 253 | S | A | 0.0000 | |
| 254 | L | A | 0.0000 | |
| 255 | A | A | 0.0000 | |
| 256 | A | A | 0.0000 | |
| 257 | C | A | 0.0000 | |
| 258 | T | A | -1.1294 | |
| 259 | N | A | -1.2084 | |
| 260 | Q | A | 0.0000 | |
| 261 | L | A | -0.2017 | |
| 262 | A | A | -0.2419 | |
| 263 | I | A | 0.0000 | |
| 264 | V | A | 0.0000 | |
| 265 | K | A | -0.9318 | |
| 266 | F | A | -0.4538 | |
| 267 | L | A | 0.0000 | |
| 268 | L | A | 0.0000 | |
| 269 | Q | A | -1.2664 | |
| 270 | N | A | 0.0000 | |
| 271 | S | A | -0.3037 | |
| 272 | W | A | 0.2258 | |
| 273 | Q | A | -0.9363 | |
| 274 | P | A | -1.1785 | |
| 275 | A | A | -1.5475 | |
| 276 | D | A | -2.3635 | |
| 277 | I | A | 0.0000 | |
| 278 | S | A | -1.2163 | |
| 279 | A | A | -1.5265 | |
| 280 | R | A | -1.9802 | |
| 281 | D | A | 0.0000 | |
| 282 | S | A | -0.7033 | |
| 283 | V | A | -0.7736 | |
| 284 | G | A | 0.0000 | |
| 285 | N | A | 0.0000 | |
| 286 | T | A | 0.0000 | |
| 287 | V | A | 0.0000 | |
| 288 | L | A | 0.0000 | |
| 289 | H | A | 0.0000 | |
| 290 | A | A | 0.0000 | |
| 291 | L | A | 0.0000 | |
| 292 | V | A | 0.0000 | |
| 293 | E | A | -0.4326 | |
| 294 | V | A | 0.1082 | |
| 295 | A | A | 0.0000 | |
| 296 | D | A | -1.2894 | |
| 297 | N | A | -1.4281 | |
| 298 | T | A | -0.8781 | |
| 299 | V | A | -0.0852 | |
| 300 | D | A | -1.9856 | |
| 301 | N | A | -1.6533 | |
| 302 | T | A | 0.0000 | |
| 303 | K | A | -1.7946 | |
| 304 | F | A | -1.1250 | |
| 305 | V | A | 0.0000 | |
| 306 | T | A | -0.7535 | |
| 307 | S | A | -0.6461 | |
| 308 | M | A | 0.0000 | |
| 309 | Y | A | 0.0000 | |
| 310 | N | A | -0.6113 | |
| 311 | E | A | -0.7323 | |
| 312 | I | A | 0.0000 | |
| 313 | L | A | 0.0000 | |
| 314 | I | A | -0.8964 | |
| 315 | L | A | 0.0000 | |
| 316 | G | A | 0.0000 | |
| 317 | A | A | -1.4977 | |
| 318 | K | A | -1.9785 | |
| 319 | L | A | -1.0165 | |
| 320 | H | A | -1.5889 | |
| 321 | P | A | -1.7143 | |
| 322 | T | A | -1.1924 | |
| 323 | L | A | -1.0135 | |
| 324 | K | A | -2.2481 | |
| 325 | L | A | 0.0000 | |
| 326 | E | A | -1.5002 | |
| 327 | E | A | -2.2338 | |
| 328 | I | A | -1.1117 | |
| 329 | T | A | -1.2796 | |
| 330 | N | A | 0.0000 | |
| 331 | R | A | -2.7398 | |
| 332 | K | A | -2.5822 | |
| 333 | G | A | -1.7649 | |
| 334 | L | A | -1.2018 | |
| 335 | T | A | 0.0000 | |
| 336 | P | A | 0.0000 | |
| 337 | L | A | 0.0000 | |
| 338 | A | A | 0.0000 | |
| 339 | L | A | 0.0000 | |
