| Chain sequence(s) | MSVDNWLLHPLWGQTFLLLLSVAVAQAHWPSEPSEAVRDWKNQLEASMHSVLSDFQEAVPTVVGIPDGTAVVGRSFRVSIPTDLIASSGEIIKVSAAGKEALPSWLHWDPHSHILEGLPLDTDKGVHYISVSAARLGANGSHVPQTASVFSIEVYPEDHSEPQSVRAASSDPGEVVSSACAADEPVTVLTVILDADLTKMTPKQRIDLLNRMQSFSEVELNNMKLVPVVNNRLFDMSAFMAGPGNAKKVVENGALLSWKLGCSLNQNSVPDIRGVETPAREGTMSAHLGYPVVGWHIANKKPTLPKRIRRQIHATPTPVTAIGPPTTAIQEPPSRIVPTPTSPAIAPPTETMAPPVRDPVPGKPTVTIRTRGAIIQTPTLGPIPPTRVSEAGTTVPGQIRPTLTIPGYVEPTAVVTPPTTTTKKPRVSTPKPATPSTDSSTTTTRRPTKKPRTPRPVPRVTTKAPITRLETASPPTRIRTTTSAVPRGGEANQRPELKNHIDRVDAWVGTYFEVKIPSDTFYDNEDTTTDKLKLTLKLREQQLVGEKSWVQFNSNSQLMYGLPDSSHVGKHEYFMHATDKGGLSAVDAFEIHVHKRPQGDKAPARFKAKLAGDPAPVVNDIHKKIALVKKLAFAFGDRNCSSITLQNITRGSIVVEWTNNTLPLEPCPKEQIVGLSRRIADENGKPRPAFSNALEPDFKALSVAVAGSGSCRHLQFIPVAPPSPGTSAAPATEVPDRDPEKSSEDDVYLHTVIPAVVVAAILLIAGIIAMICYRKKRKGKLTLEDQATFIKKGVPIIFADELDDSKPPPSSSMPLILQEEKAPLPPPEYPNQSVPETTPLNQDTVGEYTPLRDEDPNAPPYQPPPPFTAPMEGKGSRPKNMTPYRSPPPYVPP 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 (00:09:53)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/f0b5d6735fa427/tmp/folded.pdb (00:09:53)
[INFO] Main: Simulation completed successfully. (00:19:37)
|
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 | 1.1564 | |
| 2 | S | A | 0.9110 | |
| 3 | V | A | 0.7140 | |
| 4 | D | A | -1.2478 | |
| 5 | N | A | -0.9449 | |
| 6 | W | A | 1.1506 | |
| 7 | L | A | 2.4889 | |
| 8 | L | A | 2.3597 | |
| 9 | H | A | 0.5046 | |
| 10 | P | A | 0.7872 | |
| 11 | L | A | 1.7463 | |
| 12 | W | A | 1.2797 | |
| 13 | G | A | -0.1011 | |
| 14 | Q | A | -0.4634 | |
| 15 | T | A | 0.9032 | |
| 16 | F | A | 3.1188 | |
| 17 | L | A | 3.9517 | |
| 18 | L | A | 3.9557 | |
| 19 | L | A | 3.8361 | |
| 20 | L | A | 3.3301 | |
| 21 | S | A | 1.8035 | |
| 22 | V | A | 2.8159 | |
| 23 | A | A | 1.7213 | |
| 24 | V | A | 1.9205 | |
| 25 | A | A | 0.4826 | |
| 26 | Q | A | -0.9695 | |
| 27 | A | A | -0.8233 | |
| 28 | H | A | -0.7251 | |
| 29 | W | A | 0.5454 | |
| 30 | P | A | -0.2492 | |
| 31 | S | A | -1.0446 | |
| 32 | E | A | -2.1785 | |
| 33 | P | A | -1.7382 | |
| 34 | S | A | -1.8641 | |
| 35 | E | A | -2.6400 | |
| 36 | A | A | -1.2405 | |
| 37 | V | A | -0.7582 | |
| 38 | R | A | -3.0851 | |
| 39 | D | A | -3.2396 | |
| 40 | W | A | -1.3169 | |
| 41 | K | A | -2.8004 | |
| 42 | N | A | -3.1476 | |
| 43 | Q | A | -2.3988 | |
| 44 | L | A | -1.5003 | |
| 45 | E | A | -2.0657 | |
| 46 | A | A | -1.2494 | |
| 47 | S | A | -0.6577 | |
| 48 | M | A | -0.2319 | |
| 49 | H | A | -0.6970 | |
| 50 | S | A | -0.2934 | |
| 51 | V | A | 0.6381 | |
| 52 | L | A | 0.4082 | |
| 53 | S | A | -0.8114 | |
| 54 | D | A | -1.4612 | |
| 55 | F | A | 0.3069 | |
| 56 | Q | A | -1.2354 | |
| 57 | E | A | -1.8418 | |
| 58 | A | A | -0.3405 | |
| 59 | V | A | 1.1994 | |
| 60 | P | A | 0.7197 | |
| 61 | T | A | 1.2819 | |
| 62 | V | A | 1.9988 | |
| 63 | V | A | 0.0000 | |
| 64 | G | A | 0.1107 | |
| 65 | I | A | 0.0000 | |
| 66 | P | A | -1.0364 | |
| 67 | D | A | -1.7534 | |
| 68 | G | A | -1.2214 | |
| 69 | T | A | -0.5510 | |
| 70 | A | A | 0.0000 | |
| 71 | V | A | -0.4948 | |
| 72 | V | A | 0.0000 | |
| 73 | G | A | 0.0000 | |
| 74 | R | A | -1.0940 | |
| 75 | S | A | -1.1263 | |
| 76 | F | A | 0.0000 | |
| 77 | R | A | -1.9586 | |
| 78 | V | A | -0.7274 | |
| 79 | S | A | -0.5922 | |
| 80 | I | A | 0.0000 | |
