| Chain sequence(s) | MESLLRFLALLLLRGAVAEGPAKKVLTLEGDLVLGGLFPVHQKGGPAEECGPVNEHRGIQRLEAMLFALDRINRDPHLLPGVRLGAHILDSCSKDTHALEQALDFVRASLSRGADGSRHICPDGSYATLSDAPTAITGVIGGSYSDVSIQVANLLRLFQIPQISYASTSAKLSDKSRYDYFARTVPPDFFQAKAMAEILRFFNWTYVSTVASEGDYGETGIEAFELEARARNICVATSEKVGRAMSRAAFEGVVRALLQKPSARVAVLFTRSEDARELLAATQRLNASFTWVASDGWGALESVVAGSERAAEGAITIELASYPISDFASYFQNLDPWNNSRNPWFREFWEERFRCSFRQRDCAAHSLRAVPFEQESKIMFVVNAVYAMAHALHNMHRALCPNTTRLCDAMRPVNGRRLYKDFVLNVKFDAPFRPADTDDEVRFDRFGDGIGRYNIFTYLRAGNGRYRYQKVGYWAEGLTLDTSIIPWASPSAGTLPASRCSEPCLQNEVKSVQPGEVCCWLCIPCQPYEYRLDEFTCADCGLGYWPNASLTGCFELPQEYIRWGDAWAVGPVTIACLGALATLFVLGVFVRHNATPVVKASGRELCYILLGGVFLCYCMTFIFIAKPSTAVCTLRRLGLGTAFSVCYSALLTKTNRIARIFGGAREGAQRPRFISPASQVAICLALISGQLLIVAAWLVVEAPGIGKETAPERREVVTLRCNHRDASMLGSLAYNVLLIALCTLYAFKTRKCPENFNEAKFIGFTMYTTCIIWLAFLPIFYVTSSDYRVQTTTMCVSVSLSGSVVLGCLFAPKLHIILFQPQKNVVSHRAPTSRFGSAAPRASANLGQGSGSQLVPTVCNGREVVDSTTSSL 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] (00:00:01)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:01)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with A chain(s) selected (00:00:01)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:01)
[INFO] PDB-Info: The input structure is globular. Max score is recommended for pH analysis. (00:00:11)
[INFO] FoldX: Starting FoldX energy minimization (00:00:12)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:41:04)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/3bf6de9b88243a/tmp/folded.pdb (00:41:04)
[INFO] Main: Simulation completed successfully. (00:53:12)
|
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 | 0.5712 | |
| 2 | E | A | -0.7379 | |
| 3 | S | A | 0.1719 | |
| 4 | L | A | 1.9072 | |
| 5 | L | A | 1.7374 | |
| 6 | R | A | 0.6435 | |
| 7 | F | A | 3.1271 | |
| 8 | L | A | 2.9936 | |
| 9 | A | A | 2.6163 | |
| 10 | L | A | 3.2085 | |
| 11 | L | A | 2.7733 | |
| 12 | L | A | 2.7682 | |
| 13 | L | A | 2.4359 | |
| 14 | R | A | 0.3640 | |
| 15 | G | A | 0.6187 | |
| 16 | A | A | 0.3342 | |
| 17 | V | A | 0.7820 | |
| 18 | A | A | -0.3463 | |
| 19 | E | A | -1.6138 | |
| 20 | G | A | -1.2985 | |
| 21 | P | A | -1.5482 | |
| 22 | A | A | -1.7312 | |
| 23 | K | A | -2.6711 | |
| 24 | K | A | -2.3035 | |
| 25 | V | A | -0.8855 | |
| 26 | L | A | 0.0000 | |
| 27 | T | A | -0.5685 | |
| 28 | L | A | -0.7462 | |
| 29 | E | A | -2.1248 | |
| 30 | G | A | -1.8787 | |
| 31 | D | A | -1.9330 | |
| 32 | L | A | 0.0000 | |
| 33 | V | A | 0.0000 | |
| 34 | L | A | 0.0000 | |
| 35 | G | A | 0.0000 | |
| 36 | G | A | 0.0000 | |
| 37 | L | A | 0.0000 | |
| 38 | F | A | 0.0000 | |
| 39 | P | A | 0.0000 | |
| 40 | V | A | 0.0000 | |
| 41 | H | A | -0.8108 | |
| 42 | Q | A | -1.0652 | |
| 43 | K | A | -1.6721 | |
| 44 | G | A | -1.9210 | |
| 45 | G | A | -1.5456 | |
| 46 | P | A | -1.2204 | |
| 47 | A | A | -1.3992 | |
| 48 | E | A | -2.8789 | |
| 49 | E | A | -2.9521 | |
| 50 | C | A | -1.7655 | |
| 51 | G | A | -1.3145 | |
| 52 | P | A | -0.7450 | |
| 53 | V | A | 0.0000 | |
| 54 | N | A | -0.9119 | |
| 55 | E | A | -1.2242 | |
| 56 | H | A | -0.9708 | |