| 340 | A | A | 0.0000 | |
| 341 | A | A | 0.0000 | |
| 342 | S | A | -0.0798 | |
| 343 | S | A | -0.6219 | |
| 344 | G | A | 0.0000 | |
| 345 | K | A | -0.7704 | |
| 346 | I | A | -0.3098 | |
| 347 | G | A | -0.2239 | |
| 348 | V | A | 0.0000 | |
| 349 | L | A | 0.0000 | |
| 350 | A | A | -0.0262 | |
| 351 | Y | A | -0.4059 | |
| 352 | I | A | 0.0000 | |
| 353 | L | A | 0.0000 | |
| 354 | Q | A | -1.0151 | |
| 355 | R | A | 0.0000 | |
| 356 | E | A | -2.4026 | |
| 357 | I | A | 0.0000 | |
| 358 | H | A | -2.1728 | |
| 359 | E | A | -2.5097 | |
| 360 | P | A | -1.9943 | |
| 361 | E | A | -2.7211 | |
| 362 | C | A | 0.0000 | |
| 363 | R | A | -2.0835 | |
| 364 | H | A | -0.8195 | |
| 365 | L | A | -1.1565 | |
| 366 | S | A | 0.0000 | |
| 367 | R | A | 0.0000 | |
| 368 | K | A | -1.1097 | |
| 369 | F | A | 0.0000 | |
| 370 | T | A | -0.8592 | |
| 371 | E | A | -1.5902 | |
| 372 | W | A | -1.2482 | |
| 373 | A | A | -0.1025 | |
| 374 | Y | A | 0.8092 | |
| 375 | G | A | 0.7095 | |
| 376 | P | A | 1.0740 | |
| 377 | V | A | 1.1653 | |
| 378 | H | A | -0.1291 | |
| 379 | S | A | 0.0000 | |
| 380 | S | A | 0.0000 | |
| 381 | L | A | 0.0000 | |
| 382 | Y | A | 0.0000 | |
| 383 | D | A | 0.0000 | |
| 384 | L | A | 0.0000 | |
| 385 | S | A | -0.3904 | |
| 386 | C | A | -0.8277 | |
| 387 | I | A | 0.0000 | |
| 388 | D | A | 0.0000 | |
| 389 | T | A | 0.0000 | |
| 390 | C | A | -1.3763 | |
| 391 | E | A | -2.1539 | |
| 392 | K | A | -2.4475 | |
| 393 | N | A | -1.5976 | |
| 394 | S | A | 0.0000 | |
| 395 | V | A | 0.0000 | |
| 396 | L | A | 0.0000 | |
| 397 | E | A | -0.4081 | |
| 398 | V | A | -0.0061 | |
| 399 | I | A | 0.0000 | |
| 400 | A | A | 0.1983 | |
| 401 | Y | A | 0.3689 | |
| 402 | S | A | -0.2227 | |
| 403 | S | A | -1.0619 | |
| 404 | S | A | -1.4314 | |
| 405 | E | A | -2.1373 | |
| 406 | T | A | -1.4161 | |
| 407 | P | A | -1.3769 | |
| 408 | N | A | -1.5985 | |
| 409 | R | A | -1.0558 | |
| 410 | H | A | -0.9975 | |
| 411 | D | A | -0.9098 | |
| 412 | M | A | 0.0000 | |
| 413 | L | A | 0.0000 | |
| 414 | L | A | -0.2665 | |
| 415 | V | A | -0.2650 | |
| 416 | E | A | -0.8860 | |
| 417 | P | A | 0.0000 | |
| 418 | L | A | 0.0000 | |
| 419 | N | A | -1.1384 | |
| 420 | R | A | -1.8460 | |
| 421 | L | A | 0.0000 | |
| 422 | L | A | 0.0000 | |
| 423 | Q | A | -1.7624 | |
| 424 | D | A | -1.7397 | |
| 425 | K | A | 0.0000 | |
| 426 | W | A | 0.0000 | |
