| Chain sequence(s) | MNLQLVFWIGLISLICSVFGQTDKNRCLKANAKSCGECIQAGPNCGWCTNTTFLQEGMPTSARCDDLEALKKKGCHPSDIENPRGSQTIKKNKNVTNRSKGMAEKLRPEDITQIQPQQLLLKLRSGEPQKFTLKFKRAEDYPIDLYYLMDLSYSMKDDLENVKSLGTDLMNEMRRITSDFRIGFGSFVEKTVMPYISTTPAKLRNPCTSEQNCTSPFSYKNVLSLTDRGEFFNELVGQQRISGNLDSPEGGFDAIMQVAVCGSLIGWRNVTRLLVFSTDAGFHFAGDGKLGGIVLPNDGQCHLENNVYTMSHYYDYPSIAHLVQKLSENNIQTIFAVTEEFQPVYKELKNLIPKSAVGTLSGNSSNVIQLIIDAYNSLSSEVILENSKLPDGVTINYKSYCKNGVNGTGENGRKCSNISIGDEVQFEISITANKCPNKESENQLKLNPLGFTEEVEVVLQFICKCNCQSHGIPASPKCHEGNGTFECGACRCNEGRVGRHCECSTDEVNSEDMDAYCRKENSSEICSNNGECVCGQCVCRKRENTNEIYSGKFCECDNFNCDRSNGLICGGNGVCRCRVCECYPNYTGSACDCSLDTVPCVATNGQICNGRGICECGACKCTDPKFQGPTCETCQTCLGVCAEHKECVQCRAFNKGEKKDTCAQECSHFNLTKVESREKLPQPVQVDPVTHCKEKDIDDCWFYFTYSVNSKGEAHVHVVETPDCPTGPDIIPIVAGVVAGIVLIGLALLLIWKLLMIIHDRREFAKFEKEKMNAKWDTGENPIYKSAVTTVVNPKYEGK 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 globular. Max 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 (00:30:43)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/131c8b00a0f304/tmp/folded.pdb (00:30:43)
[INFO] Main: Simulation completed successfully. (00:47:33)
|
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 | 1.0034 | |
| 2 | N | A | 0.3022 | |
| 3 | L | A | 1.9136 | |
| 4 | Q | A | 1.2917 | |
| 5 | L | A | 2.7274 | |
| 6 | V | A | 3.6104 | |
| 7 | F | A | 3.9587 | |
| 8 | W | A | 4.1374 | |
| 9 | I | A | 4.2183 | |
| 10 | G | A | 3.0761 | |
| 11 | L | A | 3.3685 | |
| 12 | I | A | 3.5678 | |
| 13 | S | A | 2.7797 | |
| 14 | L | A | 3.5866 | |
| 15 | I | A | 3.5136 | |
| 16 | C | A | 2.7363 | |
| 17 | S | A | 2.1361 | |
| 18 | V | A | 3.1856 | |
| 19 | F | A | 2.8082 | |
| 20 | G | A | 0.4243 | |
| 21 | Q | A | -1.2465 | |
| 22 | T | A | -1.8669 | |
| 23 | D | A | -3.5476 | |
| 24 | K | A | -3.6241 | |
| 25 | N | A | -3.3489 | |
| 26 | R | A | -3.4330 | |
| 27 | C | A | 0.0000 | |
| 28 | L | A | -1.7169 | |
| 29 | K | A | -3.0836 | |
| 30 | A | A | -2.0853 | |
| 31 | N | A | -2.2324 | |
| 32 | A | A | 0.0000 | |
| 33 | K | A | -2.6281 | |
| 34 | S | A | -1.9766 | |
| 35 | C | A | 0.0000 | |
| 36 | G | A | -1.8131 | |
| 37 | E | A | -2.2583 | |
| 38 | C | A | 0.0000 | |
| 39 | I | A | 0.0000 | |
| 40 | Q | A | -1.5027 | |
| 41 | A | A | -1.6014 | |
| 42 | G | A | 0.0000 | |
| 43 | P | A | -1.1084 | |
| 44 | N | A | -1.6698 | |
| 45 | C | A | 0.0000 | |
| 46 | G | A | 0.0000 | |
| 47 | W | A | 0.0000 | |
| 48 | C | A | 0.0000 | |
| 49 | T | A | -0.5232 | |
| 50 | N | A | -0.7878 | |
| 51 | T | A | -0.3136 | |
| 52 | T | A | -0.5357 | |
| 53 | F | A | -0.9070 | |
| 54 | L | A | -1.0089 | |
| 55 | Q | A | -2.1236 | |
| 56 | E | A | -2.7868 | |
| 57 | G | A | -1.7382 | |
| 58 | M | A | -1.1548 | |
| 59 | P | A | -0.9587 | |
| 60 | T | A | -0.9550 | |
| 61 | S | A | 0.0000 | |
| 62 | A | A | -0.5025 | |
| 63 | R | A | 0.0000 | |
| 64 | C | A | 0.0000 | |
| 65 | D | A | 0.0000 | |
| 66 | D | A | 0.0000 | |
| 67 | L | A | -1.7075 | |
| 68 | E | A | -3.0101 | |
| 69 | A | A | -2.4889 | |
