| Chain sequence(s) | MEKWASLDSDESEPPAQENSCPDPPDRDPNSKPPPAKPHIFATRSRTRLFGKGDSEEASPMDCPYEEGGLASCPIITVSSVVTLQRSVDGPTCLRQTSQDSVSTGVETPPRLYDRRSIFDAVAQSNCQELESLLSFLQKSKKRLTDSEFKDPETGKTCLLKAMLNLHNGQNDTIALLLDIARKTDSLKQFVNASYTDSYYKGQTALHIAIERRNMALVTLLVENGADVQAAANGDFFKKTKGRPGFYFGELPLSLAACTNQLAIVKFLLQNSWQPADISARDSVGNTVLHALVEVADNTADNTKFVTNMYNEILILGAKLHPTLKLEELTNKKGLTPLALAASSGKIGVLAYILQREIHEPECRHLSRKFTEWAYGPVHSSLYDLSCIDTCEKNSVLEVIAYSSSETPNRHDMLLVEPLNRLLQDKWDRFVKRIFYFNFFVYCLYMIIFTTAAYYRPVEGLPPYKLNNTVGDYFRVTGEILSVSGGVYFFFRGIQYFLQRRPSLKSLFVDSYSEILFFVQSLFMLVSVVLYFSHRKEYVASMVFSLAMGWTNMLYYTRGFQQMGIYAVMIEKMILRDLCRFMFVYLVFLFGFSTAVVTLIEDGKNNSLPVESPPHKCRGSACRPGNSYNSLYSTCLELFKFTIGMGDLEFTENYDFKAVFIILLLAYVILTYILLLNMLIALMGETVNKIAQESKNIWKLQRAITILDTEKSFLKCMRKAFRSGKLLQVGFTPDGKDDFRWCFRVDEVNWTTWNTNVGIINEDPGNCEGVKRTLSFSLRSGRVSGRNWKNFALVPLLRDASTRDRHSTQPEEVQLKHYTGSLKPEDAEVFKDSMAPGEK 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. (00:00:03)
[INFO] FoldX: Starting FoldX energy minimization (00:00:03)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:28:24)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/91b7b824f6c1a/tmp/folded.pdb (00:28:24)
[INFO] Main: Simulation completed successfully. (00:47:10)
|
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 | -0.3168 | |
| 2 | E | A | -1.9328 | |
| 3 | K | A | -1.8816 | |
| 4 | W | A | 0.0701 | |
| 5 | A | A | 0.1094 | |
| 6 | S | A | 0.2703 | |
| 7 | L | A | 0.4007 | |
| 8 | D | A | -1.4409 | |
| 9 | S | A | -2.0281 | |
| 10 | D | A | -3.1814 | |
| 11 | E | A | -3.2355 | |
| 12 | S | A | -2.5136 | |
| 13 | E | A | -2.4920 | |
| 14 | P | A | -1.2721 | |
| 15 | P | A | -0.9920 | |
| 16 | A | A | -1.0730 | |
| 17 | Q | A | -2.5214 | |
| 18 | E | A | -3.1347 | |
| 19 | N | A | -2.3540 | |
| 20 | S | A | -0.9168 | |
| 21 | C | A | -0.2078 | |
| 22 | P | A | -0.7859 | |
| 23 | D | A | -1.9502 | |
| 24 | P | A | -1.9577 | |
| 25 | P | A | -2.0629 | |
| 26 | D | A | -3.3469 | |
| 27 | R | A | -3.9415 | |
| 28 | D | A | -3.5304 | |
| 29 | P | A | -2.5704 | |
| 30 | N | A | -2.4647 | |
| 31 | S | A | -1.9886 | |
| 32 | K | A | -2.3094 | |
| 33 | P | A | -1.2972 | |
| 34 | P | A | -1.1141 | |
| 35 | P | A | -0.9829 | |
| 36 | A | A | -1.1370 | |
| 37 | K | A | -1.8513 | |
| 38 | P | A | -1.0582 | |
| 39 | H | A | -0.0571 | |
| 40 | I | A | 2.1925 | |
| 41 | F | A | 2.4511 | |
| 42 | A | A | 0.8644 | |
| 43 | T | A | -0.1930 | |
| 44 | R | A | -2.1547 | |
| 45 | S | A | -2.2151 | |
| 46 | R | A | -2.8509 | |
| 47 | T | A | -1.5417 | |
| 48 | R | A | -1.1661 | |
| 49 | L | A | 1.3030 | |
| 50 | F | A | 1.6351 | |
| 51 | G | A | -0.3078 | |
| 52 | K | A | -2.0657 | |
| 53 | G | A | -2.2770 | |
| 54 | D | A | -3.3287 | |
| 55 | S | A | -2.8679 | |
| 56 | E | A | -3.3679 | |
| 57 | E | A | -3.0248 | |
| 58 | A | A | -1.6629 | |
| 59 | S | A | -1.1995 | |
| 60 | P | A | -0.6623 | |
| 61 | M | A | -0.2479 | |
| 62 | D | A | -0.5922 | |
| 63 | C | A | -0.0931 | |
| 64 | P | A | -0.5031 | |
| 65 | Y | A | -0.6627 | |
| 66 | E | A | -2.1632 | |
| 67 | E | A | -2.5070 | |
| 68 | G | A | -1.4527 | |
| 69 | G | A | -0.3534 | |
