| Chain sequence(s) | MTLHSNSTTSPLFPNISSSWVHSPSEAGLPLGTVTQLGSYNISQETGNFSSNDTSSDPLGGHTIWQVVFIAFLTGFLALVTIIGNILVIVAFKVNKQLKTVNNYFLLSLACADLIIGVISMNLFTTYIIMNRWALGNLACDLWLSIDYVASNASVMNLLVISFDRYFSITRPLTYRAKRTTKRAGVMIGLAWVISFVLWAPAILFWQYFVGKRTVPPGECFIQFLSEPTITFGTAIAAFYMPVTIMTILYWRIYKETEKRTKELAGLQASGTEAEAENFVHPTGSSRSCSSYELQQQGVKRSSRRKYGRCHFWFTTKSWKPSAEQMDQDHSSSDSWNNNDAAASLENSASSDEEDIGSETRAIYSIVLKLPGHSSILNSTKLPSSDNLQVSNEDLGTVDVERNAHKLQAQKSMGDGDNCQKDFTKLPIQLESAVDTGKTSDTNSSADKTTATLPLSFKEATLAKRFALKTRSQITKRKRMSLIKEKKAAQTLSAILLAFIITWTPYNIMVLVNTFCDSCIPKTYWNLGYWLCYINSTVNPVCYALCNKTFRTTFKTLLLCQCDKRKRRKQQYQQRQSVIFHKRVPEQAL 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] (00:00:02)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:02)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with A chain(s) selected (00:00:02)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:02)
[INFO] PDB-Info: The input structure is partially or entirely disordered. Average score is
recommended for pH analysis. (00:00:06)
[INFO] FoldX: Starting FoldX energy minimization (00:00:06)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:18:53)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/a83560a4e639b9/tmp/folded.pdb (00:18:53)
[INFO] Main: Simulation completed successfully. (00:29:38)
|
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 | 1.3627 | |
| 2 | T | A | 0.9642 | |
| 3 | L | A | 1.2279 | |
| 4 | H | A | -0.6553 | |
| 5 | S | A | -1.1033 | |
| 6 | N | A | -1.7377 | |
| 7 | S | A | -0.9760 | |
| 8 | T | A | -0.5240 | |
| 9 | T | A | -0.3012 | |
| 10 | S | A | -0.0802 | |
| 11 | P | A | 0.7468 | |
| 12 | L | A | 2.2465 | |
| 13 | F | A | 2.2208 | |
| 14 | P | A | 0.9181 | |
| 15 | N | A | -0.0536 | |
| 16 | I | A | 1.1910 | |
| 17 | S | A | 0.2830 | |
| 18 | S | A | 0.4076 | |
| 19 | S | A | 0.6037 | |
| 20 | W | A | 1.6693 | |
| 21 | V | A | 1.7486 | |
| 22 | H | A | -0.0396 | |
| 23 | S | A | -0.5429 | |
| 24 | P | A | -1.0761 | |
| 25 | S | A | -1.2956 | |
| 26 | E | A | -2.0473 | |
| 27 | A | A | -0.7682 | |
| 28 | G | A | -0.1069 | |
| 29 | L | A | 1.5057 | |
| 30 | P | A | 1.0381 | |
| 31 | L | A | 1.4802 | |
| 32 | G | A | 0.5972 | |
| 33 | T | A | 0.8791 | |
| 34 | V | A | 1.3210 | |
| 35 | T | A | 0.4911 | |
| 36 | Q | A | -0.2080 | |
| 37 | L | A | 0.8136 | |
| 38 | G | A | 0.0604 | |
| 39 | S | A | 0.3635 | |
| 40 | Y | A | 1.1000 | |
| 41 | N | A | 0.0666 | |
| 42 | I | A | 1.0695 | |
| 43 | S | A | -0.4172 | |
| 44 | Q | A | -1.9234 | |
| 45 | E | A | -2.5600 | |
| 46 | T | A | -1.5742 | |
| 47 | G | A | -1.2996 | |