| 81 | P | A | -0.3280 | |
| 82 | T | A | 0.0000 | |
| 83 | D | A | -1.1601 | |
| 84 | L | A | 0.7927 | |
| 85 | I | A | 0.0000 | |
| 86 | A | A | -0.6008 | |
| 87 | S | A | -0.7702 | |
| 88 | S | A | -0.9756 | |
| 89 | G | A | -0.6737 | |
| 90 | E | A | -0.6840 | |
| 91 | I | A | 0.1663 | |
| 92 | I | A | -0.2910 | |
| 93 | K | A | -0.6541 | |
| 94 | V | A | -0.3782 | |
| 95 | S | A | -0.7081 | |
| 96 | A | A | 0.0000 | |
| 97 | A | A | -0.1035 | |
| 98 | G | A | -1.1107 | |
| 99 | K | A | -2.7225 | |
| 100 | E | A | -2.7316 | |
| 101 | A | A | -1.4139 | |
| 102 | L | A | -0.3858 | |
| 103 | P | A | -0.1547 | |
| 104 | S | A | -0.2471 | |
| 105 | W | A | 0.0000 | |
| 106 | L | A | 0.0000 | |
| 107 | H | A | -1.0331 | |
| 108 | W | A | -0.9590 | |
| 109 | D | A | -1.2415 | |
| 110 | P | A | -1.0690 | |
| 111 | H | A | -1.4314 | |
| 112 | S | A | -1.0351 | |
| 113 | H | A | -1.1240 | |
| 114 | I | A | -0.9357 | |
| 115 | L | A | 0.0000 | |
| 116 | E | A | -1.3192 | |
| 117 | G | A | 0.0000 | |
| 118 | L | A | 0.0000 | |
| 119 | P | A | 0.0000 | |
| 120 | L | A | 0.0000 | |
| 121 | D | A | -0.6275 | |
| 122 | T | A | -0.1044 | |
| 123 | D | A | 0.0000 | |
| 124 | K | A | -0.2632 | |
| 125 | G | A | 0.1279 | |
| 126 | V | A | 0.9530 | |
| 127 | H | A | 0.5512 | |
| 128 | Y | A | 1.2573 | |
| 129 | I | A | 0.0000 | |
| 130 | S | A | 0.2648 | |
| 131 | V | A | 0.0000 | |
| 132 | S | A | 0.0236 | |
| 133 | A | A | 0.0000 | |
| 134 | A | A | 0.0000 | |
| 135 | R | A | -1.1939 | |
| 136 | L | A | 0.1778 | |
| 137 | G | A | -0.4024 | |
| 138 | A | A | -0.6899 | |
| 139 | N | A | -1.3797 | |
| 140 | G | A | -0.9660 | |
| 141 | S | A | -0.7015 | |
| 142 | H | A | -0.6074 | |
| 143 | V | A | 0.0938 | |
| 144 | P | A | -0.4777 | |
| 145 | Q | A | -0.9281 | |
| 146 | T | A | -0.0913 | |
| 147 | A | A | 0.4527 | |
| 148 | S | A | 0.0000 | |
| 149 | V | A | 1.4306 | |
| 150 | F | A | 0.0000 | |
| 151 | S | A | 0.0859 | |
| 152 | I | A | 0.0000 | |
| 153 | E | A | -0.6825 | |
| 154 | V | A | 0.0000 | |
| 155 | Y | A | -0.4970 | |
| 156 | P | A | -0.9833 | |
| 157 | E | A | -2.0616 | |
| 158 | D | A | -1.8680 | |
| 159 | H | A | -1.4182 | |
| 160 | S | A | -1.3543 | |
| 161 | E | A | -2.1836 | |
| 162 | P | A | -1.7347 | |
| 163 | Q | A | -1.8271 | |
| 164 | S | A | -0.8570 | |
| 165 | V | A | 0.0310 | |
| 166 | R | A | -1.6243 | |
| 167 | A | A | -0.5621 | |
| 168 | A | A | -0.4726 | |
| 169 | S | A | -1.0848 | |
| 170 | S | A | -1.5548 | |
| 171 | D | A | -2.7215 | |
| 172 | P | A | -1.6182 | |
| 173 | G | A | -1.6651 | |
| 174 | E | A | -1.1408 | |
| 175 | V | A | 1.5572 | |
| 176 | V | A | 2.0433 | |
| 177 | S | A | 0.7172 | |
| 178 | S | A | 0.1473 | |
| 179 | A | A | -0.4634 | |
| 180 | C | A | -0.5041 | |
| 181 | A | A | -0.6126 | |
| 182 | A | A | -0.9457 | |
| 183 | D | A | -2.2373 | |
| 184 | E | A | -1.9858 | |
| 185 | P | A | -1.8112 | |
| 186 | V | A | -1.1162 | |
| 187 | T | A | 0.0000 | |
| 188 | V | A | -0.2004 | |
| 189 | L | A | 0.0000 | |
| 190 | T | A | 0.0000 | |
| 191 | V | A | 0.0000 | |
| 192 | I | A | 0.0000 | |
| 193 | L | A | 0.0000 | |
| 194 | D | A | 0.0000 | |
| 195 | A | A | 0.0000 | |
| 196 | D | A | -0.9872 | |
| 197 | L | A | 0.0000 | |
| 198 | T | A | -1.0766 | |
| 199 | K | A | -1.9903 | |
| 200 | M | A | 0.0000 | |