| 57 | R | A | -0.6039 | |
| 58 | G | A | 0.0000 | |
| 59 | I | A | 0.0000 | |
| 60 | Q | A | 0.0000 | |
| 61 | R | A | 0.0000 | |
| 62 | L | A | 0.0000 | |
| 63 | E | A | 0.0000 | |
| 64 | A | A | 0.0000 | |
| 65 | M | A | 0.0000 | |
| 66 | L | A | 0.0000 | |
| 67 | F | A | 0.0000 | |
| 68 | A | A | 0.0000 | |
| 69 | L | A | 0.0000 | |
| 70 | D | A | -1.6644 | |
| 71 | R | A | -1.7638 | |
| 72 | I | A | 0.0000 | |
| 73 | N | A | -2.8352 | |
| 74 | R | A | -3.1177 | |
| 75 | D | A | -2.0497 | |
| 76 | P | A | -1.5135 | |
| 77 | H | A | -1.5852 | |
| 78 | L | A | 0.0000 | |
| 79 | L | A | 0.0000 | |
| 80 | P | A | -1.7423 | |
| 81 | G | A | -2.0830 | |
| 82 | V | A | 0.0000 | |
| 83 | R | A | -3.1505 | |
| 84 | L | A | 0.0000 | |
| 85 | G | A | 0.0000 | |
| 86 | A | A | 0.0000 | |
| 87 | H | A | -0.3792 | |
| 88 | I | A | 0.0000 | |
| 89 | L | A | 0.0000 | |
| 90 | D | A | 0.0000 | |
| 91 | S | A | 0.0000 | |
| 92 | C | A | 0.0000 | |
| 93 | S | A | 0.0000 | |
| 94 | K | A | -1.0667 | |
| 95 | D | A | -1.0819 | |
| 96 | T | A | -1.1491 | |
| 97 | H | A | -1.4368 | |
| 98 | A | A | 0.0000 | |
| 99 | L | A | -1.0139 | |
| 100 | E | A | -1.8658 | |
| 101 | Q | A | -1.2166 | |
| 102 | A | A | 0.0000 | |
| 103 | L | A | -0.5981 | |
| 104 | D | A | -1.4172 | |
| 105 | F | A | 0.0000 | |
| 106 | V | A | 0.0000 | |
| 107 | R | A | -1.5452 | |
| 108 | A | A | 0.0000 | |
| 109 | S | A | -0.9793 | |
| 110 | L | A | -0.5664 | |
| 111 | S | A | -1.3459 | |
| 112 | R | A | -2.5799 | |
| 113 | G | A | -1.7679 | |
| 114 | A | A | -2.1169 | |
| 115 | D | A | -3.2884 | |
| 116 | G | A | -1.7176 | |
| 117 | S | A | -1.3628 | |
| 118 | R | A | -2.2427 | |
| 119 | H | A | -1.0211 | |
| 120 | I | A | 0.9516 | |
| 121 | C | A | 0.1742 | |
| 122 | P | A | -0.6526 | |
| 123 | D | A | -1.5643 | |
| 124 | G | A | -0.5820 | |
| 125 | S | A | 0.2140 | |
| 126 | Y | A | 1.1498 | |
| 127 | A | A | 0.7892 | |
| 128 | T | A | 0.7367 | |
| 129 | L | A | 0.9072 | |
| 130 | S | A | -0.3363 | |
| 131 | D | A | -1.3714 | |
| 132 | A | A | -0.8029 | |
| 133 | P | A | -0.9916 | |
| 134 | T | A | -0.9094 | |
| 135 | A | A | -0.7607 | |
| 136 | I | A | 0.0000 | |
| 137 | T | A | 0.0000 | |
| 138 | G | A | 0.0000 | |
| 139 | V | A | 0.0000 | |
| 140 | I | A | 0.0000 | |
| 141 | G | A | 0.0000 | |
| 142 | G | A | 0.0000 | |
| 143 | S | A | 0.0000 | |
| 144 | Y | A | -0.1064 | |
| 145 | S | A | 0.0000 | |
| 146 | D | A | -0.6462 | |
| 147 | V | A | 0.0000 | |
| 148 | S | A | 0.0000 | |
| 149 | I | A | -0.6715 | |
| 150 | Q | A | -1.0001 | |
| 151 | V | A | 0.0000 | |
| 152 | A | A | 0.0000 | |
| 153 | N | A | -1.1638 | |
| 154 | L | A | -0.2392 | |
| 155 | L | A | 0.0000 | |
| 156 | R | A | -0.9640 | |
| 157 | L | A | 0.9602 | |
| 158 | F | A | 0.2161 | |
| 159 | Q | A | -1.2017 | |
| 160 | I | A | 0.0000 | |
| 161 | P | A | 0.0000 | |
| 162 | Q | A | 0.0000 | |
| 163 | I | A | 0.0000 | |
| 164 | S | A | 0.0000 | |
| 165 | Y | A | 0.0000 | |
| 166 | A | A | 0.0158 | |
| 167 | S | A | 0.0000 | |
| 168 | T | A | 0.0000 | |
| 169 | S | A | 0.0000 | |
| 170 | A | A | -0.2330 | |