| 48 | N | A | -0.8919 | |
| 49 | F | A | 0.8246 | |
| 50 | S | A | -0.4445 | |
| 51 | S | A | -1.1296 | |
| 52 | N | A | -2.0983 | |
| 53 | D | A | -2.6482 | |
| 54 | T | A | -1.8618 | |
| 55 | S | A | -1.5934 | |
| 56 | S | A | -1.4731 | |
| 57 | D | A | -2.0425 | |
| 58 | P | A | -1.3041 | |
| 59 | L | A | -0.4658 | |
| 60 | G | A | -1.2690 | |
| 61 | G | A | -0.8016 | |
| 62 | H | A | 0.0425 | |
| 63 | T | A | 1.1327 | |
| 64 | I | A | 2.9736 | |
| 65 | W | A | 2.7794 | |
| 66 | Q | A | 1.7259 | |
| 67 | V | A | 0.0000 | |
| 68 | V | A | 3.8093 | |
| 69 | F | A | 3.4172 | |
| 70 | I | A | 2.6481 | |
| 71 | A | A | 2.5016 | |
| 72 | F | A | 3.6848 | |
| 73 | L | A | 3.0565 | |
| 74 | T | A | 0.0000 | |
| 75 | G | A | 2.1841 | |
| 76 | F | A | 3.4118 | |
| 77 | L | A | 2.4868 | |
| 78 | A | A | 0.0000 | |
| 79 | L | A | 3.1081 | |
| 80 | V | A | 2.6589 | |
| 81 | T | A | 0.0000 | |
| 82 | I | A | 2.5760 | |
| 83 | I | A | 2.4877 | |
| 84 | G | A | 1.7418 | |
| 85 | N | A | 0.0000 | |
| 86 | I | A | 1.8978 | |
| 87 | L | A | 1.3858 | |
| 88 | V | A | 0.0000 | |
| 89 | I | A | 0.8501 | |
| 90 | V | A | 0.8112 | |
| 91 | A | A | 0.0000 | |
| 92 | F | A | -0.6811 | |
| 93 | K | A | -1.4236 | |
| 94 | V | A | -0.4033 | |
| 95 | N | A | -1.5132 | |
| 96 | K | A | -2.8365 | |
| 97 | Q | A | -2.3570 | |
| 98 | L | A | 0.0000 | |
| 99 | K | A | -2.2715 | |
| 100 | T | A | -1.0198 | |
| 101 | V | A | -0.8040 | |
| 102 | N | A | -0.2646 | |
| 103 | N | A | 0.0000 | |
| 104 | Y | A | 0.3054 | |
| 105 | F | A | 0.0000 | |
| 106 | L | A | 0.4535 | |
| 107 | L | A | 0.4286 | |
| 108 | S | A | 0.0000 | |
| 109 | L | A | 0.0000 | |
| 110 | A | A | 0.0000 | |
| 111 | C | A | 0.7623 | |
| 112 | A | A | 0.0000 | |
| 113 | D | A | 0.0000 | |
| 114 | L | A | 1.3845 | |
| 115 | I | A | 1.3516 | |
| 116 | I | A | 0.0000 | |
| 117 | G | A | 0.0000 | |
| 118 | V | A | 1.5491 | |
| 119 | I | A | 1.2359 | |
| 120 | S | A | 0.0000 | |
| 121 | M | A | 0.0000 | |
| 122 | N | A | -0.0179 | |
| 123 | L | A | 0.4530 | |
| 124 | F | A | 0.0000 | |
| 125 | T | A | 0.0354 | |
| 126 | T | A | -0.1633 | |
| 127 | Y | A | -0.3790 | |
| 128 | I | A | -0.3097 | |
| 129 | I | A | 0.0000 | |
| 130 | M | A | -0.7239 | |
| 131 | N | A | -1.6186 | |
| 132 | R | A | -2.1660 | |
| 133 | W | A | 0.0000 | |
| 134 | A | A | -0.3455 | |
| 135 | L | A | 0.8485 | |
| 136 | G | A | -0.1026 | |
| 137 | N | A | -0.6118 | |
| 138 | L | A | 1.2707 | |
| 139 | A | A | 0.8525 | |
| 140 | C | A | 0.0000 | |
| 141 | D | A | 0.0000 | |
| 142 | L | A | 1.1931 | |
| 143 | W | A | 0.0000 | |