| 201 | T | A | -1.2360 | |
| 202 | P | A | -1.2697 | |
| 203 | K | A | -1.8576 | |
| 204 | Q | A | -1.7737 | |
| 205 | R | A | 0.0000 | |
| 206 | I | A | -1.5410 | |
| 207 | D | A | -1.7360 | |
| 208 | L | A | 0.0000 | |
| 209 | L | A | 0.0000 | |
| 210 | N | A | -2.3393 | |
| 211 | R | A | -2.0368 | |
| 212 | M | A | 0.0000 | |
| 213 | Q | A | -2.0328 | |
| 214 | S | A | -1.5073 | |
| 215 | F | A | -1.0249 | |
| 216 | S | A | -1.3042 | |
| 217 | E | A | -2.2024 | |
| 218 | V | A | -1.9260 | |
| 219 | E | A | -2.7265 | |
| 220 | L | A | -2.1153 | |
| 221 | N | A | -1.9509 | |
| 222 | N | A | -1.8244 | |
| 223 | M | A | 0.0000 | |
| 224 | K | A | -0.9918 | |
| 225 | L | A | 0.0000 | |
| 226 | V | A | 0.0000 | |
| 227 | P | A | -0.0780 | |
| 228 | V | A | 0.0000 | |
| 229 | V | A | 0.2431 | |
| 230 | N | A | -1.6553 | |
| 231 | N | A | -2.0992 | |
| 232 | R | A | -1.5840 | |
| 233 | L | A | 0.1403 | |
| 234 | F | A | 1.4757 | |
| 235 | D | A | 0.8669 | |
| 236 | M | A | 1.1603 | |
| 237 | S | A | 0.3327 | |
| 238 | A | A | 0.4950 | |
| 239 | F | A | 0.0309 | |
| 240 | M | A | -0.0514 | |
| 241 | A | A | 0.4174 | |
| 242 | G | A | -0.4527 | |
| 243 | P | A | -1.3527 | |
| 244 | G | A | -1.8226 | |
| 245 | N | A | -2.5078 | |
| 246 | A | A | -1.6490 | |
| 247 | K | A | -2.4768 | |
| 248 | K | A | -2.1173 | |
| 249 | V | A | -0.3383 | |
| 250 | V | A | 0.6640 | |
| 251 | E | A | -0.8982 | |
| 252 | N | A | -1.0929 | |
| 253 | G | A | 0.0000 | |
| 254 | A | A | 0.0000 | |
| 255 | L | A | 0.2184 | |
| 256 | L | A | 0.0000 | |
| 257 | S | A | 0.0000 | |
| 258 | W | A | 0.0000 | |
| 259 | K | A | -0.7218 | |
| 260 | L | A | 0.0956 | |
| 261 | G | A | -0.0424 | |
| 262 | C | A | -0.4466 | |
| 263 | S | A | -1.0288 | |
| 264 | L | A | -0.9923 | |
| 265 | N | A | -2.1746 | |
| 266 | Q | A | -2.2637 | |
| 267 | N | A | -2.2735 | |
| 268 | S | A | -1.6688 | |
| 269 | V | A | -1.2986 | |
| 270 | P | A | -1.5899 | |
| 271 | D | A | -2.4144 | |
| 272 | I | A | -1.6905 | |
| 273 | R | A | -2.5667 | |
| 274 | G | A | -1.8295 | |
| 275 | V | A | 0.0000 | |
| 276 | E | A | -1.8738 | |
| 277 | T | A | -1.8589 | |
| 278 | P | A | -1.7969 | |
| 279 | A | A | 0.0000 | |
| 280 | R | A | -2.8939 | |
| 281 | E | A | -2.9241 | |
| 282 | G | A | -1.8460 | |
| 283 | T | A | -1.2063 | |
| 284 | M | A | 0.0000 | |
| 285 | S | A | -0.8596 | |
| 286 | A | A | -0.5286 | |
| 287 | H | A | -0.8331 | |
| 288 | L | A | 0.0000 | |
| 289 | G | A | -0.7730 | |
| 290 | Y | A | -0.0938 | |
| 291 | P | A | -0.4937 | |
| 292 | V | A | 0.0000 | |
| 293 | V | A | -0.4504 | |
| 294 | G | A | 0.0000 | |
| 295 | W | A | 0.0000 | |
| 296 | H | A | 0.0000 | |
| 297 | I | A | 0.0000 | |
| 298 | A | A | 0.0000 | |
| 299 | N | A | -1.5221 | |
| 300 | K | A | -2.0403 | |
| 301 | K | A | -2.5674 | |
| 302 | P | A | -1.6238 | |
| 303 | T | A | -1.1494 | |
| 304 | L | A | -0.6534 | |
| 305 | P | A | -1.1121 | |
| 306 | K | A | -1.7307 | |
| 307 | R | A | -1.9287 | |
| 308 | I | A | -0.3734 | |
| 309 | R | A | -1.5734 | |
| 310 | R | A | -2.3329 | |
| 311 | Q | A | -1.8520 | |
| 312 | I | A | -0.6375 | |
| 313 | H | A | -1.1628 | |
| 314 | A | A | -0.3604 | |
| 315 | T | A | -0.3239 | |
| 316 | P | A | -0.2420 | |
| 317 | T | A | 0.1501 | |
| 318 | P | A | 0.4808 | |
| 319 | V | A | 1.8229 | |