| 171 | K | A | -1.1740 | |
| 172 | L | A | 0.0000 | |
| 173 | S | A | -0.8445 | |
| 174 | D | A | -1.1881 | |
| 175 | K | A | -1.3046 | |
| 176 | S | A | -1.1250 | |
| 177 | R | A | -1.8698 | |
| 178 | Y | A | 0.0000 | |
| 179 | D | A | -1.6318 | |
| 180 | Y | A | -1.1051 | |
| 181 | F | A | 0.0000 | |
| 182 | A | A | 0.0000 | |
| 183 | R | A | 0.0000 | |
| 184 | T | A | 0.0000 | |
| 185 | V | A | 0.0000 | |
| 186 | P | A | 0.0000 | |
| 187 | P | A | 0.0000 | |
| 188 | D | A | 0.0000 | |
| 189 | F | A | 1.0323 | |
| 190 | F | A | 0.3430 | |
| 191 | Q | A | 0.0000 | |
| 192 | A | A | 0.0000 | |
| 193 | K | A | -0.2757 | |
| 194 | A | A | 0.0000 | |
| 195 | M | A | 0.0000 | |
| 196 | A | A | 0.0000 | |
| 197 | E | A | -0.5234 | |
| 198 | I | A | 0.0000 | |
| 199 | L | A | 0.0000 | |
| 200 | R | A | -1.0934 | |
| 201 | F | A | 0.5145 | |
| 202 | F | A | 0.0000 | |
| 203 | N | A | -1.3093 | |
| 204 | W | A | 0.0000 | |
| 205 | T | A | 0.0000 | |
| 206 | Y | A | -0.6633 | |
| 207 | V | A | 0.0000 | |
| 208 | S | A | 0.0000 | |
| 209 | T | A | 0.0000 | |
| 210 | V | A | 0.0000 | |
| 211 | A | A | 0.0000 | |
| 212 | S | A | 0.0000 | |
| 213 | E | A | -2.5722 | |
| 214 | G | A | -1.5161 | |
| 215 | D | A | -1.0761 | |
| 216 | Y | A | -0.7203 | |
| 217 | G | A | 0.0000 | |
| 218 | E | A | -1.8440 | |
| 219 | T | A | -1.2808 | |
| 220 | G | A | 0.0000 | |
| 221 | I | A | -0.8072 | |
| 222 | E | A | -1.6584 | |
| 223 | A | A | -0.3487 | |
| 224 | F | A | 0.0000 | |
| 225 | E | A | -1.1021 | |
| 226 | L | A | 0.1603 | |
| 227 | E | A | 0.0000 | |
| 228 | A | A | 0.0000 | |
| 229 | R | A | -1.7136 | |
| 230 | A | A | -0.8466 | |
| 231 | R | A | -1.3417 | |
| 232 | N | A | -1.5756 | |
| 233 | I | A | 0.0000 | |
| 234 | C | A | -0.5881 | |
| 235 | V | A | -0.0775 | |
| 236 | A | A | -0.3867 | |
| 237 | T | A | -0.2627 | |
| 238 | S | A | -0.6242 | |
| 239 | E | A | -1.2694 | |
| 240 | K | A | -2.0734 | |
| 241 | V | A | 0.0000 | |
| 242 | G | A | 0.0000 | |
| 243 | R | A | -1.3286 | |
| 244 | A | A | -0.6848 | |
| 245 | M | A | -0.4971 | |
| 246 | S | A | -1.1294 | |
| 247 | R | A | -2.0349 | |
| 248 | A | A | -0.9628 | |
| 249 | A | A | -0.8156 | |
| 250 | F | A | 0.0000 | |
| 251 | E | A | -1.4085 | |
| 252 | G | A | -0.9853 | |
| 253 | V | A | 0.0000 | |
| 254 | V | A | 0.0000 | |
| 255 | R | A | -1.4690 | |
| 256 | A | A | -1.0710 | |
| 257 | L | A | 0.0000 | |
| 258 | L | A | -0.8233 | |
| 259 | Q | A | -1.5708 | |
| 260 | K | A | -1.5606 | |
| 261 | P | A | -1.2036 | |
| 262 | S | A | -1.2972 | |
| 263 | A | A | 0.0000 | |
| 264 | R | A | -1.6396 | |
| 265 | V | A | 0.0000 | |
| 266 | A | A | 0.0000 | |
| 267 | V | A | 0.0000 | |
| 268 | L | A | 0.0000 | |
| 269 | F | A | 0.0000 | |
| 270 | T | A | 0.0000 | |
| 271 | R | A | -0.6967 | |
| 272 | S | A | 0.0000 | |
| 273 | E | A | -1.0023 | |
| 274 | D | A | 0.0000 | |
| 275 | A | A | 0.0000 | |
| 276 | R | A | -1.3588 | |
| 277 | E | A | -1.4226 | |
| 278 | L | A | 0.0000 | |
| 279 | L | A | 0.0000 | |
| 280 | A | A | -1.7372 | |
| 281 | A | A | 0.0000 | |