| 144 | L | A | 0.0000 | |
| 145 | S | A | 0.0000 | |
| 146 | I | A | 1.3325 | |
| 147 | D | A | 0.0000 | |
| 148 | Y | A | 0.0000 | |
| 149 | V | A | 0.0000 | |
| 150 | A | A | 0.0000 | |
| 151 | S | A | 0.1678 | |
| 152 | N | A | 0.0000 | |
| 153 | A | A | 0.0000 | |
| 154 | S | A | 0.0000 | |
| 155 | V | A | 0.0000 | |
| 156 | M | A | 0.0000 | |
| 157 | N | A | 0.0000 | |
| 158 | L | A | 0.0000 | |
| 159 | L | A | 0.0000 | |
| 160 | V | A | 0.8276 | |
| 161 | I | A | 0.0000 | |
| 162 | S | A | 0.0000 | |
| 163 | F | A | 1.7986 | |
| 164 | D | A | 0.0000 | |
| 165 | R | A | 0.5546 | |
| 166 | Y | A | 1.0381 | |
| 167 | F | A | 1.2892 | |
| 168 | S | A | 0.0540 | |
| 169 | I | A | 0.0000 | |
| 170 | T | A | -0.2714 | |
| 171 | R | A | -1.0436 | |
| 172 | P | A | -0.3143 | |
| 173 | L | A | 0.4073 | |
| 174 | T | A | -0.5264 | |
| 175 | Y | A | -1.0864 | |
| 176 | R | A | -1.9372 | |
| 177 | A | A | -1.4522 | |
| 178 | K | A | -2.3427 | |
| 179 | R | A | -2.1600 | |
| 180 | T | A | -2.0148 | |
| 181 | T | A | -1.4115 | |
| 182 | K | A | -2.3268 | |
| 183 | R | A | -2.4834 | |
| 184 | A | A | 0.0000 | |
| 185 | G | A | -0.4383 | |
| 186 | V | A | 0.5047 | |
| 187 | M | A | 0.7355 | |
| 188 | I | A | 0.0000 | |
| 189 | G | A | 1.2097 | |
| 190 | L | A | 2.5487 | |
| 191 | A | A | 0.0000 | |
| 192 | W | A | 2.4032 | |
| 193 | V | A | 3.5863 | |
| 194 | I | A | 3.2627 | |
| 195 | S | A | 0.0000 | |
| 196 | F | A | 3.7384 | |
| 197 | V | A | 3.4678 | |
| 198 | L | A | 2.1637 | |
| 199 | W | A | 0.0000 | |
| 200 | A | A | 1.6842 | |
| 201 | P | A | 1.4280 | |
| 202 | A | A | 1.4444 | |
| 203 | I | A | 0.0000 | |
| 204 | L | A | 1.9673 | |
| 205 | F | A | 3.0290 | |
| 206 | W | A | 1.9243 | |
| 207 | Q | A | 1.0568 | |
| 208 | Y | A | 2.4111 | |
| 209 | F | A | 2.8658 | |
| 210 | V | A | 1.2241 | |
| 211 | G | A | 0.1303 | |
| 212 | K | A | -1.4774 | |
| 213 | R | A | -1.2674 | |
| 214 | T | A | -0.8954 | |
| 215 | V | A | 0.0000 | |
| 216 | P | A | -0.8002 | |
| 217 | P | A | -1.2956 | |
| 218 | G | A | -1.6116 | |
| 219 | E | A | -2.0002 | |
| 220 | C | A | 0.0000 | |
| 221 | F | A | 0.5806 | |
| 222 | I | A | 0.0000 | |
| 223 | Q | A | 0.0000 | |
| 224 | F | A | 0.0000 | |
| 225 | L | A | 0.0000 | |
| 226 | S | A | -0.5773 | |
| 227 | E | A | -0.4318 | |
| 228 | P | A | 0.1899 | |
| 229 | T | A | -0.0325 | |
| 230 | I | A | 0.3649 | |
| 231 | T | A | 0.0000 | |
| 232 | F | A | 0.8597 | |
| 233 | G | A | 0.4366 | |
| 234 | T | A | 0.5973 | |
| 235 | A | A | 0.0000 | |
| 236 | I | A | 1.6769 | |
| 237 | A | A | 0.9119 | |
| 238 | A | A | 0.0000 | |