| 70 | L | A | 0.0000 | |
| 71 | K | A | -3.5976 | |
| 72 | K | A | -3.7957 | |
| 73 | K | A | -3.4237 | |
| 74 | G | A | -2.5567 | |
| 75 | C | A | 0.0000 | |
| 76 | H | A | -2.1641 | |
| 77 | P | A | -1.4794 | |
| 78 | S | A | -0.9495 | |
| 79 | D | A | -1.2005 | |
| 80 | I | A | -0.8805 | |
| 81 | E | A | -1.0456 | |
| 82 | N | A | -1.5285 | |
| 83 | P | A | -1.8462 | |
| 84 | R | A | -2.3595 | |
| 85 | G | A | 0.0000 | |
| 86 | S | A | -1.5200 | |
| 87 | Q | A | -1.1412 | |
| 88 | T | A | -0.4187 | |
| 89 | I | A | -0.3529 | |
| 90 | K | A | -2.1837 | |
| 91 | K | A | -2.8327 | |
| 92 | N | A | -2.9005 | |
| 93 | K | A | -2.9977 | |
| 94 | N | A | -2.4974 | |
| 95 | V | A | -1.4801 | |
| 96 | T | A | -1.3652 | |
| 97 | N | A | -1.6991 | |
| 98 | R | A | -1.5912 | |
| 99 | S | A | -1.5893 | |
| 100 | K | A | -2.0419 | |
| 101 | G | A | -1.6264 | |
| 102 | M | A | -1.1328 | |
| 103 | A | A | -1.3248 | |
| 104 | E | A | -2.6565 | |
| 105 | K | A | -2.9703 | |
| 106 | L | A | -2.3768 | |
| 107 | R | A | -3.2596 | |
| 108 | P | A | -2.5463 | |
| 109 | E | A | -3.1100 | |
| 110 | D | A | -2.7464 | |
| 111 | I | A | 0.0000 | |
| 112 | T | A | 0.0000 | |
| 113 | Q | A | 0.0000 | |
| 114 | I | A | 0.0000 | |
| 115 | Q | A | -1.6908 | |
| 116 | P | A | 0.0000 | |
| 117 | Q | A | -2.0350 | |
| 118 | Q | A | -1.6967 | |
| 119 | L | A | 0.0000 | |
| 120 | L | A | -0.4862 | |
| 121 | L | A | 0.0000 | |
| 122 | K | A | -1.4572 | |
| 123 | L | A | 0.0000 | |
| 124 | R | A | 0.0000 | |
| 125 | S | A | 0.0000 | |
| 126 | G | A | -1.1269 | |
| 127 | E | A | -1.4091 | |
| 128 | P | A | -1.1668 | |
| 129 | Q | A | 0.0000 | |
| 130 | K | A | -1.9752 | |
| 131 | F | A | 0.0000 | |
| 132 | T | A | -0.7976 | |
| 133 | L | A | 0.0000 | |
| 134 | K | A | -1.0167 | |
| 135 | F | A | 0.0000 | |
| 136 | K | A | -1.1219 | |
| 137 | R | A | 0.0000 | |
| 138 | A | A | 0.0000 | |
| 139 | E | A | -0.9856 | |
| 140 | D | A | -1.3342 | |
| 141 | Y | A | -0.2165 | |
| 142 | P | A | 0.0000 | |
| 143 | I | A | 0.0000 | |
| 144 | D | A | 0.0000 | |
| 145 | L | A | 0.0000 | |
| 146 | Y | A | 0.0000 | |
| 147 | Y | A | 0.0000 | |
| 148 | L | A | 0.0000 | |
| 149 | M | A | 0.0000 | |
| 150 | D | A | 0.0000 | |
| 151 | L | A | 0.0000 | |
| 152 | S | A | 0.0000 | |
| 153 | Y | A | 0.1431 | |
| 154 | S | A | -0.5721 | |
| 155 | M | A | 0.0000 | |
| 156 | K | A | -2.5567 | |
| 157 | D | A | -3.2293 | |
| 158 | D | A | 0.0000 | |
| 159 | L | A | 0.0000 | |
| 160 | E | A | -3.4646 | |
| 161 | N | A | -2.5019 | |
| 162 | V | A | 0.0000 | |
| 163 | K | A | -1.8561 | |
| 164 | S | A | -1.8454 | |
| 165 | L | A | 0.0000 | |
| 166 | G | A | 0.0000 | |
| 167 | T | A | -2.0050 | |
| 168 | D | A | -2.7583 | |
| 169 | L | A | 0.0000 | |
| 170 | M | A | 0.0000 | |
| 171 | N | A | -3.4746 | |
| 172 | E | A | -3.4006 | |
| 173 | M | A | 0.0000 | |
| 174 | R | A | -3.8266 | |
| 175 | R | A | -3.2705 | |
| 176 | I | A | -1.8565 | |
| 177 | T | A | 0.0000 | |