| 427 | D | A | -2.2795 | |
| 428 | R | A | -1.6909 | |
| 429 | F | A | 0.0000 | |
| 430 | V | A | 0.0000 | |
| 431 | K | A | -1.3983 | |
| 432 | R | A | -1.5254 | |
| 433 | I | A | 0.2846 | |
| 434 | F | A | 0.0000 | |
| 435 | Y | A | 1.6086 | |
| 436 | F | A | 2.6504 | |
| 437 | N | A | 1.6376 | |
| 438 | F | A | 2.2620 | |
| 439 | F | A | 3.5674 | |
| 440 | V | A | 2.9833 | |
| 441 | Y | A | 0.0000 | |
| 442 | C | A | 2.3725 | |
| 443 | L | A | 2.4211 | |
| 444 | Y | A | 0.0000 | |
| 445 | M | A | 0.0000 | |
| 446 | I | A | 2.5618 | |
| 447 | I | A | 1.7774 | |
| 448 | F | A | 0.0000 | |
| 449 | T | A | 1.6389 | |
| 450 | A | A | 1.4414 | |
| 451 | A | A | 1.4140 | |
| 452 | A | A | 1.2344 | |
| 453 | Y | A | 1.9818 | |
| 454 | Y | A | 1.9938 | |
| 455 | R | A | 0.7880 | |
| 456 | P | A | 0.6231 | |
| 457 | V | A | 1.1813 | |
| 458 | E | A | -0.8067 | |
| 459 | G | A | -0.4500 | |
| 460 | L | A | 0.0778 | |
| 461 | P | A | 0.0000 | |
| 462 | P | A | -0.0530 | |
| 463 | Y | A | -0.8545 | |
| 464 | K | A | -1.8464 | |
| 465 | L | A | -1.2349 | |
| 466 | K | A | -2.1274 | |
| 467 | N | A | -1.5900 | |
| 468 | T | A | 0.1467 | |
| 469 | V | A | 1.8778 | |
| 470 | G | A | 1.3500 | |
| 471 | D | A | 0.8540 | |
| 472 | Y | A | 2.2262 | |
| 473 | F | A | 2.9967 | |
| 474 | R | A | 1.9189 | |
| 475 | V | A | 1.8454 | |
| 476 | T | A | 1.8163 | |
| 477 | G | A | 0.0000 | |
| 478 | E | A | 0.9638 | |
| 479 | I | A | 2.3041 | |
| 480 | L | A | 1.5903 | |
| 481 | S | A | 0.0000 | |
| 482 | V | A | 1.3318 | |
| 483 | S | A | 1.1404 | |
| 484 | G | A | 0.9746 | |
| 485 | G | A | 0.0000 | |
| 486 | V | A | 1.8315 | |
| 487 | Y | A | 1.9617 | |
| 488 | F | A | 0.0000 | |
| 489 | F | A | 1.9316 | |
| 490 | F | A | 2.3136 | |
| 491 | R | A | 0.7761 | |
| 492 | G | A | 0.0000 | |
| 493 | I | A | 0.9666 | |
| 494 | Q | A | -0.4216 | |
| 495 | Y | A | 0.0000 | |
| 496 | F | A | -0.0871 | |
| 497 | L | A | -0.2818 | |
| 498 | Q | A | -1.4705 | |
| 499 | R | A | -1.5003 | |
| 500 | R | A | -1.7731 | |
| 501 | P | A | -0.7377 | |
| 502 | S | A | -0.2894 | |
| 503 | L | A | 0.9153 | |
| 504 | K | A | -0.4847 | |
| 505 | S | A | -0.0934 | |
| 506 | L | A | 0.7515 | |
| 507 | F | A | 1.8387 | |
| 508 | V | A | 0.6043 | |
| 509 | D | A | 0.0216 | |
| 510 | S | A | 0.3908 | |
| 511 | Y | A | 1.0567 | |
| 512 | S | A | 0.6939 | |
| 513 | E | A | 0.4443 | |
| 514 | I | A | 1.0958 | |