| 239 | F | A | 0.0000 | |
| 240 | Y | A | 1.2602 | |
| 241 | M | A | 1.2450 | |
| 242 | P | A | 0.0000 | |
| 243 | V | A | 1.0640 | |
| 244 | T | A | 1.0651 | |
| 245 | I | A | 1.5404 | |
| 246 | M | A | 0.0000 | |
| 247 | T | A | 1.2683 | |
| 248 | I | A | 1.7909 | |
| 249 | L | A | 0.0000 | |
| 250 | Y | A | 0.0000 | |
| 251 | W | A | 0.9709 | |
| 252 | R | A | -0.8963 | |
| 253 | I | A | 0.0000 | |
| 254 | Y | A | -0.7602 | |
| 255 | K | A | -2.5155 | |
| 256 | E | A | -2.1973 | |
| 257 | T | A | 0.0000 | |
| 258 | E | A | -3.8805 | |
| 259 | K | A | -3.7646 | |
| 260 | R | A | -3.1182 | |
| 261 | T | A | -2.9457 | |
| 262 | K | A | -3.5792 | |
| 263 | E | A | -3.2306 | |
| 264 | L | A | 0.0000 | |
| 265 | A | A | -1.4982 | |
| 266 | G | A | -1.1594 | |
| 267 | L | A | -0.1672 | |
| 268 | Q | A | -1.2206 | |
| 269 | A | A | -0.9471 | |
| 270 | S | A | -0.9460 | |
| 271 | G | A | -1.1382 | |
| 272 | T | A | -1.7809 | |
| 273 | E | A | -2.7546 | |
| 274 | A | A | -2.0164 | |
| 275 | E | A | -1.6958 | |
| 276 | A | A | -1.2767 | |
| 277 | E | A | -2.0491 | |
| 278 | N | A | -1.3392 | |
| 279 | F | A | 0.9609 | |
| 280 | V | A | 1.0954 | |
| 281 | H | A | -0.4185 | |
| 282 | P | A | -0.2200 | |
| 283 | T | A | -0.5438 | |
| 284 | G | A | -1.0572 | |
| 285 | S | A | -1.0022 | |
| 286 | S | A | -1.3931 | |
| 287 | R | A | -2.0050 | |
| 288 | S | A | -0.9252 | |
| 289 | C | A | 0.1772 | |
| 290 | S | A | -0.1321 | |
| 291 | S | A | 0.1660 | |
| 292 | Y | A | 0.6512 | |
| 293 | E | A | -0.9220 | |
| 294 | L | A | 0.0288 | |
| 295 | Q | A | -1.7257 | |
| 296 | Q | A | -2.1721 | |
| 297 | Q | A | -1.9629 | |
| 298 | G | A | -1.1059 | |
| 299 | V | A | -0.2435 | |
| 300 | K | A | -2.0486 | |
| 301 | R | A | -2.4158 | |
| 302 | S | A | -1.8535 | |
| 303 | S | A | -2.0248 | |
| 304 | R | A | -3.2413 | |
| 305 | R | A | -3.5006 | |
| 306 | K | A | -2.6430 | |
| 307 | Y | A | -0.5345 | |
| 308 | G | A | -1.1942 | |
| 309 | R | A | -1.6555 | |
| 310 | C | A | -0.3103 | |
| 311 | H | A | 0.2360 | |
| 312 | F | A | 2.6104 | |
| 313 | W | A | 2.8457 | |
| 314 | F | A | 2.6914 | |
| 315 | T | A | 0.8015 | |
| 316 | T | A | -0.3615 | |
| 317 | K | A | -1.3958 | |
| 318 | S | A | -0.9760 | |
| 319 | W | A | -0.2302 | |
| 320 | K | A | -1.2745 | |
| 321 | P | A | -0.8972 | |
| 322 | S | A | -1.0126 | |
| 323 | A | A | -1.2419 | |
| 324 | E | A | -2.2872 | |
| 325 | Q | A | -2.0891 | |
| 326 | M | A | -1.0915 | |
| 327 | D | A | -2.4499 | |
| 328 | Q | A | -2.9378 | |
| 329 | D | A | -3.2744 | |
| 330 | H | A | -2.2779 | |
| 331 | S | A | -1.2213 | |