| 178 | S | A | -1.8240 | |
| 179 | D | A | -1.6448 | |
| 180 | F | A | 0.0000 | |
| 181 | R | A | -1.8518 | |
| 182 | I | A | 0.0000 | |
| 183 | G | A | 0.0000 | |
| 184 | F | A | 0.0000 | |
| 185 | G | A | 0.0000 | |
| 186 | S | A | 0.0000 | |
| 187 | F | A | 0.0000 | |
| 188 | V | A | 0.0000 | |
| 189 | E | A | 0.0000 | |
| 190 | K | A | 0.0000 | |
| 191 | T | A | 0.0671 | |
| 192 | V | A | 0.5390 | |
| 193 | M | A | 1.3902 | |
| 194 | P | A | 0.8032 | |
| 195 | Y | A | 0.0000 | |
| 196 | I | A | 0.0000 | |
| 197 | S | A | 0.3284 | |
| 198 | T | A | -0.0955 | |
| 199 | T | A | -0.4867 | |
| 200 | P | A | -0.8302 | |
| 201 | A | A | -0.9710 | |
| 202 | K | A | -1.3548 | |
| 203 | L | A | -0.9913 | |
| 204 | R | A | -2.2200 | |
| 205 | N | A | -1.6937 | |
| 206 | P | A | -0.7747 | |
| 207 | C | A | -0.9077 | |
| 208 | T | A | -1.0945 | |
| 209 | S | A | -1.5174 | |
| 210 | E | A | -2.2972 | |
| 211 | Q | A | -1.7642 | |
| 212 | N | A | -2.3986 | |
| 213 | C | A | 0.0000 | |
| 214 | T | A | -1.3721 | |
| 215 | S | A | -1.1432 | |
| 216 | P | A | 0.0000 | |
| 217 | F | A | 0.0000 | |
| 218 | S | A | 0.0000 | |
| 219 | Y | A | 0.0000 | |
| 220 | K | A | -0.8298 | |
| 221 | N | A | 0.0000 | |
| 222 | V | A | 0.0037 | |
| 223 | L | A | 0.0000 | |
| 224 | S | A | -0.0778 | |
| 225 | L | A | 0.0000 | |
| 226 | T | A | -1.4504 | |
| 227 | D | A | -2.6437 | |
| 228 | R | A | -2.1974 | |
| 229 | G | A | 0.0000 | |
| 230 | E | A | -2.4038 | |
| 231 | F | A | -1.0312 | |
| 232 | F | A | 0.0000 | |
| 233 | N | A | -2.0770 | |
| 234 | E | A | -2.3942 | |
| 235 | L | A | -1.0879 | |
| 236 | V | A | 0.0000 | |
| 237 | G | A | -2.1946 | |
| 238 | Q | A | -2.2644 | |
| 239 | Q | A | -2.1058 | |
| 240 | R | A | -2.7455 | |
| 241 | I | A | 0.0000 | |
| 242 | S | A | 0.0000 | |
| 243 | G | A | 0.0000 | |
| 244 | N | A | 0.0757 | |
| 245 | L | A | 0.5561 | |
| 246 | D | A | -1.3150 | |
| 247 | S | A | -0.9126 | |
| 248 | P | A | -0.4048 | |
| 249 | E | A | 0.0000 | |
| 250 | G | A | 0.0000 | |
| 251 | G | A | 0.0000 | |
| 252 | F | A | 0.0000 | |
| 253 | D | A | 0.0000 | |
| 254 | A | A | 0.0000 | |
| 255 | I | A | 0.0000 | |
| 256 | M | A | 0.0000 | |
| 257 | Q | A | 0.0000 | |
| 258 | V | A | 0.0000 | |
| 259 | A | A | 0.0000 | |
| 260 | V | A | -0.2561 | |
| 261 | C | A | 0.0000 | |
| 262 | G | A | -0.0489 | |
| 263 | S | A | -0.0378 | |
| 264 | L | A | 0.0133 | |
| 265 | I | A | 0.0000 | |
| 266 | G | A | -0.3646 | |
| 267 | W | A | 0.0000 | |
| 268 | R | A | -1.0775 | |
| 269 | N | A | -1.8348 | |
| 270 | V | A | 0.0000 | |
| 271 | T | A | 0.0000 | |
| 272 | R | A | -0.5899 | |
| 273 | L | A | 0.0000 | |
| 274 | L | A | 0.0000 | |
| 275 | V | A | 0.0000 | |
| 276 | F | A | 0.0000 | |
| 277 | S | A | 0.0000 | |
| 278 | T | A | 0.0000 | |
| 279 | D | A | -1.1488 | |
| 280 | A | A | -0.3820 | |
| 281 | G | A | 0.0968 | |
| 282 | F | A | 0.5731 | |
| 283 | H | A | 0.0000 | |
| 284 | F | A | 1.2649 | |
| 285 | A | A | 0.4436 | |