| 70 | L | A | 1.0313 | |
| 71 | A | A | 0.7255 | |
| 72 | S | A | 0.7061 | |
| 73 | C | A | 1.3756 | |
| 74 | P | A | 1.5581 | |
| 75 | I | A | 3.1691 | |
| 76 | I | A | 3.3739 | |
| 77 | T | A | 2.1988 | |
| 78 | V | A | 2.4995 | |
| 79 | S | A | 1.3830 | |
| 80 | S | A | 1.3152 | |
| 81 | V | A | 2.8202 | |
| 82 | V | A | 2.7954 | |
| 83 | T | A | 1.7870 | |
| 84 | L | A | 1.1654 | |
| 85 | Q | A | -1.1999 | |
| 86 | R | A | -1.9691 | |
| 87 | S | A | -0.7445 | |
| 88 | V | A | 0.3166 | |
| 89 | D | A | -1.4643 | |
| 90 | G | A | -1.1441 | |
| 91 | P | A | -0.8079 | |
| 92 | T | A | 0.3790 | |
| 93 | C | A | 0.9918 | |
| 94 | L | A | 0.6416 | |
| 95 | R | A | -1.4958 | |
| 96 | Q | A | -1.8599 | |
| 97 | T | A | -1.6149 | |
| 98 | S | A | -1.4854 | |
| 99 | Q | A | -2.2643 | |
| 100 | D | A | -2.1790 | |
| 101 | S | A | -0.5313 | |
| 102 | V | A | 1.1780 | |
| 103 | S | A | 0.4646 | |
| 104 | T | A | 0.1401 | |
| 105 | G | A | -0.1444 | |
| 106 | V | A | 0.6024 | |
| 107 | E | A | -1.2091 | |
| 108 | T | A | -0.9023 | |
| 109 | P | A | -0.7660 | |
| 110 | P | A | -0.8062 | |
| 111 | R | A | -0.8897 | |
| 112 | L | A | 0.5583 | |
| 113 | Y | A | 0.0000 | |
| 114 | D | A | -2.1768 | |
| 115 | R | A | -2.6436 | |
| 116 | R | A | -2.7998 | |
| 117 | S | A | -2.0505 | |
| 118 | I | A | 0.0000 | |
| 119 | F | A | -1.8616 | |
| 120 | D | A | -2.6827 | |
| 121 | A | A | 0.0000 | |
| 122 | V | A | 0.0000 | |
| 123 | A | A | -1.5185 | |
| 124 | Q | A | -1.9599 | |
| 125 | S | A | -2.1091 | |
| 126 | N | A | -2.1944 | |
| 127 | C | A | -1.8939 | |
| 128 | Q | A | -2.3190 | |
| 129 | E | A | -2.4983 | |
| 130 | L | A | 0.0000 | |
| 131 | E | A | -2.3723 | |
| 132 | S | A | -1.2714 | |
| 133 | L | A | 0.0000 | |
| 134 | L | A | -0.9856 | |
| 135 | S | A | -1.2558 | |
| 136 | F | A | -1.2251 | |
| 137 | L | A | 0.0000 | |
| 138 | Q | A | -2.8147 | |
| 139 | K | A | -2.7653 | |
| 140 | S | A | -2.4851 | |
| 141 | K | A | -3.3895 | |
| 142 | K | A | -3.4297 | |
| 143 | R | A | -2.8724 | |
| 144 | L | A | 0.0000 | |
| 145 | T | A | 0.0000 | |
| 146 | D | A | -1.7449 | |
| 147 | S | A | -1.7379 | |
| 148 | E | A | -2.7877 | |
| 149 | F | A | 0.0000 | |
| 150 | K | A | -1.5158 | |
| 151 | D | A | -1.5895 | |
| 152 | P | A | -1.6692 | |
| 153 | E | A | -2.1689 | |
| 154 | T | A | -1.3166 | |
| 155 | G | A | 0.0000 | |
| 156 | K | A | 0.0000 | |
| 157 | T | A | 0.0000 | |
| 158 | C | A | 0.0000 | |
| 159 | L | A | 0.0000 | |
| 160 | L | A | 0.0000 | |
| 161 | K | A | -0.5090 | |
| 162 | A | A | 0.0000 | |
| 163 | M | A | 0.0000 | |
| 164 | L | A | 0.0000 | |
| 165 | N | A | -1.1180 | |
| 166 | L | A | -1.7629 | |
| 167 | H | A | -2.3807 | |
| 168 | N | A | -2.1736 | |
| 169 | G | A | -2.1788 | |
| 170 | Q | A | -2.4201 | |
| 171 | N | A | 0.0000 | |
| 172 | D | A | -2.1316 | |
| 173 | T | A | 0.0000 | |
| 174 | I | A | 0.0000 | |
| 175 | A | A | -0.4064 | |
| 176 | L | A | -0.6320 | |
| 177 | L | A | 0.0000 | |
| 178 | L | A | 0.0000 | |
| 179 | D | A | -1.4617 | |
| 180 | I | A | 0.0000 | |
| 181 | A | A | 0.0000 | |
| 182 | R | A | -3.3599 | |
| 183 | K | A | -3.1740 | |