| 515 | L | A | 0.9815 | |
| 516 | F | A | 0.0000 | |
| 517 | F | A | 1.4209 | |
| 518 | V | A | 1.5324 | |
| 519 | Q | A | 0.0000 | |
| 520 | S | A | 0.0000 | |
| 521 | L | A | 1.8314 | |
| 522 | F | A | 2.4604 | |
| 523 | M | A | 0.0000 | |
| 524 | L | A | 2.1390 | |
| 525 | V | A | 2.4801 | |
| 526 | S | A | 0.0000 | |
| 527 | V | A | 2.4352 | |
| 528 | V | A | 2.9535 | |
| 529 | L | A | 0.8783 | |
| 530 | Y | A | 0.9379 | |
| 531 | F | A | 2.1241 | |
| 532 | S | A | 0.1620 | |
| 533 | Q | A | -1.0202 | |
| 534 | R | A | -2.6630 | |
| 535 | K | A | -3.1963 | |
| 536 | E | A | -3.0978 | |
| 537 | Y | A | 0.0000 | |
| 538 | V | A | -0.1961 | |
| 539 | A | A | 0.3931 | |
| 540 | S | A | 0.0000 | |
| 541 | M | A | 1.6452 | |
| 542 | V | A | 2.3263 | |
| 543 | F | A | 2.6677 | |
| 544 | S | A | 0.0000 | |
| 545 | L | A | 1.4487 | |
| 546 | A | A | 1.2656 | |
| 547 | M | A | 1.2984 | |
| 548 | G | A | 0.0000 | |
| 549 | W | A | 1.0092 | |
| 550 | T | A | 0.6288 | |
| 551 | N | A | 0.0000 | |
| 552 | M | A | 0.8203 | |
| 553 | L | A | 0.9827 | |
| 554 | Y | A | 0.5923 | |
| 555 | Y | A | 0.0000 | |
| 556 | T | A | 0.5221 | |
| 557 | R | A | 0.1353 | |
| 558 | G | A | -0.0520 | |
| 559 | F | A | -0.0905 | |
| 560 | Q | A | -0.8649 | |
| 561 | Q | A | -0.8548 | |
| 562 | M | A | 0.5605 | |
| 563 | G | A | 0.0000 | |
| 564 | I | A | 0.3686 | |
| 565 | Y | A | 1.6610 | |
| 566 | A | A | 0.0000 | |
| 567 | V | A | 0.0000 | |
| 568 | M | A | 1.5502 | |
| 569 | I | A | 1.9562 | |
| 570 | E | A | 0.0000 | |
| 571 | K | A | 0.3169 | |
| 572 | M | A | 0.8195 | |
| 573 | I | A | 1.1013 | |
| 574 | L | A | 0.5324 | |
| 575 | R | A | -1.3567 | |
| 576 | D | A | 0.0000 | |
| 577 | L | A | 0.7060 | |
| 578 | C | A | 0.4515 | |
| 579 | R | A | -0.2812 | |
| 580 | F | A | 0.9616 | |
| 581 | M | A | 1.7944 | |
| 582 | F | A | 2.8231 | |
| 583 | V | A | 2.4591 | |
| 584 | Y | A | 0.0000 | |
| 585 | L | A | 3.0207 | |
| 586 | V | A | 3.5580 | |
| 587 | F | A | 2.5767 | |
| 588 | L | A | 0.0000 | |
| 589 | F | A | 3.0208 | |
| 590 | G | A | 1.4805 | |
| 591 | F | A | 1.1907 | |
| 592 | S | A | 0.0000 | |
| 593 | T | A | 0.9536 | |
| 594 | A | A | 0.5104 | |
| 595 | V | A | 0.0000 | |
| 596 | V | A | 0.0000 | |
| 597 | T | A | -0.8032 | |
| 598 | L | A | -0.6787 | |
| 599 | I | A | -1.8234 | |
| 600 | E | A | -3.4508 | |
| 601 | D | A | -3.7517 | |
| 602 | G | A | -3.6272 | |
| 603 | K | A | -3.7630 | |