| 286 | G | A | -0.0466 | |
| 287 | D | A | -0.1834 | |
| 288 | G | A | 0.0000 | |
| 289 | K | A | -0.7414 | |
| 290 | L | A | 0.7745 | |
| 291 | G | A | 0.2404 | |
| 292 | G | A | -0.0127 | |
| 293 | I | A | 0.0000 | |
| 294 | V | A | 1.5295 | |
| 295 | L | A | 1.1197 | |
| 296 | P | A | 0.4562 | |
| 297 | N | A | 0.0000 | |
| 298 | D | A | -0.9073 | |
| 299 | G | A | 0.0000 | |
| 300 | Q | A | -1.1518 | |
| 301 | C | A | -0.3700 | |
| 302 | H | A | -0.7027 | |
| 303 | L | A | -1.0259 | |
| 304 | E | A | -2.2897 | |
| 305 | N | A | -2.1333 | |
| 306 | N | A | -1.3344 | |
| 307 | V | A | -0.8128 | |
| 308 | Y | A | 0.0000 | |
| 309 | T | A | -0.4724 | |
| 310 | M | A | 0.1764 | |
| 311 | S | A | 0.0000 | |
| 312 | H | A | -0.1463 | |
| 313 | Y | A | 1.0833 | |
| 314 | Y | A | 0.6147 | |
| 315 | D | A | 0.0000 | |
| 316 | Y | A | 0.0000 | |
| 317 | P | A | 0.0000 | |
| 318 | S | A | 0.3813 | |
| 319 | I | A | 0.7484 | |
| 320 | A | A | 0.0998 | |
| 321 | H | A | -0.4589 | |
| 322 | L | A | 0.0000 | |
| 323 | V | A | -0.3909 | |
| 324 | Q | A | -1.6080 | |
| 325 | K | A | -1.5652 | |
| 326 | L | A | 0.0000 | |
| 327 | S | A | -1.5304 | |
| 328 | E | A | -2.3637 | |
| 329 | N | A | -1.6187 | |
| 330 | N | A | -1.3471 | |
| 331 | I | A | 0.0000 | |
| 332 | Q | A | 0.0000 | |
| 333 | T | A | 0.0000 | |
| 334 | I | A | 0.0000 | |
| 335 | F | A | 0.0000 | |
| 336 | A | A | 0.0000 | |
| 337 | V | A | 0.0000 | |
| 338 | T | A | -1.7999 | |
| 339 | E | A | -2.8604 | |
| 340 | E | A | -2.5473 | |
| 341 | F | A | -1.1483 | |
| 342 | Q | A | -1.6352 | |
| 343 | P | A | -1.3434 | |
| 344 | V | A | -0.3447 | |
| 345 | Y | A | 0.0000 | |
| 346 | K | A | -2.5795 | |
| 347 | E | A | -2.7788 | |
| 348 | L | A | 0.0000 | |
| 349 | K | A | -2.2347 | |
| 350 | N | A | -2.3286 | |
| 351 | L | A | -0.5682 | |
| 352 | I | A | 0.0000 | |
| 353 | P | A | -0.4145 | |
| 354 | K | A | 0.0000 | |
| 355 | S | A | 0.0000 | |
| 356 | A | A | 0.0000 | |
| 357 | V | A | -0.5939 | |
| 358 | G | A | -0.8485 | |
| 359 | T | A | -0.9332 | |
| 360 | L | A | 0.0000 | |
| 361 | S | A | -1.1562 | |
| 362 | G | A | -1.6488 | |
| 363 | N | A | -2.2955 | |
| 364 | S | A | 0.0000 | |
| 365 | S | A | -1.2908 | |
| 366 | N | A | -1.2330 | |
| 367 | V | A | 0.0000 | |
| 368 | I | A | -1.1617 | |
| 369 | Q | A | -1.7715 | |
| 370 | L | A | 0.0000 | |
| 371 | I | A | 0.0000 | |
| 372 | I | A | -1.3213 | |
| 373 | D | A | -2.2433 | |
| 374 | A | A | 0.0000 | |
| 375 | Y | A | 0.0000 | |
| 376 | N | A | -1.7762 | |
| 377 | S | A | -1.4387 | |
| 378 | L | A | 0.0000 | |
| 379 | S | A | 0.0000 | |
| 380 | S | A | -1.0519 | |
| 381 | E | A | -1.0684 | |
| 382 | V | A | 0.0000 | |
| 383 | I | A | -0.6516 | |
| 384 | L | A | 0.0000 | |
| 385 | E | A | -1.4893 | |
| 386 | N | A | -1.5044 | |
| 387 | S | A | -1.5207 | |
| 388 | K | A | -2.3699 | |
| 389 | L | A | -1.5635 | |
| 390 | P | A | 0.0000 | |
| 391 | D | A | -3.0148 | |
| 392 | G | A | -1.7420 | |