| 282 | T | A | 0.0000 | |
| 283 | Q | A | -2.3895 | |
| 284 | R | A | -2.3493 | |
| 285 | L | A | -1.5597 | |
| 286 | N | A | -2.1278 | |
| 287 | A | A | -1.2444 | |
| 288 | S | A | -1.0259 | |
| 289 | F | A | -0.4676 | |
| 290 | T | A | -0.5436 | |
| 291 | W | A | 0.0000 | |
| 292 | V | A | 0.0000 | |
| 293 | A | A | 0.0000 | |
| 294 | S | A | 0.0000 | |
| 295 | D | A | 0.0000 | |
| 296 | G | A | 0.0000 | |
| 297 | W | A | 0.0000 | |
| 298 | G | A | 0.0000 | |
| 299 | A | A | -0.3942 | |
| 300 | L | A | -0.6705 | |
| 301 | E | A | -1.4991 | |
| 302 | S | A | -0.7934 | |
| 303 | V | A | 0.0000 | |
| 304 | V | A | 0.0000 | |
| 305 | A | A | -0.9415 | |
| 306 | G | A | -1.1800 | |
| 307 | S | A | 0.0000 | |
| 308 | E | A | -2.5834 | |
| 309 | R | A | -3.0463 | |
| 310 | A | A | 0.0000 | |
| 311 | A | A | 0.0000 | |
| 312 | E | A | -2.4374 | |
| 313 | G | A | 0.0000 | |
| 314 | A | A | 0.0000 | |
| 315 | I | A | 0.0000 | |
| 316 | T | A | 0.0000 | |
| 317 | I | A | 0.0000 | |
| 318 | E | A | 0.0000 | |
| 319 | L | A | 0.0000 | |
| 320 | A | A | -0.2105 | |
| 321 | S | A | -0.3095 | |
| 322 | Y | A | -0.1741 | |
| 323 | P | A | -0.7356 | |
| 324 | I | A | 0.0000 | |
| 325 | S | A | -1.0287 | |
| 326 | D | A | -1.6007 | |
| 327 | F | A | 0.0000 | |
| 328 | A | A | -1.0781 | |
| 329 | S | A | -1.2574 | |
| 330 | Y | A | -0.7766 | |
| 331 | F | A | 0.0000 | |
| 332 | Q | A | -1.3840 | |
| 333 | N | A | -1.9022 | |
| 334 | L | A | 0.0000 | |
| 335 | D | A | -1.0422 | |
| 336 | P | A | 0.0000 | |
| 337 | W | A | 0.2088 | |
| 338 | N | A | -1.1568 | |
| 339 | N | A | 0.0000 | |
| 340 | S | A | -0.6494 | |
| 341 | R | A | -0.6120 | |
| 342 | N | A | 0.0000 | |
| 343 | P | A | -0.8581 | |
| 344 | W | A | 0.0000 | |
| 345 | F | A | 0.0000 | |
| 346 | R | A | -1.3240 | |
| 347 | E | A | -1.7789 | |
| 348 | F | A | 0.0000 | |
| 349 | W | A | 0.0000 | |
| 350 | E | A | -1.9695 | |
| 351 | E | A | -2.4806 | |
| 352 | R | A | -2.0191 | |
| 353 | F | A | -1.3656 | |
| 354 | R | A | -2.3433 | |
| 355 | C | A | -2.0369 | |
| 356 | S | A | -1.9383 | |
| 357 | F | A | -1.6602 | |
| 358 | R | A | -2.7036 | |
| 359 | Q | A | -3.0317 | |
| 360 | R | A | -3.1237 | |
| 361 | D | A | -2.3068 | |
| 362 | C | A | 0.0000 | |
| 363 | A | A | -1.0466 | |
| 364 | A | A | -0.8266 | |
| 365 | H | A | -0.8613 | |
| 366 | S | A | -1.1022 | |
| 367 | L | A | 0.0000 | |
| 368 | R | A | -2.0543 | |
| 369 | A | A | -0.7512 | |
| 370 | V | A | -0.4440 | |
| 371 | P | A | -0.6557 | |
| 372 | F | A | -0.8803 | |
| 373 | E | A | -1.8655 | |
| 374 | Q | A | -1.0618 | |
| 375 | E | A | 0.0000 | |
| 376 | S | A | -0.3807 | |
| 377 | K | A | 0.0000 | |
| 378 | I | A | 0.0000 | |
| 379 | M | A | 0.0000 | |
| 380 | F | A | 0.0000 | |
| 381 | V | A | 0.0000 | |
| 382 | V | A | 0.0000 | |
| 383 | N | A | 0.0000 | |
| 384 | A | A | 0.0000 | |
| 385 | V | A | 0.0000 | |
| 386 | Y | A | 0.0000 | |
| 387 | A | A | 0.0000 | |
| 388 | M | A | 0.0000 | |
| 389 | A | A | 0.0000 | |
| 390 | H | A | -0.7173 | |
| 391 | A | A | 0.0000 | |
| 392 | L | A | 0.0000 | |
| 393 | H | A | -1.0484 | |