| 604 | N | A | -3.2667 | |
| 605 | N | A | -2.3275 | |
| 606 | S | A | -0.5792 | |
| 607 | L | A | 1.1002 | |
| 608 | P | A | 0.5529 | |
| 609 | M | A | 0.3039 | |
| 610 | E | A | -1.4733 | |
| 611 | S | A | -1.1159 | |
| 612 | T | A | -0.9338 | |
| 613 | P | A | -1.0910 | |
| 614 | H | A | -2.0434 | |
| 615 | K | A | -2.4860 | |
| 616 | C | A | -1.3423 | |
| 617 | R | A | -2.3853 | |
| 618 | G | A | -1.3550 | |
| 619 | S | A | -0.7741 | |
| 620 | A | A | -0.4911 | |
| 621 | C | A | -0.2740 | |
| 622 | K | A | -1.8180 | |
| 623 | P | A | -1.4995 | |
| 624 | G | A | -1.5851 | |
| 625 | N | A | -2.0612 | |
| 626 | S | A | -1.3090 | |
| 627 | Y | A | -0.6982 | |
| 628 | N | A | -1.4092 | |
| 629 | S | A | -0.0104 | |
| 630 | L | A | 1.7325 | |
| 631 | Y | A | 2.0067 | |
| 632 | S | A | 0.7924 | |
| 633 | T | A | 0.0000 | |
| 634 | C | A | 1.6308 | |
| 635 | L | A | 1.1063 | |
| 636 | E | A | 0.5060 | |
| 637 | L | A | 0.0000 | |
| 638 | F | A | 1.2179 | |
| 639 | K | A | 0.4723 | |
| 640 | F | A | 1.0048 | |
| 641 | T | A | 1.6062 | |
| 642 | I | A | 2.2273 | |
| 643 | G | A | 0.7422 | |
| 644 | M | A | 1.0229 | |
| 645 | G | A | -0.0358 | |
| 646 | D | A | -1.5277 | |
| 647 | L | A | -0.2119 | |
| 648 | E | A | -2.1904 | |
| 649 | F | A | -1.3438 | |
| 650 | T | A | -1.6867 | |
| 651 | E | A | -2.9980 | |
| 652 | N | A | -2.6869 | |
| 653 | Y | A | -1.9131 | |
| 654 | D | A | -1.9206 | |
| 655 | F | A | 0.4562 | |
| 656 | K | A | -0.4443 | |
| 657 | A | A | 1.3253 | |
| 658 | V | A | 2.7955 | |
| 659 | F | A | 0.0000 | |
| 660 | I | A | 2.5900 | |
| 661 | I | A | 3.3850 | |
| 662 | L | A | 2.5398 | |
| 663 | L | A | 0.0000 | |
| 664 | L | A | 3.1351 | |
| 665 | A | A | 2.5045 | |
| 666 | Y | A | 0.0000 | |
| 667 | V | A | 3.2880 | |
| 668 | I | A | 3.7693 | |
| 669 | L | A | 2.9787 | |
| 670 | T | A | 0.0000 | |
| 671 | Y | A | 3.3077 | |
| 672 | I | A | 2.8649 | |
| 673 | L | A | 2.4499 | |
| 674 | L | A | 0.0000 | |
| 675 | L | A | 2.0294 | |
| 676 | N | A | 0.8821 | |
| 677 | M | A | 1.2140 | |
| 678 | L | A | 1.4384 | |
| 679 | I | A | 1.8204 | |
| 680 | A | A | 0.6707 | |
| 681 | L | A | 0.1916 | |
| 682 | M | A | 0.2497 | |
| 683 | G | A | -0.5764 | |
| 684 | E | A | -2.1356 | |
| 685 | T | A | -1.4497 | |
| 686 | V | A | -0.9396 | |
| 687 | N | A | -2.7694 | |
| 688 | K | A | -3.1459 | |
| 689 | I | A | 0.0000 | |
| 690 | A | A | -1.7045 | |