| 320 | T | A | 1.2149 | |
| 321 | A | A | 1.3481 | |
| 322 | I | A | 1.9303 | |
| 323 | G | A | 0.2889 | |
| 324 | P | A | -0.2135 | |
| 325 | P | A | -0.3418 | |
| 326 | T | A | -0.3237 | |
| 327 | T | A | 0.3553 | |
| 328 | A | A | 0.8631 | |
| 329 | I | A | 1.0784 | |
| 330 | Q | A | -1.3253 | |
| 331 | E | A | -2.2458 | |
| 332 | P | A | -1.7414 | |
| 333 | P | A | -1.2413 | |
| 334 | S | A | -0.8760 | |
| 335 | R | A | -0.6494 | |
| 336 | I | A | 1.9027 | |
| 337 | V | A | 2.6441 | |
| 338 | P | A | 1.5207 | |
| 339 | T | A | 0.0984 | |
| 340 | P | A | -0.3927 | |
| 341 | T | A | -0.3595 | |
| 342 | S | A | -0.4105 | |
| 343 | P | A | 0.0946 | |
| 344 | A | A | 0.8932 | |
| 345 | I | A | 1.9282 | |
| 346 | A | A | 0.8542 | |
| 347 | P | A | 0.0907 | |
| 348 | P | A | -0.5694 | |
| 349 | T | A | -1.0786 | |
| 350 | E | A | -1.7034 | |
| 351 | T | A | -0.4661 | |
| 352 | M | A | 0.5642 | |
| 353 | A | A | 0.3800 | |
| 354 | P | A | 0.2972 | |
| 355 | P | A | 0.1249 | |
| 356 | V | A | 0.2525 | |
| 357 | R | A | -1.9271 | |
| 358 | D | A | -2.0523 | |
| 359 | P | A | -0.8157 | |
| 360 | V | A | 1.0824 | |
| 361 | P | A | -0.0665 | |
| 362 | G | A | -1.2886 | |
| 363 | K | A | -2.1591 | |
| 364 | P | A | -0.7937 | |
| 365 | T | A | 0.4107 | |
| 366 | V | A | 2.1432 | |
| 367 | T | A | 1.4522 | |
| 368 | I | A | 1.4889 | |
| 369 | R | A | -1.3896 | |
| 370 | T | A | -1.6161 | |
| 371 | R | A | -2.2838 | |
| 372 | G | A | -0.8742 | |
| 373 | A | A | 0.7925 | |
| 374 | I | A | 2.3948 | |
| 375 | I | A | 2.2745 | |
| 376 | Q | A | 0.2463 | |
| 377 | T | A | -0.1834 | |
| 378 | P | A | -0.0877 | |
| 379 | T | A | 0.4420 | |
| 380 | L | A | 1.1999 | |
| 381 | G | A | 0.3787 | |
| 382 | P | A | 0.5608 | |
| 383 | I | A | 1.7014 | |
| 384 | P | A | 0.2858 | |
| 385 | P | A | -0.3700 | |
| 386 | T | A | -0.5719 | |
| 387 | R | A | -0.8246 | |
| 388 | V | A | 0.4861 | |
| 389 | S | A | -0.4470 | |
| 390 | E | A | -1.6630 | |
| 391 | A | A | -1.0192 | |
| 392 | G | A | -0.7616 | |
| 393 | T | A | -0.1812 | |
| 394 | T | A | 0.5516 | |
| 395 | V | A | 1.4174 | |
| 396 | P | A | 0.2334 | |
| 397 | G | A | -0.3348 | |
| 398 | Q | A | -0.8712 | |
| 399 | I | A | 0.3512 | |
| 400 | R | A | -1.2299 | |
| 401 | P | A | -0.6093 | |
| 402 | T | A | 0.1130 | |
| 403 | L | A | 1.8312 | |
| 404 | T | A | 1.6498 | |
| 405 | I | A | 2.0304 | |
| 406 | P | A | 0.8536 | |
| 407 | G | A | 0.9084 | |
| 408 | Y | A | 1.5574 | |
| 409 | V | A | 1.2850 | |
| 410 | E | A | -0.7059 | |
| 411 | P | A | -0.8484 | |
| 412 | T | A | 0.0095 | |
| 413 | A | A | 1.3131 | |
| 414 | V | A | 2.6090 | |
| 415 | V | A | 2.5265 | |
| 416 | T | A | 1.0773 | |
| 417 | P | A | -0.0479 | |
| 418 | P | A | -0.4393 | |
| 419 | T | A | -0.3072 | |
| 420 | T | A | -0.2095 | |
| 421 | T | A | -0.5284 | |
| 422 | T | A | -1.2952 | |
| 423 | K | A | -2.6219 | |
| 424 | K | A | -3.0287 | |
| 425 | P | A | -1.9338 | |
| 426 | R | A | -1.5086 | |
| 427 | V | A | 0.7262 | |
| 428 | S | A | 0.1832 | |
| 429 | T | A | -0.2771 | |
| 430 | P | A | -1.1892 | |
| 431 | K | A | -1.9740 | |
| 432 | P | A | -1.2669 | |
| 433 | A | A | -0.5276 | |
| 434 | T | A | -0.4396 | |
| 435 | P | A | -0.5889 | |
| 436 | S | A | -0.7778 | |
| 437 | T | A | -1.1453 | |
| 438 | D | A | -2.0731 | |