| 393 | V | A | 0.0000 | |
| 394 | T | A | -0.6861 | |
| 395 | I | A | -0.5864 | |
| 396 | N | A | -1.9648 | |
| 397 | Y | A | 0.0000 | |
| 398 | K | A | -2.1547 | |
| 399 | S | A | 0.0000 | |
| 400 | Y | A | -0.6999 | |
| 401 | C | A | -1.0234 | |
| 402 | K | A | -1.8446 | |
| 403 | N | A | -1.6566 | |
| 404 | G | A | -0.7598 | |
| 405 | V | A | 0.3683 | |
| 406 | N | A | -1.1722 | |
| 407 | G | A | -1.5576 | |
| 408 | T | A | -2.0850 | |
| 409 | G | A | -2.3495 | |
| 410 | E | A | -3.1409 | |
| 411 | N | A | -2.9758 | |
| 412 | G | A | 0.0000 | |
| 413 | R | A | -2.1543 | |
| 414 | K | A | -1.9645 | |
| 415 | C | A | 0.0000 | |
| 416 | S | A | -1.0876 | |
| 417 | N | A | -1.9873 | |
| 418 | I | A | 0.0000 | |
| 419 | S | A | -0.8409 | |
| 420 | I | A | 0.0552 | |
| 421 | G | A | -0.7125 | |
| 422 | D | A | -1.0019 | |
| 423 | E | A | -1.2776 | |
| 424 | V | A | 0.0000 | |
| 425 | Q | A | -1.1853 | |
| 426 | F | A | 0.0000 | |
| 427 | E | A | -1.3162 | |
| 428 | I | A | 0.0000 | |
| 429 | S | A | -1.3386 | |
| 430 | I | A | 0.0000 | |
| 431 | T | A | -1.0987 | |
| 432 | A | A | 0.0000 | |
| 433 | N | A | -2.1637 | |
| 434 | K | A | -2.0860 | |
| 435 | C | A | -1.6790 | |
| 436 | P | A | -2.4615 | |
| 437 | N | A | -3.2744 | |
| 438 | K | A | -3.5080 | |
| 439 | E | A | -3.7419 | |
| 440 | S | A | -3.2748 | |
| 441 | E | A | -3.4880 | |
| 442 | N | A | -2.3031 | |
| 443 | Q | A | -1.6799 | |
| 444 | L | A | 0.0000 | |
| 445 | K | A | -1.9213 | |
| 446 | L | A | 0.0000 | |
| 447 | N | A | -1.3156 | |
| 448 | P | A | 0.0000 | |
| 449 | L | A | 0.0000 | |
| 450 | G | A | 0.0000 | |
| 451 | F | A | 0.0000 | |
| 452 | T | A | -1.1178 | |
| 453 | E | A | -1.3780 | |
| 454 | E | A | -1.7703 | |
| 455 | V | A | 0.0000 | |
| 456 | E | A | -1.4413 | |
| 457 | V | A | 0.0000 | |
| 458 | V | A | -0.8805 | |
| 459 | L | A | 0.0000 | |
| 460 | Q | A | -0.7883 | |
| 461 | F | A | -0.5908 | |
| 462 | I | A | 0.0000 | |
| 463 | C | A | -1.1200 | |
| 464 | K | A | -2.1653 | |
| 465 | C | A | 0.0000 | |
| 466 | N | A | -2.0228 | |
| 467 | C | A | -1.3129 | |
| 468 | Q | A | -1.1605 | |
| 469 | S | A | -1.2081 | |
| 470 | H | A | -1.0643 | |
| 471 | G | A | -0.3666 | |
| 472 | I | A | 0.5994 | |
| 473 | P | A | -0.1451 | |
| 474 | A | A | -0.9814 | |
| 475 | S | A | 0.0000 | |
| 476 | P | A | -2.0824 | |
| 477 | K | A | -2.4676 | |
| 478 | C | A | 0.0000 | |
| 479 | H | A | -2.6813 | |
| 480 | E | A | -2.9443 | |
| 481 | G | A | -1.8891 | |
| 482 | N | A | -2.3124 | |
| 483 | G | A | 0.0000 | |
| 484 | T | A | -0.7684 | |
| 485 | F | A | -0.4864 | |
| 486 | E | A | 0.0000 | |
| 487 | C | A | 0.0000 | |
| 488 | G | A | -0.3855 | |
| 489 | A | A | 0.0000 | |
| 490 | C | A | 0.0000 | |
| 491 | R | A | -2.4832 | |
| 492 | C | A | -2.2153 | |
| 493 | N | A | -2.5846 | |
| 494 | E | A | -2.6771 | |
| 495 | G | A | -1.9663 | |
| 496 | R | A | -1.8065 | |
| 497 | V | A | -0.5113 | |
| 498 | G | A | -0.7330 | |
| 499 | R | A | -1.6907 | |