| 184 | T | A | -2.9929 | |
| 185 | D | A | -3.3144 | |
| 186 | S | A | 0.0000 | |
| 187 | L | A | -2.6415 | |
| 188 | K | A | -2.9561 | |
| 189 | Q | A | -2.4462 | |
| 190 | F | A | 0.0000 | |
| 191 | V | A | 0.0000 | |
| 192 | N | A | -1.4002 | |
| 193 | A | A | 0.0000 | |
| 194 | S | A | -0.5367 | |
| 195 | Y | A | 0.0000 | |
| 196 | T | A | -0.8898 | |
| 197 | D | A | -1.2104 | |
| 198 | S | A | -0.9613 | |
| 199 | Y | A | -0.6078 | |
| 200 | Y | A | -0.5205 | |
| 201 | K | A | -1.2575 | |
| 202 | G | A | -0.7326 | |
| 203 | Q | A | 0.0000 | |
| 204 | T | A | 0.0000 | |
| 205 | A | A | 0.0000 | |
| 206 | L | A | 0.0000 | |
| 207 | H | A | 0.0000 | |
| 208 | I | A | 0.0000 | |
| 209 | A | A | 0.0000 | |
| 210 | I | A | 0.0000 | |
| 211 | E | A | -2.7428 | |
| 212 | R | A | -2.9858 | |
| 213 | R | A | -3.0945 | |
| 214 | N | A | -1.7850 | |
| 215 | M | A | -0.3147 | |
| 216 | A | A | -0.1610 | |
| 217 | L | A | 0.0000 | |
| 218 | V | A | 0.0000 | |
| 219 | T | A | -0.2069 | |
| 220 | L | A | -0.2087 | |
| 221 | L | A | 0.0000 | |
| 222 | V | A | 0.0000 | |
| 223 | E | A | -1.7016 | |
| 224 | N | A | -1.5260 | |
| 225 | G | A | -1.4962 | |
| 226 | A | A | 0.0000 | |
| 227 | D | A | -1.4383 | |
| 228 | V | A | 0.0000 | |
| 229 | Q | A | -1.9895 | |
| 230 | A | A | -0.9005 | |
| 231 | A | A | -0.9382 | |
| 232 | A | A | 0.0000 | |
| 233 | N | A | -1.2107 | |
| 234 | G | A | 0.0000 | |
| 235 | D | A | -1.8857 | |
| 236 | F | A | -1.1403 | |
| 237 | F | A | 0.0000 | |
| 238 | K | A | -2.2651 | |
| 239 | K | A | -2.9693 | |
| 240 | T | A | -2.7379 | |
| 241 | K | A | -3.0504 | |
| 242 | G | A | -2.5047 | |
| 243 | R | A | -3.1417 | |
| 244 | P | A | -1.9389 | |
| 245 | G | A | -1.6450 | |
| 246 | F | A | -0.3331 | |
| 247 | Y | A | 0.0000 | |
| 248 | F | A | 0.0000 | |
| 249 | G | A | 0.0000 | |
| 250 | E | A | 0.0000 | |
| 251 | L | A | 0.0000 | |
| 252 | P | A | 0.0000 | |
| 253 | L | A | 0.0000 | |
| 254 | S | A | 0.0000 | |
| 255 | L | A | 0.0000 | |
| 256 | A | A | 0.0000 | |
| 257 | A | A | 0.0000 | |
| 258 | C | A | 0.0000 | |
| 259 | T | A | -0.8224 | |
| 260 | N | A | -1.0487 | |
| 261 | Q | A | 0.0000 | |
| 262 | L | A | -0.1313 | |
| 263 | A | A | -0.1248 | |
| 264 | I | A | 0.0000 | |
| 265 | V | A | 0.0000 | |
| 266 | K | A | -0.8596 | |
| 267 | F | A | -0.4235 | |
| 268 | L | A | 0.0000 | |
| 269 | L | A | 0.0000 | |
| 270 | Q | A | -1.3160 | |
| 271 | N | A | 0.0000 | |
| 272 | S | A | -0.4536 | |
| 273 | W | A | -0.1490 | |
| 274 | Q | A | -1.2602 | |
| 275 | P | A | -1.2917 | |
| 276 | A | A | -1.5604 | |
| 277 | D | A | -2.2753 | |
| 278 | I | A | 0.0000 | |
| 279 | S | A | -1.1911 | |
| 280 | A | A | -1.6298 | |
| 281 | R | A | -2.2759 | |
| 282 | D | A | 0.0000 | |
| 283 | S | A | -0.7239 | |
| 284 | V | A | -0.6362 | |
| 285 | G | A | -1.3323 | |
| 286 | N | A | 0.0000 | |
| 287 | T | A | 0.0000 | |
| 288 | V | A | 0.0000 | |
| 289 | L | A | 0.0000 | |
| 290 | H | A | 0.0000 | |
| 291 | A | A | 0.0000 | |
| 292 | L | A | 0.0000 | |
| 293 | V | A | 0.0000 | |
| 294 | E | A | -0.4465 | |
| 295 | V | A | 0.1139 | |
| 296 | A | A | 0.0000 | |