| 439 | S | A | -1.3691 | |
| 440 | S | A | -0.7971 | |
| 441 | T | A | -0.4801 | |
| 442 | T | A | -0.2072 | |
| 443 | T | A | -0.5680 | |
| 444 | T | A | -1.3650 | |
| 445 | R | A | -2.8935 | |
| 446 | R | A | -2.9591 | |
| 447 | P | A | -2.0875 | |
| 448 | T | A | -1.7846 | |
| 449 | K | A | -2.7359 | |
| 450 | K | A | -3.0666 | |
| 451 | P | A | -2.3067 | |
| 452 | R | A | -2.3680 | |
| 453 | T | A | -1.5951 | |
| 454 | P | A | -1.6199 | |
| 455 | R | A | -1.7166 | |
| 456 | P | A | -0.5905 | |
| 457 | V | A | 0.7100 | |
| 458 | P | A | 0.0242 | |
| 459 | R | A | -0.7341 | |
| 460 | V | A | 0.7653 | |
| 461 | T | A | 0.1105 | |
| 462 | T | A | -0.5785 | |
| 463 | K | A | -1.7737 | |
| 464 | A | A | -0.5217 | |
| 465 | P | A | 0.3746 | |
| 466 | I | A | 1.5272 | |
| 467 | T | A | 0.2873 | |
| 468 | R | A | -1.0231 | |
| 469 | L | A | -0.3421 | |
| 470 | E | A | -1.4848 | |
| 471 | T | A | -0.7529 | |
| 472 | A | A | -0.5559 | |
| 473 | S | A | -0.3997 | |
| 474 | P | A | -0.5019 | |
| 475 | P | A | -0.6122 | |
| 476 | T | A | -0.6747 | |
| 477 | R | A | -1.2682 | |
| 478 | I | A | 0.0535 | |
| 479 | R | A | -1.3341 | |
| 480 | T | A | -0.7278 | |
| 481 | T | A | -0.5370 | |
| 482 | T | A | -0.0102 | |
| 483 | S | A | 0.1368 | |
| 484 | A | A | 0.4238 | |
| 485 | V | A | 1.1328 | |
| 486 | P | A | -0.6922 | |
| 487 | R | A | -2.2275 | |
| 488 | G | A | -2.1320 | |
| 489 | G | A | -2.0582 | |
| 490 | E | A | -2.6979 | |
| 491 | A | A | -1.6813 | |
| 492 | N | A | -2.3691 | |
| 493 | Q | A | -2.7748 | |
| 494 | R | A | -3.0141 | |
| 495 | P | A | 0.0000 | |
| 496 | E | A | -2.3061 | |
| 497 | L | A | -1.0858 | |
| 498 | K | A | -1.5684 | |
| 499 | N | A | -1.3798 | |
| 500 | H | A | -1.1564 | |
| 501 | I | A | -1.2533 | |
| 502 | D | A | -2.3149 | |
| 503 | R | A | -2.2420 | |
| 504 | V | A | 0.0000 | |
| 505 | D | A | -1.2910 | |
| 506 | A | A | 0.0000 | |
| 507 | W | A | -0.7129 | |
| 508 | V | A | -0.7296 | |
| 509 | G | A | 0.0000 | |
| 510 | T | A | 0.0000 | |
| 511 | Y | A | 0.0000 | |
| 512 | F | A | -0.7245 | |
| 513 | E | A | -1.7739 | |
| 514 | V | A | -1.0755 | |
| 515 | K | A | -1.8620 | |
| 516 | I | A | 0.0000 | |
| 517 | P | A | -0.8928 | |
| 518 | S | A | 0.0000 | |
| 519 | D | A | 0.0000 | |
| 520 | T | A | 0.0000 | |
| 521 | F | A | 0.0000 | |
| 522 | Y | A | -0.9886 | |
| 523 | D | A | 0.0000 | |
| 524 | N | A | -2.2995 | |
| 525 | E | A | -2.3744 | |
| 526 | D | A | 0.0000 | |
| 527 | T | A | -1.2038 | |
| 528 | T | A | -1.1294 | |
| 529 | T | A | 0.0000 | |
| 530 | D | A | -3.0255 | |
| 531 | K | A | -3.3230 | |
| 532 | L | A | 0.0000 | |
| 533 | K | A | -3.0048 | |
| 534 | L | A | 0.0000 | |
| 535 | T | A | -0.3270 | |
| 536 | L | A | 0.0000 | |
| 537 | K | A | -0.8566 | |
| 538 | L | A | -1.6654 | |
| 539 | R | A | -3.1133 | |
| 540 | E | A | -3.3324 | |
| 541 | Q | A | -2.6998 | |
| 542 | Q | A | -1.9856 | |
| 543 | L | A | -0.0528 | |
| 544 | V | A | 0.0000 | |
| 545 | G | A | -1.4527 | |
| 546 | E | A | -2.7923 | |
| 547 | K | A | -3.2290 | |
| 548 | S | A | -1.7979 | |
| 549 | W | A | 0.0000 | |
| 550 | V | A | 0.0000 | |
| 551 | Q | A | 0.0000 | |
| 552 | F | A | -0.7409 | |
| 553 | N | A | -1.3220 | |
| 554 | S | A | -1.7079 | |
| 555 | N | A | -2.2939 | |
| 556 | S | A | -1.5289 | |
| 557 | Q | A | 0.0000 | |