| 500 | H | A | -2.0428 | |
| 501 | C | A | 0.0000 | |
| 502 | E | A | -1.3684 | |
| 503 | C | A | 0.0000 | |
| 504 | S | A | -1.4994 | |
| 505 | T | A | -1.6464 | |
| 506 | D | A | -2.7446 | |
| 507 | E | A | -2.6728 | |
| 508 | V | A | -1.8751 | |
| 509 | N | A | -2.7130 | |
| 510 | S | A | -2.2710 | |
| 511 | E | A | -3.0293 | |
| 512 | D | A | -2.7240 | |
| 513 | M | A | -1.2934 | |
| 514 | D | A | -1.8629 | |
| 515 | A | A | -1.2799 | |
| 516 | Y | A | 0.2403 | |
| 517 | C | A | 0.0000 | |
| 518 | R | A | -2.1748 | |
| 519 | K | A | -2.4303 | |
| 520 | E | A | -2.9709 | |
| 521 | N | A | -2.7708 | |
| 522 | S | A | -2.0781 | |
| 523 | S | A | -1.6713 | |
| 524 | E | A | -2.0028 | |
| 525 | I | A | -1.2573 | |
| 526 | C | A | 0.0000 | |
| 527 | S | A | -1.6803 | |
| 528 | N | A | -2.2017 | |
| 529 | N | A | -1.6504 | |
| 530 | G | A | -1.9888 | |
| 531 | E | A | -2.1594 | |
| 532 | C | A | -0.7155 | |
| 533 | V | A | -0.1835 | |
| 534 | C | A | -0.2456 | |
| 535 | G | A | -0.4061 | |
| 536 | Q | A | -1.1559 | |
| 537 | C | A | 0.0000 | |
| 538 | V | A | -1.1652 | |
| 539 | C | A | -1.3554 | |
| 540 | R | A | -2.1790 | |
| 541 | K | A | -2.3018 | |
| 542 | R | A | -2.6431 | |
| 543 | E | A | -3.0093 | |
| 544 | N | A | -2.2799 | |
| 545 | T | A | -2.0507 | |
| 546 | N | A | -1.7724 | |
| 547 | E | A | -1.2832 | |
| 548 | I | A | 0.1378 | |
| 549 | Y | A | 0.0176 | |
| 550 | S | A | -0.7344 | |
| 551 | G | A | -1.2491 | |
| 552 | K | A | -2.3674 | |
| 553 | F | A | -1.5093 | |
| 554 | C | A | 0.0000 | |
| 555 | E | A | -0.8584 | |
| 556 | C | A | -0.4116 | |
| 557 | D | A | 0.0000 | |
| 558 | N | A | -0.6250 | |
| 559 | F | A | 0.0000 | |
| 560 | N | A | -2.0789 | |
| 561 | C | A | 0.0000 | |
| 562 | D | A | -2.5738 | |
| 563 | R | A | -2.9449 | |
| 564 | S | A | -2.1740 | |
| 565 | N | A | -1.8538 | |
| 566 | G | A | -1.2509 | |
| 567 | L | A | -0.4991 | |
| 568 | I | A | -0.5226 | |
| 569 | C | A | 0.0000 | |
| 570 | G | A | -1.4255 | |
| 571 | G | A | -0.5723 | |
| 572 | N | A | -0.5062 | |
| 573 | G | A | -0.1041 | |
| 574 | V | A | 0.0130 | |
| 575 | C | A | 0.0000 | |
| 576 | R | A | -1.5155 | |
| 577 | C | A | -0.5784 | |
| 578 | R | A | -1.4580 | |
| 579 | V | A | 0.0273 | |
| 580 | C | A | -0.9106 | |
| 581 | E | A | -1.3027 | |
| 582 | C | A | -0.4132 | |
| 583 | Y | A | 0.2776 | |
| 584 | P | A | -0.2678 | |
| 585 | N | A | -0.5221 | |
| 586 | Y | A | -0.2395 | |
| 587 | T | A | -0.3631 | |
| 588 | G | A | -1.0396 | |
| 589 | S | A | -1.2376 | |
| 590 | A | A | 0.0000 | |
| 591 | C | A | 0.0000 | |
| 592 | D | A | -2.1194 | |
| 593 | C | A | -0.7345 | |
| 594 | S | A | -0.3117 | |
| 595 | L | A | 0.6780 | |
| 596 | D | A | -0.0362 | |
| 597 | T | A | 1.0973 | |
| 598 | V | A | 1.9429 | |
| 599 | P | A | 0.8236 | |
| 600 | C | A | 0.0000 | |
| 601 | V | A | 0.9846 | |
| 602 | A | A | 0.0000 | |
| 603 | T | A | -0.9777 | |
| 604 | N | A | -1.6797 | |
| 605 | G | A | -1.2079 | |
| 606 | Q | A | -1.3408 | |