| 297 | D | A | -1.5235 | |
| 298 | N | A | -1.9993 | |
| 299 | T | A | -1.6012 | |
| 300 | A | A | -1.5206 | |
| 301 | D | A | -2.5971 | |
| 302 | N | A | -2.0118 | |
| 303 | T | A | 0.0000 | |
| 304 | K | A | -2.3080 | |
| 305 | F | A | -1.5621 | |
| 306 | V | A | 0.0000 | |
| 307 | T | A | 0.0000 | |
| 308 | N | A | -1.7062 | |
| 309 | M | A | 0.0000 | |
| 310 | Y | A | 0.0000 | |
| 311 | N | A | -0.9226 | |
| 312 | E | A | -1.0819 | |
| 313 | I | A | 0.0000 | |
| 314 | L | A | 0.0000 | |
| 315 | I | A | -0.9571 | |
| 316 | L | A | 0.0000 | |
| 317 | G | A | 0.0000 | |
| 318 | A | A | -1.5301 | |
| 319 | K | A | -2.0018 | |
| 320 | L | A | -1.0500 | |
| 321 | H | A | -1.5496 | |
| 322 | P | A | -1.7285 | |
| 323 | T | A | -1.1919 | |
| 324 | L | A | -1.0224 | |
| 325 | K | A | -2.2390 | |
| 326 | L | A | 0.0000 | |
| 327 | E | A | -1.4358 | |
| 328 | E | A | -2.2411 | |
| 329 | L | A | -1.1909 | |
| 330 | T | A | -1.3278 | |
| 331 | N | A | 0.0000 | |
| 332 | K | A | -2.6162 | |
| 333 | K | A | -2.5118 | |
| 334 | G | A | -1.7638 | |
| 335 | L | A | -1.2223 | |
| 336 | T | A | 0.0000 | |
| 337 | P | A | 0.0000 | |
| 338 | L | A | 0.0000 | |
| 339 | A | A | 0.0000 | |
| 340 | L | A | 0.0000 | |
| 341 | A | A | 0.0000 | |
| 342 | A | A | 0.0000 | |
| 343 | S | A | -0.1164 | |
| 344 | S | A | -0.6134 | |
| 345 | G | A | 0.0000 | |
| 346 | K | A | -0.7290 | |
| 347 | I | A | -0.2969 | |
| 348 | G | A | -0.4215 | |
| 349 | V | A | 0.0000 | |
| 350 | L | A | 0.0000 | |
| 351 | A | A | 0.0131 | |
| 352 | Y | A | -0.3389 | |
| 353 | I | A | 0.0000 | |
| 354 | L | A | 0.0000 | |
| 355 | Q | A | -0.6804 | |
| 356 | R | A | 0.0000 | |
| 357 | E | A | -1.1256 | |
| 358 | I | A | 0.0000 | |
| 359 | H | A | -2.2186 | |
| 360 | E | A | -2.7762 | |
| 361 | P | A | -2.1010 | |
| 362 | E | A | -2.7302 | |
| 363 | C | A | 0.0000 | |
| 364 | R | A | -1.6555 | |
| 365 | H | A | -0.6521 | |
| 366 | L | A | -0.9119 | |
| 367 | S | A | 0.0000 | |
| 368 | R | A | 0.0000 | |
| 369 | K | A | -0.7864 | |
| 370 | F | A | 0.0000 | |
| 371 | T | A | 0.0000 | |
| 372 | E | A | 0.0000 | |
| 373 | W | A | -0.3189 | |
| 374 | A | A | 0.2998 | |
| 375 | Y | A | 1.1676 | |
| 376 | G | A | 1.0752 | |
| 377 | P | A | 1.4030 | |
| 378 | V | A | 1.4755 | |
| 379 | H | A | 0.6445 | |
| 380 | S | A | 0.0000 | |
| 381 | S | A | 0.0000 | |
| 382 | L | A | 0.0000 | |
| 383 | Y | A | 0.0000 | |
| 384 | D | A | 0.0000 | |
| 385 | L | A | 0.0000 | |
| 386 | S | A | -0.4362 | |
| 387 | C | A | -0.8648 | |
| 388 | I | A | 0.0000 | |
| 389 | D | A | 0.0000 | |
| 390 | T | A | 0.0000 | |
| 391 | C | A | -1.3083 | |
| 392 | E | A | -2.1309 | |
| 393 | K | A | -2.4468 | |
| 394 | N | A | -1.5647 | |
| 395 | S | A | 0.0000 | |
| 396 | V | A | 0.0000 | |
| 397 | L | A | 0.0000 | |
| 398 | E | A | -0.4867 | |
| 399 | V | A | -0.0610 | |
| 400 | I | A | 0.0000 | |
| 401 | A | A | 0.0000 | |
| 402 | Y | A | 0.2168 | |
| 403 | S | A | -0.2687 | |
| 404 | S | A | -1.1126 | |
| 405 | S | A | -1.4790 | |
| 406 | E | A | -2.3114 | |
| 407 | T | A | -1.4103 | |
| 408 | P | A | -1.4006 | |