| 394 | N | A | -1.4799 | |
| 395 | M | A | 0.0000 | |
| 396 | H | A | 0.0000 | |
| 397 | R | A | -2.2124 | |
| 398 | A | A | -0.8974 | |
| 399 | L | A | -0.7225 | |
| 400 | C | A | 0.0000 | |
| 401 | P | A | -1.3622 | |
| 402 | N | A | -1.8613 | |
| 403 | T | A | -1.5760 | |
| 404 | T | A | -1.6476 | |
| 405 | R | A | -2.5697 | |
| 406 | L | A | -1.7625 | |
| 407 | C | A | -1.7006 | |
| 408 | D | A | -2.5327 | |
| 409 | A | A | -1.4044 | |
| 410 | M | A | 0.0000 | |
| 411 | R | A | -2.7434 | |
| 412 | P | A | -1.8585 | |
| 413 | V | A | -1.7166 | |
| 414 | N | A | -2.3638 | |
| 415 | G | A | -2.2710 | |
| 416 | R | A | -3.3004 | |
| 417 | R | A | -3.0429 | |
| 418 | L | A | 0.0000 | |
| 419 | Y | A | 0.0000 | |
| 420 | K | A | -3.1214 | |
| 421 | D | A | -3.1233 | |
| 422 | F | A | -2.0747 | |
| 423 | V | A | 0.0000 | |
| 424 | L | A | -1.8816 | |
| 425 | N | A | -2.7658 | |
| 426 | V | A | 0.0000 | |
| 427 | K | A | -3.0335 | |
| 428 | F | A | -2.3563 | |
| 429 | D | A | -3.4282 | |
| 430 | A | A | 0.0000 | |
| 431 | P | A | -0.6897 | |
| 432 | F | A | -0.3559 | |
| 433 | R | A | -1.6319 | |
| 434 | P | A | -1.1804 | |
| 435 | A | A | -1.2946 | |
| 436 | D | A | -2.3645 | |
| 437 | T | A | -2.4584 | |
| 438 | D | A | -3.3291 | |
| 439 | D | A | -3.0834 | |
| 440 | E | A | -3.8033 | |
| 441 | V | A | 0.0000 | |
| 442 | R | A | -2.5856 | |
| 443 | F | A | 0.0000 | |
| 444 | D | A | -1.4915 | |
| 445 | R | A | -1.9862 | |
| 446 | F | A | -0.3423 | |
| 447 | G | A | 0.0000 | |
| 448 | D | A | 0.0000 | |
| 449 | G | A | 0.0000 | |
| 450 | I | A | -0.0697 | |
| 451 | G | A | -0.2237 | |
| 452 | R | A | -0.9827 | |
| 453 | Y | A | 0.0000 | |
| 454 | N | A | 0.0000 | |
| 455 | I | A | 0.0000 | |
| 456 | F | A | -0.2798 | |
| 457 | T | A | 0.0000 | |
| 458 | Y | A | 0.0000 | |
| 459 | L | A | -1.7913 | |
| 460 | R | A | -3.0892 | |
| 461 | A | A | -2.1447 | |
| 462 | G | A | -1.7667 | |
| 463 | N | A | -2.3334 | |
| 464 | G | A | -2.2389 | |
| 465 | R | A | -3.0581 | |
| 466 | Y | A | -2.8444 | |
| 467 | R | A | -2.3374 | |
| 468 | Y | A | -1.1437 | |
| 469 | Q | A | -0.7467 | |
| 470 | K | A | -1.0661 | |
| 471 | V | A | 0.0000 | |
| 472 | G | A | -0.1857 | |
| 473 | Y | A | -0.0909 | |
| 474 | W | A | 0.0000 | |
| 475 | A | A | -1.0038 | |
| 476 | E | A | -2.0180 | |
| 477 | G | A | -1.1512 | |
| 478 | L | A | 0.0256 | |
| 479 | T | A | -0.0618 | |
| 480 | L | A | -0.0949 | |
| 481 | D | A | -1.0500 | |
| 482 | T | A | -0.4386 | |
| 483 | S | A | -0.2484 | |
| 484 | I | A | 0.2732 | |
| 485 | I | A | 0.0000 | |
| 486 | P | A | -0.2178 | |
| 487 | W | A | 0.1190 | |
| 488 | A | A | -0.0888 | |
| 489 | S | A | -0.2685 | |
| 490 | P | A | -0.3872 | |
| 491 | S | A | -0.5053 | |
| 492 | A | A | -0.3285 | |
| 493 | G | A | -0.4943 | |
| 494 | T | A | -0.1132 | |
| 495 | L | A | 0.1348 | |
| 496 | P | A | -0.3733 | |
| 497 | A | A | -0.5916 | |
| 498 | S | A | 0.0000 | |
| 499 | R | A | -1.6452 | |
| 500 | C | A | -0.6221 | |
| 501 | S | A | -0.8070 | |
| 502 | E | A | -1.6465 | |
| 503 | P | A | -0.9896 | |