| 607 | I | A | 0.4942 | |
| 608 | C | A | 0.0000 | |
| 609 | N | A | -1.3696 | |
| 610 | G | A | -1.2132 | |
| 611 | R | A | -1.6867 | |
| 612 | G | A | -0.8308 | |
| 613 | I | A | 0.9636 | |
| 614 | C | A | 0.5731 | |
| 615 | E | A | -0.8013 | |
| 616 | C | A | -0.2037 | |
| 617 | G | A | 0.3410 | |
| 618 | A | A | 0.0185 | |
| 619 | C | A | -0.5907 | |
| 620 | K | A | -1.5879 | |
| 621 | C | A | -1.5203 | |
| 622 | T | A | -0.9278 | |
| 623 | D | A | -1.4500 | |
| 624 | P | A | -1.6684 | |
| 625 | K | A | -2.0797 | |
| 626 | F | A | -2.1644 | |
| 627 | Q | A | -2.5732 | |
| 628 | G | A | -1.4783 | |
| 629 | P | A | -1.0457 | |
| 630 | T | A | -1.0121 | |
| 631 | C | A | 0.0000 | |
| 632 | E | A | -2.5107 | |
| 633 | T | A | -1.7205 | |
| 634 | C | A | -1.1336 | |
| 635 | Q | A | -1.1271 | |
| 636 | T | A | 0.0140 | |
| 637 | C | A | 1.0310 | |
| 638 | L | A | 1.5134 | |
| 639 | G | A | 0.4844 | |
| 640 | V | A | 0.1729 | |
| 641 | C | A | -0.5828 | |
| 642 | A | A | -0.9350 | |
| 643 | E | A | -1.7783 | |
| 644 | H | A | -1.2065 | |
| 645 | K | A | -1.6035 | |
| 646 | E | A | -2.0986 | |
| 647 | C | A | 0.0000 | |
| 648 | V | A | 0.0000 | |
| 649 | Q | A | 0.0000 | |
| 650 | C | A | 0.0000 | |
| 651 | R | A | -1.6607 | |
| 652 | A | A | 0.0000 | |
| 653 | F | A | -1.1733 | |
| 654 | N | A | -2.4552 | |
| 655 | K | A | -2.1434 | |
| 656 | G | A | -2.2311 | |
| 657 | E | A | -2.9624 | |
| 658 | K | A | -3.3975 | |
| 659 | K | A | -3.9255 | |
| 660 | D | A | -3.5154 | |
| 661 | T | A | -2.3762 | |
| 662 | C | A | -2.6063 | |
| 663 | A | A | -1.5715 | |
| 664 | Q | A | -2.1333 | |
| 665 | E | A | -2.1624 | |
| 666 | C | A | 0.0000 | |
| 667 | S | A | -1.5407 | |
| 668 | H | A | -1.7971 | |
| 669 | F | A | 0.0000 | |
| 670 | N | A | -1.6995 | |
| 671 | L | A | -1.0340 | |
| 672 | T | A | -1.2413 | |
| 673 | K | A | -2.5619 | |
| 674 | V | A | -3.0213 | |
| 675 | E | A | -3.6896 | |
| 676 | S | A | -3.4676 | |
| 677 | R | A | -3.8985 | |
| 678 | E | A | -3.9464 | |
| 679 | K | A | -3.9001 | |
| 680 | L | A | 0.0000 | |
| 681 | P | A | -1.5185 | |
| 682 | Q | A | -1.4574 | |
| 683 | P | A | -0.0015 | |
| 684 | V | A | 1.3874 | |
| 685 | Q | A | 0.6762 | |
| 686 | V | A | 1.6547 | |
| 687 | D | A | 0.6899 | |
| 688 | P | A | 0.1754 | |
| 689 | V | A | 0.0097 | |
| 690 | T | A | -0.4340 | |
| 691 | H | A | -1.2511 | |
| 692 | C | A | 0.0000 | |
| 693 | K | A | -1.7233 | |
| 694 | E | A | -1.7559 | |
| 695 | K | A | -1.9835 | |
| 696 | D | A | -1.1184 | |
| 697 | I | A | 0.0074 | |
| 698 | D | A | -1.8171 | |
| 699 | D | A | -2.4480 | |
| 700 | C | A | 0.0000 | |
| 701 | W | A | -1.3886 | |
| 702 | F | A | 0.0000 | |
| 703 | Y | A | 0.0000 | |
| 704 | F | A | 0.0000 | |
| 705 | T | A | 0.0000 | |
| 706 | Y | A | 0.0382 | |
| 707 | S | A | 0.0000 | |
| 708 | V | A | -0.0172 | |
| 709 | N | A | -0.7007 | |
| 710 | S | A | -1.0492 | |
| 711 | K | A | -2.1664 | |
| 712 | G | A | -1.5300 | |
| 713 | E | A | -1.7232 | |