| 409 | N | A | -1.6680 | |
| 410 | R | A | -1.0282 | |
| 411 | H | A | -0.9684 | |
| 412 | D | A | -0.8579 | |
| 413 | M | A | 0.0000 | |
| 414 | L | A | 0.0000 | |
| 415 | L | A | -0.0943 | |
| 416 | V | A | -0.1171 | |
| 417 | E | A | -0.6279 | |
| 418 | P | A | 0.0000 | |
| 419 | L | A | 0.0000 | |
| 420 | N | A | -0.9720 | |
| 421 | R | A | -1.7548 | |
| 422 | L | A | 0.0000 | |
| 423 | L | A | 0.0000 | |
| 424 | Q | A | -2.0622 | |
| 425 | D | A | -1.9806 | |
| 426 | K | A | 0.0000 | |
| 427 | W | A | 0.0000 | |
| 428 | D | A | -2.3428 | |
| 429 | R | A | -2.2559 | |
| 430 | F | A | 0.0000 | |
| 431 | V | A | 0.0000 | |
| 432 | K | A | -1.3580 | |
| 433 | R | A | -1.5311 | |
| 434 | I | A | 0.2614 | |
| 435 | F | A | 0.0000 | |
| 436 | Y | A | 1.6353 | |
| 437 | F | A | 2.6698 | |
| 438 | N | A | 1.6377 | |
| 439 | F | A | 2.2733 | |
| 440 | F | A | 3.5927 | |
| 441 | V | A | 3.0077 | |
| 442 | Y | A | 0.0000 | |
| 443 | C | A | 2.3380 | |
| 444 | L | A | 2.3817 | |
| 445 | Y | A | 0.0000 | |
| 446 | M | A | 0.0000 | |
| 447 | I | A | 2.2303 | |
| 448 | I | A | 1.5615 | |
| 449 | F | A | 0.0000 | |
| 450 | T | A | 1.5001 | |
| 451 | T | A | 1.3596 | |
| 452 | A | A | 0.0000 | |
| 453 | A | A | 1.2213 | |
| 454 | Y | A | 1.9984 | |
| 455 | Y | A | 1.9754 | |
| 456 | R | A | 0.7958 | |
| 457 | P | A | 0.6040 | |
| 458 | V | A | 1.1250 | |
| 459 | E | A | -0.9458 | |
| 460 | G | A | -0.6953 | |
| 461 | L | A | -0.2349 | |
| 462 | P | A | 0.0000 | |
| 463 | P | A | -0.0647 | |
| 464 | Y | A | -0.8375 | |
| 465 | K | A | -1.7023 | |
| 466 | L | A | -0.9071 | |
| 467 | N | A | -1.6600 | |
| 468 | N | A | -1.3710 | |
| 469 | T | A | 0.2000 | |
| 470 | V | A | 1.7987 | |
| 471 | G | A | 1.1705 | |
| 472 | D | A | 0.7359 | |
| 473 | Y | A | 1.9373 | |
| 474 | F | A | 2.5184 | |
| 475 | R | A | 1.7177 | |
| 476 | V | A | 1.4906 | |
| 477 | T | A | 1.6116 | |
| 478 | G | A | 0.0000 | |
| 479 | E | A | 1.0652 | |
| 480 | I | A | 2.3308 | |
| 481 | L | A | 1.6730 | |
| 482 | S | A | 0.0000 | |
| 483 | V | A | 1.4702 | |
| 484 | S | A | 1.1843 | |
| 485 | G | A | 1.2510 | |
| 486 | G | A | 0.0000 | |
| 487 | V | A | 1.8767 | |
| 488 | Y | A | 2.0151 | |
| 489 | F | A | 0.0000 | |
| 490 | F | A | 1.9554 | |
| 491 | F | A | 2.2716 | |
| 492 | R | A | 0.8139 | |
| 493 | G | A | 0.0000 | |
| 494 | I | A | 1.1941 | |
| 495 | Q | A | -0.2566 | |
| 496 | Y | A | -0.3539 | |
| 497 | F | A | -0.1407 | |
| 498 | L | A | 0.1254 | |
| 499 | Q | A | -1.3252 | |
| 500 | R | A | -1.3683 | |
| 501 | R | A | -1.6377 | |
| 502 | P | A | -0.7573 | |
| 503 | S | A | -0.3063 | |
| 504 | L | A | 0.8710 | |
| 505 | K | A | -0.7592 | |
| 506 | S | A | -0.1486 | |
| 507 | L | A | 0.7295 | |
| 508 | F | A | 1.6906 | |
| 509 | V | A | 0.5542 | |
| 510 | D | A | -0.0336 | |
| 511 | S | A | 0.0000 | |
| 512 | Y | A | 1.2667 | |
| 513 | S | A | 0.7937 | |
| 514 | E | A | 0.3228 | |
| 515 | I | A | 1.0765 | |
| 516 | L | A | 0.9200 | |
| 517 | F | A | 0.0000 | |
| 518 | F | A | 1.5544 | |
| 519 | V | A | 1.5260 | |
| 520 | Q | A | 0.0000 | |
| 521 | S | A | 0.0000 | |
| 522 | L | A | 1.8654 | |