| 558 | L | A | -1.1780 | |
| 559 | M | A | 0.0000 | |
| 560 | Y | A | 0.0000 | |
| 561 | G | A | 0.0000 | |
| 562 | L | A | 0.0000 | |
| 563 | P | A | 0.0000 | |
| 564 | D | A | -1.4556 | |
| 565 | S | A | -1.0699 | |
| 566 | S | A | -0.4828 | |
| 567 | H | A | -0.7646 | |
| 568 | V | A | -0.2574 | |
| 569 | G | A | -1.0225 | |
| 570 | K | A | -2.3279 | |
| 571 | H | A | -1.7384 | |
| 572 | E | A | -2.1080 | |
| 573 | Y | A | 0.0000 | |
| 574 | F | A | -0.3204 | |
| 575 | M | A | 0.0000 | |
| 576 | H | A | -0.0124 | |
| 577 | A | A | 0.0000 | |
| 578 | T | A | -1.4440 | |
| 579 | D | A | 0.0000 | |
| 580 | K | A | -2.8424 | |
| 581 | G | A | -1.9357 | |
| 582 | G | A | -1.4887 | |
| 583 | L | A | -0.8365 | |
| 584 | S | A | -0.9593 | |
| 585 | A | A | 0.0000 | |
| 586 | V | A | 0.8015 | |
| 587 | D | A | 0.0000 | |
| 588 | A | A | -0.5768 | |
| 589 | F | A | 0.0000 | |
| 590 | E | A | -2.1570 | |
| 591 | I | A | 0.0000 | |
| 592 | H | A | -1.3766 | |
| 593 | V | A | 0.0000 | |
| 594 | H | A | -1.2798 | |
| 595 | K | A | -1.9109 | |
| 596 | R | A | -1.7210 | |
| 597 | P | A | -1.3890 | |
| 598 | Q | A | -1.6031 | |
| 599 | G | A | -2.2008 | |
| 600 | D | A | -2.8483 | |
| 601 | K | A | -3.1463 | |
| 602 | A | A | 0.0000 | |
| 603 | P | A | 0.0000 | |
| 604 | A | A | 0.0000 | |
| 605 | R | A | -1.1891 | |
| 606 | F | A | 0.0000 | |
| 607 | K | A | -0.7716 | |
| 608 | A | A | 0.0000 | |
| 609 | K | A | -0.9090 | |
| 610 | L | A | 0.0000 | |
| 611 | A | A | -1.2432 | |
| 612 | G | A | -1.9371 | |
| 613 | D | A | -2.3945 | |
| 614 | P | A | 0.0000 | |
| 615 | A | A | -1.2587 | |
| 616 | P | A | -1.3587 | |
| 617 | V | A | 0.0000 | |
| 618 | V | A | -1.2647 | |
| 619 | N | A | -1.9883 | |
| 620 | D | A | -2.4334 | |
| 621 | I | A | 0.0000 | |
| 622 | H | A | -2.1585 | |
| 623 | K | A | -1.8963 | |
| 624 | K | A | -1.2126 | |
| 625 | I | A | 0.0000 | |
| 626 | A | A | -1.2284 | |
| 627 | L | A | 0.0000 | |
| 628 | V | A | 0.0000 | |
| 629 | K | A | -0.9563 | |
| 630 | K | A | -0.5995 | |
| 631 | L | A | 0.0000 | |
| 632 | A | A | 0.0000 | |
| 633 | F | A | 0.7524 | |
| 634 | A | A | -0.1500 | |
| 635 | F | A | 0.0000 | |
| 636 | G | A | -0.7819 | |
| 637 | D | A | -1.3425 | |
| 638 | R | A | -2.2479 | |
| 639 | N | A | -1.8409 | |
| 640 | C | A | -1.0693 | |
| 641 | S | A | -0.9823 | |
| 642 | S | A | 0.0000 | |
| 643 | I | A | 0.0000 | |
| 644 | T | A | 0.0000 | |
| 645 | L | A | 0.0000 | |
| 646 | Q | A | -1.4329 | |
| 647 | N | A | -1.6572 | |
| 648 | I | A | -0.8095 | |
| 649 | T | A | -1.1542 | |
| 650 | R | A | -2.3208 | |
| 651 | G | A | -1.7583 | |
| 652 | S | A | -1.3602 | |
| 653 | I | A | 0.0000 | |
| 654 | V | A | -0.5954 | |
| 655 | V | A | 0.0000 | |
| 656 | E | A | -1.0198 | |
| 657 | W | A | 0.0000 | |
| 658 | T | A | 0.0000 | |
| 659 | N | A | 0.0000 | |
| 660 | N | A | -0.3645 | |
| 661 | T | A | -0.4251 | |
| 662 | L | A | 0.0000 | |
| 663 | P | A | -0.7682 | |
| 664 | L | A | -1.1080 | |
| 665 | E | A | -2.0124 | |
| 666 | P | A | -1.3654 | |
| 667 | C | A | -1.4301 | |
| 668 | P | A | 0.0000 | |
| 669 | K | A | -2.0720 | |
| 670 | E | A | -2.6139 | |
| 671 | Q | A | -2.1389 | |
| 672 | I | A | 0.0000 | |
| 673 | V | A | -1.6130 | |
| 674 | G | A | -1.9147 | |
| 675 | L | A | -1.6091 | |
| 676 | S | A | 0.0000 | |