| 504 | C | A | -0.0577 | |
| 505 | L | A | 0.4240 | |
| 506 | Q | A | -0.9949 | |
| 507 | N | A | -0.7114 | |
| 508 | E | A | -0.1681 | |
| 509 | V | A | 0.0000 | |
| 510 | K | A | 0.7808 | |
| 511 | S | A | 0.9962 | |
| 512 | V | A | 0.9654 | |
| 513 | Q | A | -0.7338 | |
| 514 | P | A | -0.8088 | |
| 515 | G | A | -0.7421 | |
| 516 | E | A | -0.7924 | |
| 517 | V | A | 0.3943 | |
| 518 | C | A | 0.0000 | |
| 519 | C | A | 0.0000 | |
| 520 | W | A | 1.0563 | |
| 521 | L | A | 1.5335 | |
| 522 | C | A | 1.2865 | |
| 523 | I | A | 1.5549 | |
| 524 | P | A | -0.0435 | |
| 525 | C | A | 0.0000 | |
| 526 | Q | A | -1.3972 | |
| 527 | P | A | -1.2005 | |
| 528 | Y | A | -0.8277 | |
| 529 | E | A | -1.0856 | |
| 530 | Y | A | -0.6872 | |
| 531 | R | A | -0.6358 | |
| 532 | L | A | 0.6931 | |
| 533 | D | A | -0.5295 | |
| 534 | E | A | -0.8904 | |
| 535 | F | A | 1.2601 | |
| 536 | T | A | 0.6103 | |
| 537 | C | A | -0.1224 | |
| 538 | A | A | -0.7332 | |
| 539 | D | A | -1.5416 | |
| 540 | C | A | -0.2944 | |
| 541 | G | A | 0.1061 | |
| 542 | L | A | 0.3973 | |
| 543 | G | A | 0.0000 | |
| 544 | Y | A | 0.2463 | |
| 545 | W | A | -0.0096 | |
| 546 | P | A | 0.0000 | |
| 547 | N | A | 0.0110 | |
| 548 | A | A | 0.0400 | |
| 549 | S | A | -0.4211 | |
| 550 | L | A | -0.1100 | |
| 551 | T | A | -0.0303 | |
| 552 | G | A | 0.2917 | |
| 553 | C | A | 0.3689 | |
| 554 | F | A | 0.7220 | |
| 555 | E | A | -0.9370 | |
| 556 | L | A | 0.0000 | |
| 557 | P | A | -1.1340 | |
| 558 | Q | A | -1.7276 | |
| 559 | E | A | -2.2143 | |
| 560 | Y | A | -1.2788 | |
| 561 | I | A | -1.0544 | |
| 562 | R | A | -1.5669 | |
| 563 | W | A | 0.3518 | |
| 564 | G | A | -0.2068 | |
| 565 | D | A | -0.2469 | |
| 566 | A | A | 0.3214 | |
| 567 | W | A | 0.4688 | |
| 568 | A | A | 0.0000 | |
| 569 | V | A | 1.2867 | |
| 570 | G | A | 0.7874 | |
| 571 | P | A | 0.0000 | |
| 572 | V | A | 1.5794 | |
| 573 | T | A | 1.1966 | |
| 574 | I | A | 1.6722 | |
| 575 | A | A | 0.0000 | |
| 576 | C | A | 1.8182 | |
| 577 | L | A | 2.4499 | |
| 578 | G | A | 1.9908 | |
| 579 | A | A | 0.0000 | |
| 580 | L | A | 2.9873 | |
| 581 | A | A | 2.1314 | |
| 582 | T | A | 0.0000 | |
| 583 | L | A | 2.3443 | |
| 584 | F | A | 2.6806 | |
| 585 | V | A | 0.0000 | |
| 586 | L | A | 1.4719 | |
| 587 | G | A | 0.8819 | |
| 588 | V | A | 0.0000 | |
| 589 | F | A | 0.0000 | |
| 590 | V | A | 0.8891 | |
| 591 | R | A | -1.1946 | |
| 592 | H | A | -0.8364 | |
| 593 | N | A | -0.7073 | |
| 594 | A | A | -0.6367 | |
| 595 | T | A | -0.0847 | |
| 596 | P | A | 0.0777 | |
| 597 | V | A | -0.1369 | |
| 598 | V | A | 0.0000 | |
| 599 | K | A | -1.9633 | |
| 600 | A | A | -0.8226 | |
| 601 | S | A | 0.0000 | |
| 602 | G | A | -1.0196 | |
| 603 | R | A | -1.1085 | |
| 604 | E | A | -0.9835 | |
| 605 | L | A | 0.0000 | |
| 606 | C | A | 0.0000 | |
| 607 | Y | A | 0.3002 | |
| 608 | I | A | 0.4225 | |
| 609 | L | A | 0.0000 | |
| 610 | L | A | 0.0000 | |
| 611 | G | A | 0.4380 | |
| 612 | G | A | 0.0000 | |
| 613 | V | A | 0.0000 | |
| 614 | F | A | 1.2196 | |
| 615 | L | A | 0.7564 | |