| 523 | F | A | 2.5329 | |
| 524 | M | A | 0.0000 | |
| 525 | L | A | 2.1574 | |
| 526 | V | A | 2.1597 | |
| 527 | S | A | 0.0000 | |
| 528 | V | A | 2.3991 | |
| 529 | V | A | 2.8639 | |
| 530 | L | A | 0.7473 | |
| 531 | Y | A | 0.8266 | |
| 532 | F | A | 2.0721 | |
| 533 | S | A | 0.0864 | |
| 534 | H | A | -1.1787 | |
| 535 | R | A | -2.6303 | |
| 536 | K | A | -3.2197 | |
| 537 | E | A | -2.9940 | |
| 538 | Y | A | 0.0000 | |
| 539 | V | A | -0.1249 | |
| 540 | A | A | 0.4890 | |
| 541 | S | A | 0.0000 | |
| 542 | M | A | 1.6816 | |
| 543 | V | A | 2.4381 | |
| 544 | F | A | 2.8983 | |
| 545 | S | A | 0.0000 | |
| 546 | L | A | 0.0000 | |
| 547 | A | A | 1.3046 | |
| 548 | M | A | 1.3173 | |
| 549 | G | A | 0.0000 | |
| 550 | W | A | 1.0074 | |
| 551 | T | A | 0.7162 | |
| 552 | N | A | 0.0000 | |
| 553 | M | A | 1.0410 | |
| 554 | L | A | 1.3739 | |
| 555 | Y | A | 0.7339 | |
| 556 | Y | A | 0.0000 | |
| 557 | T | A | 0.6146 | |
| 558 | R | A | 0.1168 | |
| 559 | G | A | 0.0000 | |
| 560 | F | A | -0.1795 | |
| 561 | Q | A | -1.1836 | |
| 562 | Q | A | -0.9883 | |
| 563 | M | A | 0.5682 | |
| 564 | G | A | 0.0000 | |
| 565 | I | A | 0.3626 | |
| 566 | Y | A | 1.6777 | |
| 567 | A | A | 0.0000 | |
| 568 | V | A | 0.0000 | |
| 569 | M | A | 1.4521 | |
| 570 | I | A | 2.0794 | |
| 571 | E | A | 0.8367 | |
| 572 | K | A | 0.3047 | |
| 573 | M | A | 0.9151 | |
| 574 | I | A | 1.0696 | |
| 575 | L | A | 0.6267 | |
| 576 | R | A | -0.8073 | |
| 577 | D | A | 0.0000 | |
| 578 | L | A | 0.8663 | |
| 579 | C | A | 0.6563 | |
| 580 | R | A | 0.0676 | |
| 581 | F | A | 1.1975 | |
| 582 | M | A | 1.9185 | |
| 583 | F | A | 2.9966 | |
| 584 | V | A | 2.7247 | |
| 585 | Y | A | 0.0000 | |
| 586 | L | A | 3.0963 | |
| 587 | V | A | 3.5736 | |
| 588 | F | A | 2.5670 | |
| 589 | L | A | 0.0000 | |
| 590 | F | A | 2.7653 | |
| 591 | G | A | 1.3459 | |
| 592 | F | A | 1.1371 | |
| 593 | S | A | 0.0000 | |
| 594 | T | A | 0.9108 | |
| 595 | A | A | 0.5143 | |
| 596 | V | A | 0.0000 | |
| 597 | V | A | 0.3134 | |
| 598 | T | A | -0.5194 | |
| 599 | L | A | -0.4716 | |
| 600 | I | A | -1.5628 | |
| 601 | E | A | -3.1168 | |
| 602 | D | A | -3.8400 | |
| 603 | G | A | -3.4999 | |
| 604 | K | A | -3.7089 | |
| 605 | N | A | -3.2379 | |
| 606 | N | A | -2.3602 | |
| 607 | S | A | -0.5284 | |
| 608 | L | A | 1.3109 | |
| 609 | P | A | 0.8708 | |
| 610 | V | A | 1.0756 | |
| 611 | E | A | -1.1783 | |
| 612 | S | A | -1.0114 | |
| 613 | P | A | -1.1004 | |
| 614 | P | A | -1.1695 | |
| 615 | H | A | -2.0755 | |
| 616 | K | A | -2.4900 | |
| 617 | C | A | -1.3248 | |
| 618 | R | A | -2.3785 | |
| 619 | G | A | -1.3368 | |
| 620 | S | A | -0.7691 | |
| 621 | A | A | -0.4882 | |
| 622 | C | A | -0.3301 | |
| 623 | R | A | -1.9394 | |
| 624 | P | A | -1.5448 | |
| 625 | G | A | -1.5968 | |
| 626 | N | A | -1.8681 | |
| 627 | S | A | -0.8908 | |
| 628 | Y | A | -0.1050 | |
| 629 | N | A | -0.3345 | |
| 630 | S | A | 0.5386 | |
| 631 | L | A | 1.9925 | |
| 632 | Y | A | 2.1253 | |
| 633 | S | A | 0.9940 | |
| 634 | T | A | 0.0000 | |
| 635 | C | A | 1.5313 | |