| 677 | R | A | -3.1885 | |
| 678 | R | A | -2.9410 | |
| 679 | I | A | 0.0000 | |
| 680 | A | A | 0.0000 | |
| 681 | D | A | -3.2105 | |
| 682 | E | A | -3.2529 | |
| 683 | N | A | -2.6019 | |
| 684 | G | A | 0.0000 | |
| 685 | K | A | -2.7453 | |
| 686 | P | A | -2.4897 | |
| 687 | R | A | -2.3584 | |
| 688 | P | A | -1.4338 | |
| 689 | A | A | -1.1208 | |
| 690 | F | A | 0.0000 | |
| 691 | S | A | -1.8155 | |
| 692 | N | A | -2.1657 | |
| 693 | A | A | 0.0000 | |
| 694 | L | A | 0.0000 | |
| 695 | E | A | -3.0161 | |
| 696 | P | A | -2.4319 | |
| 697 | D | A | -2.8633 | |
| 698 | F | A | 0.0000 | |
| 699 | K | A | -2.4044 | |
| 700 | A | A | 0.0000 | |
| 701 | L | A | -0.4394 | |
| 702 | S | A | -0.9168 | |
| 703 | V | A | 0.0000 | |
| 704 | A | A | -0.6560 | |
| 705 | V | A | 0.0000 | |
| 706 | A | A | -0.8069 | |
| 707 | G | A | -1.4859 | |
| 708 | S | A | 0.0000 | |
| 709 | G | A | -2.2488 | |
| 710 | S | A | -1.6650 | |
| 711 | C | A | 0.0000 | |
| 712 | R | A | -2.7129 | |
| 713 | H | A | -2.0462 | |
| 714 | L | A | -1.4779 | |
| 715 | Q | A | -1.2652 | |
| 716 | F | A | -0.6977 | |
| 717 | I | A | 0.0000 | |
| 718 | P | A | -0.2046 | |
| 719 | V | A | 1.1776 | |
| 720 | A | A | -0.1586 | |
| 721 | P | A | -0.1713 | |
| 722 | P | A | -0.3734 | |
| 723 | S | A | -0.6713 | |
| 724 | P | A | -0.7381 | |
| 725 | G | A | -0.7765 | |
| 726 | T | A | -0.4792 | |
| 727 | S | A | -0.3752 | |
| 728 | A | A | -0.1507 | |
| 729 | A | A | -0.0831 | |
| 730 | P | A | -0.2014 | |
| 731 | A | A | -0.4886 | |
| 732 | T | A | -0.6232 | |
| 733 | E | A | -1.0311 | |
| 734 | V | A | 0.3212 | |
| 735 | P | A | -0.9152 | |
| 736 | D | A | -2.8351 | |
| 737 | R | A | -3.9349 | |
| 738 | D | A | -3.8566 | |
| 739 | P | A | -3.0505 | |
| 740 | E | A | -3.8202 | |
| 741 | K | A | -3.9154 | |
| 742 | S | A | -2.6130 | |
| 743 | S | A | -2.5278 | |
| 744 | E | A | -3.2178 | |
| 745 | D | A | -2.6087 | |
| 746 | D | A | -1.9540 | |
| 747 | V | A | 0.2389 | |
| 748 | Y | A | 0.9934 | |
| 749 | L | A | 0.7764 | |
| 750 | H | A | -0.1616 | |
| 751 | T | A | 0.9439 | |
| 752 | V | A | 2.8640 | |
| 753 | I | A | 3.2768 | |
| 754 | P | A | 2.4273 | |
| 755 | A | A | 2.9175 | |
| 756 | V | A | 4.2696 | |
| 757 | V | A | 4.8034 | |
| 758 | V | A | 4.9815 | |
| 759 | A | A | 4.0722 | |
| 760 | A | A | 4.1507 | |
| 761 | I | A | 5.2745 | |
| 762 | L | A | 5.0073 | |
| 763 | L | A | 4.6305 | |
| 764 | I | A | 4.6032 | |
| 765 | A | A | 3.5511 | |
| 766 | G | A | 3.0825 | |
| 767 | I | A | 4.0078 | |
| 768 | I | A | 3.9081 | |
| 769 | A | A | 2.4710 | |
| 770 | M | A | 1.8832 | |
| 771 | I | A | 1.5853 | |
| 772 | C | A | 0.2734 | |
| 773 | Y | A | -0.4362 | |
| 774 | R | A | -2.7590 | |
| 775 | K | A | -3.8518 | |
| 776 | K | A | -4.1645 | |
| 777 | R | A | -4.5351 | |
| 778 | K | A | -4.4423 | |
| 779 | G | A | -3.3798 | |
| 780 | K | A | -2.2502 | |
| 781 | L | A | 0.1604 | |
| 782 | T | A | -0.1404 | |
| 783 | L | A | -0.0347 | |
| 784 | E | A | -2.0860 | |
| 785 | D | A | -2.3591 | |
| 786 | Q | A | -1.5604 | |
| 787 | A | A | -0.6120 | |
| 788 | T | A | 0.1578 | |
| 789 | F | A | 1.6108 | |
| 790 | I | A | 1.4978 | |
| 791 | K | A | -0.8199 | |
| 792 | K | A | -1.4260 | |
| 793 | G | A | -0.4211 | |
| 794 | V | A | 1.5378 | |
| 795 | P | A | 1.7533 | |