| 691 | Q | A | -2.5213 | |
| 692 | E | A | -2.4188 | |
| 693 | S | A | 0.0000 | |
| 694 | K | A | -1.8438 | |
| 695 | N | A | -1.3553 | |
| 696 | I | A | -0.8281 | |
| 697 | W | A | 0.0000 | |
| 698 | K | A | -0.8158 | |
| 699 | L | A | 0.0000 | |
| 700 | Q | A | 0.0000 | |
| 701 | R | A | 0.0000 | |
| 702 | A | A | 0.0000 | |
| 703 | I | A | 0.2135 | |
| 704 | T | A | 0.0000 | |
| 705 | I | A | 0.0000 | |
| 706 | L | A | 0.0000 | |
| 707 | D | A | -0.4099 | |
| 708 | T | A | -0.2193 | |
| 709 | E | A | 0.0000 | |
| 710 | K | A | -0.6710 | |
| 711 | S | A | -0.5049 | |
| 712 | F | A | 0.2312 | |
| 713 | L | A | 0.7545 | |
| 714 | K | A | -0.9772 | |
| 715 | C | A | 0.0821 | |
| 716 | M | A | 0.1465 | |
| 717 | R | A | -0.7765 | |
| 718 | K | A | -1.4737 | |
| 719 | A | A | -0.5447 | |
| 720 | F | A | 0.0577 | |
| 721 | R | A | -0.7022 | |
| 722 | S | A | 0.0000 | |
| 723 | G | A | -1.0431 | |
| 724 | K | A | -1.5014 | |
| 725 | L | A | 0.1416 | |
| 726 | L | A | -0.0021 | |
| 727 | Q | A | -0.3447 | |
| 728 | V | A | 0.0000 | |
| 729 | G | A | 0.0000 | |
| 730 | F | A | -0.3408 | |
| 731 | T | A | -1.3297 | |
| 732 | P | A | -2.1148 | |
| 733 | D | A | -2.6018 | |
| 734 | G | A | -2.0895 | |
| 735 | K | A | -2.6883 | |
| 736 | D | A | -2.1541 | |
| 737 | D | A | 0.0000 | |
| 738 | Y | A | 0.5660 | |
| 739 | R | A | 0.1628 | |
| 740 | W | A | -0.0243 | |
| 741 | C | A | 0.0000 | |
| 742 | F | A | -1.1954 | |
| 743 | R | A | -2.2397 | |
| 744 | V | A | 0.0000 | |
| 745 | D | A | -1.7594 | |
| 746 | E | A | -0.6208 | |
| 747 | V | A | 1.2090 | |
| 748 | N | A | 0.7451 | |
| 749 | W | A | 1.2790 | |
| 750 | T | A | 0.4400 | |
| 751 | T | A | 0.1004 | |
| 752 | W | A | 0.6404 | |
| 753 | N | A | -0.8560 | |
| 754 | T | A | -0.8303 | |
| 755 | N | A | -0.2097 | |
| 756 | V | A | 1.1241 | |
| 757 | G | A | 0.5818 | |
| 758 | I | A | 1.5649 | |
| 759 | I | A | 0.1132 | |
| 760 | N | A | -1.8984 | |
| 761 | E | A | -2.5367 | |
| 762 | D | A | -3.1191 | |
| 763 | P | A | -1.8762 | |
| 764 | G | A | -2.1069 | |
| 765 | N | A | -1.8093 | |
| 766 | C | A | -0.9816 | |
| 767 | E | A | -1.9108 | |
| 768 | G | A | -1.0792 | |
| 769 | V | A | -0.2881 | |
| 770 | K | A | -1.8356 | |
| 771 | R | A | -1.6373 | |
| 772 | T | A | -0.0648 | |
| 773 | L | A | 1.3654 | |
| 774 | S | A | 1.4289 | |
| 775 | F | A | 2.2138 | |
| 776 | S | A | 1.2178 | |
| 777 | L | A | 0.8808 | |