| 636 | L | A | 0.9728 | |
| 637 | E | A | 0.4592 | |
| 638 | L | A | 0.0000 | |
| 639 | F | A | 1.1069 | |
| 640 | K | A | 0.3998 | |
| 641 | F | A | 0.9000 | |
| 642 | T | A | 1.4822 | |
| 643 | I | A | 2.1821 | |
| 644 | G | A | 0.7284 | |
| 645 | M | A | 0.9788 | |
| 646 | G | A | -0.1385 | |
| 647 | D | A | -1.5597 | |
| 648 | L | A | -0.3036 | |
| 649 | E | A | -2.1576 | |
| 650 | F | A | -1.3421 | |
| 651 | T | A | -1.6365 | |
| 652 | E | A | -2.9318 | |
| 653 | N | A | -2.6716 | |
| 654 | Y | A | -1.9217 | |
| 655 | D | A | -1.9599 | |
| 656 | F | A | 0.5066 | |
| 657 | K | A | -0.2720 | |
| 658 | A | A | 1.3715 | |
| 659 | V | A | 2.7847 | |
| 660 | F | A | 0.0000 | |
| 661 | I | A | 2.4663 | |
| 662 | I | A | 3.3946 | |
| 663 | L | A | 2.5142 | |
| 664 | L | A | 0.0000 | |
| 665 | L | A | 3.0113 | |
| 666 | A | A | 2.3923 | |
| 667 | Y | A | 0.0000 | |
| 668 | V | A | 3.0693 | |
| 669 | I | A | 3.5465 | |
| 670 | L | A | 2.8330 | |
| 671 | T | A | 0.0000 | |
| 672 | Y | A | 3.2153 | |
| 673 | I | A | 2.8338 | |
| 674 | L | A | 2.4215 | |
| 675 | L | A | 0.0000 | |
| 676 | L | A | 1.9909 | |
| 677 | N | A | 0.8724 | |
| 678 | M | A | 1.2053 | |
| 679 | L | A | 1.4711 | |
| 680 | I | A | 1.8359 | |
| 681 | A | A | 0.7098 | |
| 682 | L | A | 0.3810 | |
| 683 | M | A | 0.3660 | |
| 684 | G | A | -0.5446 | |
| 685 | E | A | -2.0890 | |
| 686 | T | A | 0.0000 | |
| 687 | V | A | -0.8719 | |
| 688 | N | A | -2.7068 | |
| 689 | K | A | -3.0467 | |
| 690 | I | A | -1.8654 | |
| 691 | A | A | -1.6213 | |
| 692 | Q | A | -2.4519 | |
| 693 | E | A | -2.3470 | |
| 694 | S | A | 0.0000 | |
| 695 | K | A | -1.8749 | |
| 696 | N | A | -1.3005 | |
| 697 | I | A | -0.8008 | |
| 698 | W | A | 0.0000 | |
| 699 | K | A | -0.8145 | |
| 700 | L | A | 0.0000 | |
| 701 | Q | A | -0.1777 | |
| 702 | R | A | 0.0000 | |
| 703 | A | A | 0.0000 | |
| 704 | I | A | 0.0331 | |
| 705 | T | A | 0.0000 | |
| 706 | I | A | 0.0000 | |
| 707 | L | A | 0.0000 | |
| 708 | D | A | -0.6712 | |
| 709 | T | A | -0.3566 | |
| 710 | E | A | 0.0000 | |
| 711 | K | A | -0.9568 | |
| 712 | S | A | -0.5554 | |
| 713 | F | A | 0.2486 | |
| 714 | L | A | 0.8049 | |
| 715 | K | A | -0.9202 | |
| 716 | C | A | 0.1391 | |
| 717 | M | A | 0.2807 | |
| 718 | R | A | -0.7001 | |
| 719 | K | A | -1.4222 | |
| 720 | A | A | -0.5088 | |
| 721 | F | A | -0.0126 | |
| 722 | R | A | -0.7044 | |
| 723 | S | A | 0.0000 | |
| 724 | G | A | -1.1378 | |
| 725 | K | A | -1.3651 | |
| 726 | L | A | 0.5416 | |
| 727 | L | A | 0.4465 | |
| 728 | Q | A | 0.6079 | |
| 729 | V | A | 0.0000 | |
| 730 | G | A | 0.2291 | |
| 731 | F | A | 0.0289 | |
| 732 | T | A | -1.0760 | |
| 733 | P | A | -2.0383 | |
| 734 | D | A | -2.5733 | |
| 735 | G | A | -2.0235 | |
| 736 | K | A | -2.5553 | |
| 737 | D | A | -1.7937 | |
| 738 | D | A | 0.0000 | |
| 739 | F | A | 1.4690 | |
| 740 | R | A | 0.5719 | |
| 741 | W | A | 0.1410 | |
| 742 | C | A | 0.0000 | |
| 743 | F | A | 0.0000 | |
| 744 | R | A | -2.2182 | |
| 745 | V | A | 0.0000 | |
| 746 | D | A | -1.6183 | |
| 747 | E | A | -0.3965 | |
| 748 | V | A | 1.7500 | |