| 332 | S | A | -1.0178 | |
| 333 | S | A | -1.2226 | |
| 334 | D | A | -1.9233 | |
| 335 | S | A | -1.0937 | |
| 336 | W | A | -0.4188 | |
| 337 | N | A | -2.1136 | |
| 338 | N | A | -2.6607 | |
| 339 | N | A | -2.8258 | |
| 340 | D | A | -2.8648 | |
| 341 | A | A | -1.1070 | |
| 342 | A | A | -0.6975 | |
| 343 | A | A | -0.7612 | |
| 344 | S | A | -0.5156 | |
| 345 | L | A | 0.1833 | |
| 346 | E | A | -1.8045 | |
| 347 | N | A | -1.8622 | |
| 348 | S | A | -1.3509 | |
| 349 | A | A | -1.6382 | |
| 350 | S | A | -2.2263 | |
| 351 | S | A | -2.5387 | |
| 352 | D | A | -3.8375 | |
| 353 | E | A | -4.0473 | |
| 354 | E | A | -4.2840 | |
| 355 | D | A | -4.0835 | |
| 356 | I | A | -2.9485 | |
| 357 | G | A | -2.7796 | |
| 358 | S | A | -2.4675 | |
| 359 | E | A | -2.2809 | |
| 360 | T | A | -1.0053 | |
| 361 | R | A | -0.9644 | |
| 362 | A | A | 0.6524 | |
| 363 | I | A | 2.7860 | |
| 364 | Y | A | 2.6162 | |
| 365 | S | A | 2.1753 | |
| 366 | I | A | 3.7354 | |
| 367 | V | A | 3.6306 | |
| 368 | L | A | 2.8547 | |
| 369 | K | A | 0.8102 | |
| 370 | L | A | 1.4590 | |
| 371 | P | A | -0.0420 | |
| 372 | G | A | -0.5288 | |
| 373 | H | A | 0.0227 | |
| 374 | S | A | 0.1441 | |
| 375 | S | A | 0.1633 | |
| 376 | I | A | 1.5460 | |
| 377 | L | A | 0.6557 | |
| 378 | N | A | -0.8575 | |
| 379 | S | A | -0.3225 | |
| 380 | T | A | -0.3976 | |
| 381 | K | A | -1.3141 | |
| 382 | L | A | 0.4614 | |
| 383 | P | A | -0.4069 | |
| 384 | S | A | -0.8960 | |
| 385 | S | A | -1.1354 | |
| 386 | D | A | -2.3987 | |
| 387 | N | A | -1.5878 | |
| 388 | L | A | 0.3172 | |
| 389 | Q | A | -0.3925 | |
| 390 | V | A | 1.0393 | |
| 391 | S | A | -0.4736 | |
| 392 | N | A | -2.4215 | |
| 393 | E | A | -3.0573 | |
| 394 | D | A | -2.2111 | |
| 395 | L | A | -0.0121 | |
| 396 | G | A | 0.2354 | |
| 397 | T | A | 0.5444 | |
| 398 | V | A | 1.1452 | |
| 399 | D | A | -0.4584 | |
| 400 | V | A | -0.0241 | |
| 401 | E | A | -2.5406 | |
| 402 | R | A | -3.0573 | |
| 403 | N | A | -2.8131 | |
| 404 | A | A | -1.7989 | |
| 405 | H | A | -1.7609 | |
| 406 | K | A | -1.7065 | |
| 407 | L | A | -0.0701 | |
| 408 | Q | A | -1.0182 | |
| 409 | A | A | -1.2540 | |
| 410 | Q | A | -2.2743 | |
| 411 | K | A | -2.1465 | |
| 412 | S | A | -0.8623 | |
| 413 | M | A | -0.0219 | |
| 414 | G | A | -0.9576 | |
| 415 | D | A | -2.3882 | |
| 416 | G | A | -2.5480 | |
| 417 | D | A | -3.0373 | |
| 418 | N | A | -2.4230 | |
| 419 | C | A | -1.2358 | |
| 420 | Q | A | -2.4281 | |
| 421 | K | A | -2.7085 | |
| 422 | D | A | -2.1557 | |
| 423 | F | A | 0.1629 | |