| 778 | R | A | -1.3459 | |
| 779 | S | A | -1.2482 | |
| 780 | G | A | -1.4151 | |
| 781 | R | A | -1.3505 | |
| 782 | V | A | 0.5233 | |
| 783 | S | A | -0.5222 | |
| 784 | G | A | -1.5206 | |
| 785 | R | A | -2.7120 | |
| 786 | N | A | -2.3001 | |
| 787 | W | A | -0.7163 | |
| 788 | K | A | -1.7849 | |
| 789 | N | A | -0.7708 | |
| 790 | F | A | 1.8447 | |
| 791 | A | A | 1.6888 | |
| 792 | L | A | 3.1756 | |
| 793 | V | A | 3.2108 | |
| 794 | P | A | 1.4751 | |
| 795 | L | A | 1.9213 | |
| 796 | L | A | 1.2176 | |
| 797 | R | A | -1.3965 | |
| 798 | D | A | -2.3170 | |
| 799 | A | A | -1.5356 | |
| 800 | S | A | -2.3755 | |
| 801 | T | A | -2.7566 | |
| 802 | R | A | -3.7208 | |
| 803 | D | A | -3.9019 | |
| 804 | R | A | -3.7144 | |
| 805 | H | A | -2.7976 | |
| 806 | A | A | -1.6208 | |
| 807 | T | A | -1.6728 | |
| 808 | Q | A | -2.6235 | |
| 809 | Q | A | -2.9371 | |
| 810 | E | A | -3.2899 | |
| 811 | E | A | -2.4139 | |
| 812 | V | A | -0.0861 | |
| 813 | Q | A | -0.9423 | |
| 814 | L | A | 0.2625 | |
| 815 | K | A | -1.2776 | |
| 816 | H | A | -1.1201 | |
| 817 | Y | A | 0.4110 | |
| 818 | T | A | -0.0394 | |
| 819 | G | A | -0.5052 | |
| 820 | S | A | -0.0660 | |
| 821 | L | A | -0.2274 | |
| 822 | K | A | -2.1621 | |
| 823 | P | A | -2.2915 | |
| 824 | E | A | -3.3189 | |
| 825 | D | A | -2.7510 | |
| 826 | A | A | -1.8758 | |
| 827 | E | A | -1.9986 | |
| 828 | V | A | 0.3801 | |
| 829 | F | A | 0.7948 | |
| 830 | K | A | -1.4512 | |
| 831 | D | A | -1.6320 | |
| 832 | S | A | -0.3089 | |
| 833 | M | A | 1.0333 | |
| 834 | V | A | 1.7571 | |
| 835 | P | A | 0.2466 | |
| 836 | G | A | -1.3510 | |
| 837 | E | A | -2.9866 | |
| 838 | K | A | -2.7458 |
Calculations for various pH values
This page contains details and comparisons for all models calculated at different pH points.
pH |
Average A3D Score |
Max A3D Score |
|||
| 4.0 | -0.097 | 6.9035 | View | CSV | PDB |
| 4.5 | -0.1625 | 6.9035 | View | CSV | PDB |
| 5.0 | -0.2429 | 6.9035 | View | CSV | PDB |
| 5.5 | -0.3222 | 6.9035 | View | CSV | PDB |
| 6.0 | -0.3841 | 6.9035 | View | CSV | PDB |
| 6.5 | -0.4182 | 6.9035 | View | CSV | PDB |
| 7.0 | -0.4251 | 6.9035 | View | CSV | PDB |
| 7.5 | -0.4132 | 6.9034 | View | CSV | PDB |
| 8.0 | -0.3904 | 6.9034 | View | CSV | PDB |
| 8.5 | -0.3594 | 6.9031 | View | CSV | PDB |
| 9.0 | -0.3197 | 6.9023 | 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