| 796 | I | A | 3.7403 | |
| 797 | I | A | 3.7695 | |
| 798 | F | A | 2.7076 | |
| 799 | A | A | 0.4578 | |
| 800 | D | A | -1.6845 | |
| 801 | E | A | -1.8273 | |
| 802 | L | A | -0.6179 | |
| 803 | D | A | -2.6765 | |
| 804 | D | A | -3.0361 | |
| 805 | S | A | -2.1590 | |
| 806 | K | A | -2.3494 | |
| 807 | P | A | -1.2882 | |
| 808 | P | A | -0.9375 | |
| 809 | P | A | -0.5747 | |
| 810 | S | A | -0.5401 | |
| 811 | S | A | -0.2969 | |
| 812 | S | A | 0.0938 | |
| 813 | M | A | 1.3312 | |
| 814 | P | A | 1.4213 | |
| 815 | L | A | 2.8130 | |
| 816 | I | A | 3.0409 | |
| 817 | L | A | 1.4980 | |
| 818 | Q | A | -1.2706 | |
| 819 | E | A | -3.1900 | |
| 820 | E | A | -3.6968 | |
| 821 | K | A | -3.0103 | |
| 822 | A | A | -1.1925 | |
| 823 | P | A | 0.0358 | |
| 824 | L | A | 1.0417 | |
| 825 | P | A | 0.0182 | |
| 826 | P | A | -0.4451 | |
| 827 | P | A | -0.8490 | |
| 828 | E | A | -1.6093 | |
| 829 | Y | A | -0.2007 | |
| 830 | P | A | -1.0045 | |
| 831 | N | A | -1.9334 | |
| 832 | Q | A | -1.4640 | |
| 833 | S | A | -0.2850 | |
| 834 | V | A | 0.9071 | |
| 835 | P | A | -0.3904 | |
| 836 | E | A | -1.6200 | |
| 837 | T | A | -1.0804 | |
| 838 | T | A | -0.2950 | |
| 839 | P | A | 0.1920 | |
| 840 | L | A | 0.5690 | |
| 841 | N | A | -1.5403 | |
| 842 | Q | A | -2.4729 | |
| 843 | D | A | -2.3379 | |
| 844 | T | A | -0.3779 | |
| 845 | V | A | 0.7560 | |
| 846 | G | A | -0.2492 | |
| 847 | E | A | -1.0438 | |
| 848 | Y | A | 0.2653 | |
| 849 | T | A | 0.4140 | |
| 850 | P | A | 0.3459 | |
| 851 | L | A | 0.1412 | |
| 852 | R | A | -2.4308 | |
| 853 | D | A | -3.6569 | |
| 854 | E | A | -4.1855 | |
| 855 | D | A | -3.5402 | |
| 856 | P | A | -2.4276 | |
| 857 | N | A | -2.2019 | |
| 858 | A | A | -1.0054 | |
| 859 | P | A | -0.5078 | |
| 860 | P | A | -0.1959 | |
| 861 | Y | A | 0.4822 | |
| 862 | Q | A | -0.8490 | |
| 863 | P | A | -0.7096 | |
| 864 | P | A | -0.4439 | |
| 865 | P | A | -0.2403 | |
| 866 | P | A | 0.4649 | |
| 867 | F | A | 1.6793 | |
| 868 | T | A | 0.8608 | |
| 869 | A | A | 0.4239 | |
| 870 | P | A | 0.0368 | |
| 871 | M | A | -0.2315 | |
| 872 | E | A | -2.1031 | |
| 873 | G | A | -2.0954 | |
| 874 | K | A | -2.7703 | |
| 875 | G | A | -2.2314 | |
| 876 | S | A | -2.0188 | |
| 877 | R | A | -2.9329 | |
| 878 | P | A | -2.2624 | |
| 879 | K | A | -2.6393 | |
| 880 | N | A | -1.9217 | |
| 881 | M | A | -0.0612 | |
| 882 | T | A | 0.0292 | |
| 883 | P | A | -0.0889 | |
| 884 | Y | A | -0.2225 | |
| 885 | R | A | -1.6085 | |
| 886 | S | A | -1.3107 | |
| 887 | P | A | -0.8783 | |
| 888 | P | A | -0.1855 | |
| 889 | P | A | 0.3373 | |
| 890 | Y | A | 1.7600 | |
| 891 | V | A | 2.0615 | |
| 892 | P | A | 0.7893 | |
| 893 | P | A | 0.1781 |
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 | -0.0736 | 7.2208 | View | CSV | PDB |
| 4.5 | -0.1392 | 7.1443 | View | CSV | PDB |
| 5.0 | -0.219 | 7.0544 | View | CSV | PDB |
| 5.5 | -0.2964 | 7.0544 | View | CSV | PDB |
| 6.0 | -0.3549 | 7.0544 | View | CSV | PDB |
| 6.5 | -0.3853 | 7.0544 | View | CSV | PDB |
| 7.0 | -0.3887 | 7.0544 | View | CSV | PDB |
| 7.5 | -0.3745 | 7.0544 | View | CSV | PDB |
| 8.0 | -0.3505 | 7.0544 | View | CSV | PDB |
| 8.5 | -0.3192 | 7.0544 | View | CSV | PDB |
| 9.0 | -0.2795 | 7.0544 | 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