| 714 | A | A | -0.9613 | |
| 715 | H | A | -0.8030 | |
| 716 | V | A | 0.0000 | |
| 717 | H | A | -1.4323 | |
| 718 | V | A | 0.0000 | |
| 719 | V | A | 0.0000 | |
| 720 | E | A | -3.2546 | |
| 721 | T | A | -1.9721 | |
| 722 | P | A | -1.8272 | |
| 723 | D | A | -1.9655 | |
| 724 | C | A | -1.0343 | |
| 725 | P | A | -0.7036 | |
| 726 | T | A | -0.7825 | |
| 727 | G | A | -0.8591 | |
| 728 | P | A | -0.6950 | |
| 729 | D | A | -0.2408 | |
| 730 | I | A | 2.9015 | |
| 731 | I | A | 3.4228 | |
| 732 | P | A | 2.4977 | |
| 733 | I | A | 4.1006 | |
| 734 | V | A | 4.4621 | |
| 735 | A | A | 2.9810 | |
| 736 | G | A | 2.4968 | |
| 737 | V | A | 3.9905 | |
| 738 | V | A | 4.3210 | |
| 739 | A | A | 3.2503 | |
| 740 | G | A | 3.3102 | |
| 741 | I | A | 4.8709 | |
| 742 | V | A | 4.8311 | |
| 743 | L | A | 4.5149 | |
| 744 | I | A | 4.3980 | |
| 745 | G | A | 3.3151 | |
| 746 | L | A | 4.0234 | |
| 747 | A | A | 3.4243 | |
| 748 | L | A | 3.3866 | |
| 749 | L | A | 3.4171 | |
| 750 | L | A | 3.5568 | |
| 751 | I | A | 3.6899 | |
| 752 | W | A | 3.5486 | |
| 753 | K | A | 2.4164 | |
| 754 | L | A | 3.5939 | |
| 755 | L | A | 2.7672 | |
| 756 | M | A | 1.8357 | |
| 757 | I | A | 1.1614 | |
| 758 | I | A | 0.3736 | |
| 759 | H | A | -1.6438 | |
| 760 | D | A | -2.8409 | |
| 761 | R | A | -2.8708 | |
| 762 | R | A | -3.6692 | |
| 763 | E | A | -3.4269 | |
| 764 | F | A | -1.4013 | |
| 765 | A | A | -2.6964 | |
| 766 | K | A | -3.4016 | |
| 767 | F | A | -1.4545 | |
| 768 | E | A | -2.8919 | |
| 769 | K | A | -3.7686 | |
| 770 | E | A | -3.8033 | |
| 771 | K | A | -3.5255 | |
| 772 | M | A | -2.5301 | |
| 773 | N | A | -2.9918 | |
| 774 | A | A | -2.4551 | |
| 775 | K | A | -2.4886 | |
| 776 | W | A | -1.2416 | |
| 777 | D | A | -2.2220 | |
| 778 | T | A | -1.5417 | |
| 779 | G | A | -1.8204 | |
| 780 | E | A | -1.9965 | |
| 781 | N | A | -0.5064 | |
| 782 | P | A | 0.2178 | |
| 783 | I | A | 1.7438 | |
| 784 | Y | A | 0.8758 | |
| 785 | K | A | -0.6547 | |
| 786 | S | A | -0.0382 | |
| 787 | A | A | 0.5142 | |
| 788 | V | A | 1.6321 | |
| 789 | T | A | 1.1935 | |
| 790 | T | A | 1.5989 | |
| 791 | V | A | 2.6445 | |
| 792 | V | A | 2.1307 | |
| 793 | N | A | 0.3995 | |
| 794 | P | A | -0.6289 | |
| 795 | K | A | -1.6624 | |
| 796 | Y | A | -0.7144 | |
| 797 | E | A | -2.2120 | |
| 798 | G | A | -2.0764 | |
| 799 | K | A | -2.1420 |
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 | -0.4808 | 8.2331 | View | CSV | PDB |
| 4.5 | -0.5538 | 8.2331 | View | CSV | PDB |
| 5.0 | -0.646 | 8.2331 | View | CSV | PDB |
| 5.5 | -0.7391 | 8.2331 | View | CSV | PDB |
| 6.0 | -0.8133 | 8.2331 | View | CSV | PDB |
| 6.5 | -0.8526 | 8.2331 | View | CSV | PDB |
| 7.0 | -0.8534 | 8.2331 | View | CSV | PDB |
| 7.5 | -0.8263 | 8.2331 | View | CSV | PDB |
| 8.0 | -0.7838 | 8.2331 | View | CSV | PDB |
| 8.5 | -0.7318 | 8.2331 | View | CSV | PDB |
| 9.0 | -0.6712 | 8.2331 | 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