| 749 | N | A | 1.1963 | |
| 750 | W | A | 1.5235 | |
| 751 | T | A | 0.6355 | |
| 752 | T | A | 0.4163 | |
| 753 | W | A | 1.0043 | |
| 754 | N | A | -0.8126 | |
| 755 | T | A | -0.8940 | |
| 756 | N | A | -1.1282 | |
| 757 | V | A | -0.1733 | |
| 758 | G | A | 0.0537 | |
| 759 | I | A | 0.5549 | |
| 760 | I | A | 0.2868 | |
| 761 | N | A | -1.4584 | |
| 762 | E | A | -2.3278 | |
| 763 | D | A | -2.4569 | |
| 764 | P | A | -1.4653 | |
| 765 | G | A | -1.7856 | |
| 766 | N | A | -1.7677 | |
| 767 | C | A | -0.9793 | |
| 768 | E | A | -1.8543 | |
| 769 | G | A | -1.0439 | |
| 770 | V | A | -0.1620 | |
| 771 | K | A | -1.8392 | |
| 772 | R | A | -1.8837 | |
| 773 | T | A | -0.1548 | |
| 774 | L | A | 1.1198 | |
| 775 | S | A | 1.3150 | |
| 776 | F | A | 2.4298 | |
| 777 | S | A | 1.1963 | |
| 778 | L | A | 0.8481 | |
| 779 | R | A | -1.3463 | |
| 780 | S | A | -1.3182 | |
| 781 | G | A | -1.3007 | |
| 782 | R | A | -1.3594 | |
| 783 | V | A | 0.5370 | |
| 784 | S | A | -0.4768 | |
| 785 | G | A | -1.3767 | |
| 786 | R | A | -2.6813 | |
| 787 | N | A | -2.2405 | |
| 788 | W | A | -0.8219 | |
| 789 | K | A | -1.8355 | |
| 790 | N | A | -0.7838 | |
| 791 | F | A | 1.7946 | |
| 792 | A | A | 1.4566 | |
| 793 | L | A | 2.9589 | |
| 794 | V | A | 3.1235 | |
| 795 | P | A | 1.5330 | |
| 796 | L | A | 2.0101 | |
| 797 | L | A | 1.1338 | |
| 798 | R | A | -1.3850 | |
| 799 | D | A | -2.2986 | |
| 800 | A | A | -1.4553 | |
| 801 | S | A | -2.2056 | |
| 802 | T | A | -2.6243 | |
| 803 | R | A | -3.6308 | |
| 804 | D | A | -3.9210 | |
| 805 | R | A | -3.7618 | |
| 806 | H | A | -2.8488 | |
| 807 | S | A | -1.7630 | |
| 808 | T | A | -1.5952 | |
| 809 | Q | A | -2.2643 | |
| 810 | P | A | -2.0448 | |
| 811 | E | A | -2.8340 | |
| 812 | E | A | -2.1748 | |
| 813 | V | A | 0.0468 | |
| 814 | Q | A | -0.8867 | |
| 815 | L | A | 0.3280 | |
| 816 | K | A | -1.2064 | |
| 817 | H | A | -0.9679 | |
| 818 | Y | A | 0.4862 | |
| 819 | T | A | 0.0501 | |
| 820 | G | A | -0.0890 | |
| 821 | S | A | 0.0743 | |
| 822 | L | A | -0.2951 | |
| 823 | K | A | -2.1690 | |
| 824 | P | A | -2.2586 | |
| 825 | E | A | -3.3181 | |
| 826 | D | A | -2.7918 | |
| 827 | A | A | -1.6895 | |
| 828 | E | A | -1.7011 | |
| 829 | V | A | 0.5144 | |
| 830 | F | A | 0.8702 | |
| 831 | K | A | -1.4421 | |
| 832 | D | A | -1.7613 | |
| 833 | S | A | -0.6636 | |
| 834 | M | A | 0.2116 | |
| 835 | A | A | -0.1532 | |
| 836 | P | A | -0.5864 | |
| 837 | G | A | -1.7681 | |
| 838 | E | A | -2.9213 | |
| 839 | K | A | -2.7044 |
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 | -0.0534 | 6.9345 | View | CSV | PDB |
| 4.5 | -0.1176 | 6.9345 | View | CSV | PDB |
| 5.0 | -0.1964 | 6.9345 | View | CSV | PDB |
| 5.5 | -0.2737 | 6.9345 | View | CSV | PDB |
| 6.0 | -0.3328 | 6.9345 | View | CSV | PDB |
| 6.5 | -0.3641 | 6.9345 | View | CSV | PDB |
| 7.0 | -0.3691 | 6.9345 | View | CSV | PDB |
| 7.5 | -0.357 | 6.9345 | View | CSV | PDB |
| 8.0 | -0.3351 | 6.9344 | View | CSV | PDB |
| 8.5 | -0.3057 | 6.9343 | View | CSV | PDB |
| 9.0 | -0.2676 | 6.9337 | 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