| 616 | C | A | 0.0000 | |
| 617 | Y | A | 0.0000 | |
| 618 | C | A | 0.8372 | |
| 619 | M | A | 0.0000 | |
| 620 | T | A | 0.0000 | |
| 621 | F | A | 0.9866 | |
| 622 | I | A | 0.6871 | |
| 623 | F | A | 0.0000 | |
| 624 | I | A | 0.0000 | |
| 625 | A | A | -0.4132 | |
| 626 | K | A | -1.6188 | |
| 627 | P | A | 0.0000 | |
| 628 | S | A | -0.1837 | |
| 629 | T | A | 0.0844 | |
| 630 | A | A | 0.3146 | |
| 631 | V | A | 0.5441 | |
| 632 | C | A | 0.0000 | |
| 633 | T | A | 0.6063 | |
| 634 | L | A | 1.1026 | |
| 635 | R | A | 0.5960 | |
| 636 | R | A | 0.0000 | |
| 637 | L | A | 0.9137 | |
| 638 | G | A | 0.0000 | |
| 639 | L | A | 0.0000 | |
| 640 | G | A | 0.0000 | |
| 641 | T | A | 0.3692 | |
| 642 | A | A | 0.0000 | |
| 643 | F | A | 0.0000 | |
| 644 | S | A | 0.0000 | |
| 645 | V | A | 0.4972 | |
| 646 | C | A | 0.0000 | |
| 647 | Y | A | 0.0000 | |
| 648 | S | A | 0.0000 | |
| 649 | A | A | 0.0000 | |
| 650 | L | A | 0.0000 | |
| 651 | L | A | 0.0000 | |
| 652 | T | A | 0.0000 | |
| 653 | K | A | 0.0000 | |
| 654 | T | A | 0.0000 | |
| 655 | N | A | -0.4309 | |
| 656 | R | A | -0.3036 | |
| 657 | I | A | 0.0000 | |
| 658 | A | A | 0.0000 | |
| 659 | R | A | -1.0146 | |
| 660 | I | A | -0.2739 | |
| 661 | F | A | -0.4543 | |
| 662 | G | A | -1.3000 | |
| 663 | G | A | -2.0031 | |
| 664 | A | A | -1.8062 | |
| 665 | R | A | -2.7654 | |
| 666 | E | A | -3.0771 | |
| 667 | G | A | -2.4199 | |
| 668 | A | A | -1.8468 | |
| 669 | Q | A | -2.7388 | |
| 670 | R | A | -2.6581 | |
| 671 | P | A | -1.6923 | |
| 672 | R | A | -1.5494 | |
| 673 | F | A | 0.8702 | |
| 674 | I | A | 0.1624 | |
| 675 | S | A | 0.2280 | |
| 676 | P | A | 0.0073 | |
| 677 | A | A | 0.3473 | |
| 678 | S | A | 0.8063 | |
| 679 | Q | A | 0.0000 | |
| 680 | V | A | 0.7753 | |
| 681 | A | A | 1.1698 | |
| 682 | I | A | 1.4631 | |
| 683 | C | A | 0.0000 | |
| 684 | L | A | 1.5696 | |
| 685 | A | A | 1.0210 | |
| 686 | L | A | 0.9530 | |
| 687 | I | A | 0.0000 | |
| 688 | S | A | 1.0728 | |
| 689 | G | A | 1.0287 | |
| 690 | Q | A | 0.0000 | |
| 691 | L | A | 1.5808 | |
| 692 | L | A | 2.2103 | |
| 693 | I | A | 1.8632 | |
| 694 | V | A | 0.0000 | |
| 695 | A | A | 1.8579 | |
| 696 | A | A | 1.9832 | |
| 697 | W | A | 0.0000 | |
| 698 | L | A | 1.9020 | |
| 699 | V | A | 2.6902 | |
| 700 | V | A | 2.5950 | |
| 701 | E | A | 0.7864 | |
| 702 | A | A | 0.6656 | |
| 703 | P | A | 0.3403 | |
| 704 | G | A | -0.1039 | |
| 705 | I | A | -0.1041 | |
| 706 | G | A | -1.4895 | |
| 707 | K | A | -2.6489 | |
| 708 | E | A | -2.8052 | |
| 709 | T | A | -2.0978 | |
| 710 | A | A | -2.0270 | |
| 711 | P | A | -2.1181 | |
| 712 | E | A | -3.2415 | |
| 713 | R | A | -3.6843 | |
| 714 | R | A | -2.7896 | |
| 715 | E | A | -2.7961 | |
| 716 | V | A | -2.3249 | |
| 717 | V | A | 0.0000 | |
| 718 | T | A | -1.7014 | |
| 719 | L | A | 0.0000 | |
| 720 | R | A | -1.4901 | |
| 721 | C | A | -1.0232 | |
| 722 | N | A | -2.2100 | |
| 723 | H | A | -2.2099 | |
| 724 | R | A | -3.1027 | |
| 725 | D | A | -2.7427 | |
| 726 | A | A | -1.3609 | |
| 727 | S | A | -1.3591 | |