| 424 | T | A | -0.2917 | |
| 425 | K | A | -0.6065 | |
| 426 | L | A | 0.8851 | |
| 427 | P | A | 0.8686 | |
| 428 | I | A | 1.6565 | |
| 429 | Q | A | 0.1389 | |
| 430 | L | A | 0.4744 | |
| 431 | E | A | -1.0448 | |
| 432 | S | A | -0.6046 | |
| 433 | A | A | 0.0508 | |
| 434 | V | A | 0.6140 | |
| 435 | D | A | -1.0473 | |
| 436 | T | A | -1.1785 | |
| 437 | G | A | -1.7795 | |
| 438 | K | A | -2.2231 | |
| 439 | T | A | -1.6318 | |
| 440 | S | A | -1.6168 | |
| 441 | D | A | -2.3771 | |
| 442 | T | A | -1.6704 | |
| 443 | N | A | -1.8270 | |
| 444 | S | A | -1.0044 | |
| 445 | S | A | -0.9498 | |
| 446 | A | A | -1.3271 | |
| 447 | D | A | -2.6521 | |
| 448 | K | A | -2.5954 | |
| 449 | T | A | -1.3793 | |
| 450 | T | A | -0.5875 | |
| 451 | A | A | 0.1071 | |
| 452 | T | A | 0.7121 | |
| 453 | L | A | 1.7562 | |
| 454 | P | A | 1.4794 | |
| 455 | L | A | 1.6064 | |
| 456 | S | A | 0.8187 | |
| 457 | F | A | 1.1826 | |
| 458 | K | A | -0.8906 | |
| 459 | E | A | -1.1945 | |
| 460 | A | A | -0.1442 | |
| 461 | T | A | -0.4755 | |
| 462 | L | A | 0.2514 | |
| 463 | A | A | -0.2645 | |
| 464 | K | A | -1.2529 | |
| 465 | R | A | -1.4795 | |
| 466 | F | A | 0.4713 | |
| 467 | A | A | -0.5188 | |
| 468 | L | A | -1.1097 | |
| 469 | K | A | -1.8237 | |
| 470 | T | A | -1.1134 | |
| 471 | R | A | -1.5585 | |
| 472 | S | A | -1.6775 | |
| 473 | Q | A | -2.0467 | |
| 474 | I | A | -0.5609 | |
| 475 | T | A | -1.6936 | |
| 476 | K | A | -2.8351 | |
| 477 | R | A | -2.6605 | |
| 478 | K | A | -2.4577 | |
| 479 | R | A | -2.3662 | |
| 480 | M | A | -1.4635 | |
| 481 | S | A | -1.8683 | |
| 482 | L | A | 0.0000 | |
| 483 | I | A | -0.9526 | |
| 484 | K | A | -2.4265 | |
| 485 | E | A | -2.0845 | |
| 486 | K | A | -2.3143 | |
| 487 | K | A | -2.7314 | |
| 488 | A | A | -1.8399 | |
| 489 | A | A | 0.0000 | |
| 490 | Q | A | -1.9407 | |
| 491 | T | A | -0.7090 | |
| 492 | L | A | -0.2893 | |
| 493 | S | A | 0.1431 | |
| 494 | A | A | 0.4038 | |
| 495 | I | A | 0.0000 | |
| 496 | L | A | 0.0000 | |
| 497 | L | A | 2.2637 | |
| 498 | A | A | 1.7650 | |
| 499 | F | A | 0.0000 | |
| 500 | I | A | 2.0443 | |
| 501 | I | A | 2.7200 | |
| 502 | T | A | 0.0000 | |
| 503 | W | A | 0.0000 | |
| 504 | T | A | 1.3255 | |
| 505 | P | A | 1.3735 | |
| 506 | Y | A | 0.0000 | |
| 507 | N | A | 0.0000 | |
| 508 | I | A | 2.0654 | |
| 509 | M | A | 0.0000 | |
| 510 | V | A | 0.0000 | |
| 511 | L | A | 1.6910 | |
| 512 | V | A | 1.8496 | |
| 513 | N | A | 0.6811 | |
| 514 | T | A | 0.6206 | |
| 515 | F | A | 1.7897 | |
| 516 | C | A | 0.5884 | |
| 517 | D | A | -1.1270 | |
| 518 | S | A | -0.5611 | |
| 519 | C | A | 0.4405 | |
| 520 | I | A | 0.0361 | |
| 521 | P | A | -0.7417 | |
| 522 | K | A | -1.2787 | |
| 523 | T | A | -0.2207 | |
| 524 | Y | A | 0.6850 | |
| 525 | W | A | 0.2438 | |
| 526 | N | A | 0.2217 | |
| 527 | L | A | 1.2170 | |
| 528 | G | A | 0.0000 | |
| 529 | Y | A | 0.0000 | |
| 530 | W | A | 0.0000 | |
| 531 | L | A | 1.1826 | |
| 532 | C | A | 0.8832 | |
| 533 | Y | A | 0.0000 | |
| 534 | I | A | 0.8419 | |
| 535 | N | A | 0.0000 | |
| 536 | S | A | 0.0000 | |
| 537 | T | A | 1.2059 | |
| 538 | V | A | 0.9511 | |
| 539 | N | A | 0.0000 | |
| 540 | P | A | 0.0000 | |
| 541 | V | A | 1.4909 | |
| 542 | C | A | 1.0165 | |
| 543 | Y | A | 0.0000 | |
| 544 | A | A | -0.1193 | |
| 545 | L | A | 1.0851 | |
| 546 | C | A | -0.2247 | |
| 547 | N | A | -1.4585 | |
| 548 | K | A | -2.1944 | |
| 549 | T | A | -1.8556 | |
| 550 | F | A | 0.0000 | |
| 551 | R | A | -2.1633 | |
| 552 | T | A | -1.8531 | |
| 553 | T | A | 0.0000 | |
| 554 | F | A | 0.0000 | |
| 555 | K | A | -1.1187 | |
| 556 | T | A | -0.5103 | |
| 557 | L | A | 1.0156 | |
| 558 | L | A | 1.8515 | |
| 559 | L | A | 1.7232 | |
| 560 | C | A | 0.8891 | |
| 561 | Q | A | -1.1558 | |
| 562 | C | A | -1.6888 | |
| 563 | D | A | -3.4694 | |
| 564 | K | A | -4.6701 | |
| 565 | R | A | -5.4572 | |
| 566 | K | A | -5.6661 | |
| 567 | R | A | -6.0315 | |
| 568 | R | A | -5.9062 | |
| 569 | K | A | -5.5829 | |
| 570 | Q | A | -4.9805 | |
| 571 | Q | A | -4.4799 | |
| 572 | Y | A | -2.6922 | |
| 573 | Q | A | -3.0483 | |
| 574 | Q | A | -2.7872 | |
| 575 | R | A | -2.4493 | |
| 576 | Q | A | -1.3939 | |
| 577 | S | A | -0.6613 | |
| 578 | V | A | -0.2224 | |
| 579 | I | A | -0.0414 | |
| 580 | F | A | 0.4414 | |
| 581 | H | A | -0.8240 | |
| 582 | K | A | -1.8513 | |
| 583 | R | A | -1.7841 | |
| 584 | V | A | -0.1882 | |
| 585 | P | A | -1.2060 | |
| 586 | E | A | -2.3000 | |
| 587 | Q | A | -1.5639 | |
| 588 | A | A | -0.1196 | |
| 589 | L | A | 0.8139 |
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 | -0.2336 | 7.2675 | View | CSV | PDB |
| 4.5 | -0.2851 | 7.2675 | View | CSV | PDB |
| 5.0 | -0.3475 | 7.2675 | View | CSV | PDB |
| 5.5 | -0.4041 | 7.2675 | View | CSV | PDB |
| 6.0 | -0.4365 | 7.2675 | View | CSV | PDB |
| 6.5 | -0.4353 | 7.2675 | View | CSV | PDB |
| 7.0 | -0.4048 | 7.2675 | View | CSV | PDB |
| 7.5 | -0.3559 | 7.2675 | View | CSV | PDB |
| 8.0 | -0.2974 | 7.2675 | View | CSV | PDB |
| 8.5 | -0.2323 | 7.2675 | View | CSV | PDB |
| 9.0 | -0.1604 | 7.2675 | 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