| 728 | M | A | 0.0000 | |
| 729 | L | A | -0.3978 | |
| 730 | G | A | -0.4479 | |
| 731 | S | A | 0.0000 | |
| 732 | L | A | 0.0000 | |
| 733 | A | A | 0.7657 | |
| 734 | Y | A | 1.1316 | |
| 735 | N | A | 0.0000 | |
| 736 | V | A | 1.9338 | |
| 737 | L | A | 2.0076 | |
| 738 | L | A | 0.0000 | |
| 739 | I | A | 0.0000 | |
| 740 | A | A | 1.6339 | |
| 741 | L | A | 1.9032 | |
| 742 | C | A | 0.0000 | |
| 743 | T | A | 1.7980 | |
| 744 | L | A | 2.1382 | |
| 745 | Y | A | 0.9304 | |
| 746 | A | A | 0.0000 | |
| 747 | F | A | 0.8153 | |
| 748 | K | A | -1.1541 | |
| 749 | T | A | 0.0000 | |
| 750 | R | A | -3.1371 | |
| 751 | K | A | -3.0209 | |
| 752 | C | A | -2.4732 | |
| 753 | P | A | -2.1176 | |
| 754 | E | A | -3.4151 | |
| 755 | N | A | -2.3477 | |
| 756 | F | A | -1.8593 | |
| 757 | N | A | -2.6762 | |
| 758 | E | A | -1.3961 | |
| 759 | A | A | 0.0000 | |
| 760 | K | A | -2.1071 | |
| 761 | F | A | -0.1055 | |
| 762 | I | A | 0.0000 | |
| 763 | G | A | 0.0000 | |
| 764 | F | A | 1.4108 | |
| 765 | T | A | 0.0000 | |
| 766 | M | A | 0.0000 | |
| 767 | Y | A | 2.0194 | |
| 768 | T | A | 1.8098 | |
| 769 | T | A | 0.0000 | |
| 770 | C | A | 2.1983 | |
| 771 | I | A | 2.9401 | |
| 772 | I | A | 2.0468 | |
| 773 | W | A | 0.0000 | |
| 774 | L | A | 2.5579 | |
| 775 | A | A | 1.6873 | |
| 776 | F | A | 0.0000 | |
| 777 | L | A | 1.5313 | |
| 778 | P | A | 1.5754 | |
| 779 | I | A | 2.2308 | |
| 780 | F | A | 0.0000 | |
| 781 | Y | A | 2.1836 | |
| 782 | V | A | 2.6522 | |
| 783 | T | A | 1.3055 | |
| 784 | S | A | 0.4831 | |
| 785 | S | A | 0.0607 | |
| 786 | D | A | -0.3406 | |
| 787 | Y | A | -0.3602 | |
| 788 | R | A | -0.5299 | |
| 789 | V | A | 0.2660 | |
| 790 | Q | A | 0.0000 | |
| 791 | T | A | -0.0317 | |
| 792 | T | A | 0.3033 | |
| 793 | T | A | 0.3623 | |
| 794 | M | A | 0.0000 | |
| 795 | C | A | 0.0000 | |
| 796 | V | A | 0.7293 | |
| 797 | S | A | 0.4930 | |
| 798 | V | A | 0.0000 | |
| 799 | S | A | 0.0000 | |
| 800 | L | A | 0.9604 | |
| 801 | S | A | 0.0000 | |
| 802 | G | A | 0.0000 | |
| 803 | S | A | 0.5679 | |
| 804 | V | A | 0.6433 | |
| 805 | V | A | 0.0000 | |
| 806 | L | A | 0.2221 | |
| 807 | G | A | -0.0470 | |
| 808 | C | A | 0.3008 | |
| 809 | L | A | 0.0000 | |
| 810 | F | A | 0.0000 | |
| 811 | A | A | -0.1401 | |
| 812 | P | A | -0.3196 | |
| 813 | K | A | 0.0000 | |
| 814 | L | A | 0.4425 | |
| 815 | H | A | 0.0258 | |
| 816 | I | A | -0.0171 | |
| 817 | I | A | 0.0000 | |
| 818 | L | A | 1.1064 | |
| 819 | F | A | 1.4475 | |
| 820 | Q | A | -0.4622 | |
| 821 | P | A | -0.6467 | |
| 822 | Q | A | -1.4995 | |
| 823 | K | A | -1.5807 | |
| 824 | N | A | -0.1484 | |
| 825 | V | A | 1.4809 | |
| 826 | V | A | 1.6795 | |
| 827 | S | A | -0.1068 | |
| 828 | H | A | -1.4974 | |
| 829 | R | A | -2.1236 | |
| 830 | A | A | -1.3419 | |
| 831 | P | A | -1.2753 | |
| 832 | T | A | -0.8761 | |
| 833 | S | A | -0.8002 | |
| 834 | R | A | -1.2247 | |
| 835 | F | A | 0.6684 | |
| 836 | G | A | -0.2475 | |
| 837 | S | A | -0.1481 | |
| 838 | A | A | -0.3644 | |
| 839 | A | A | -0.6470 | |
| 840 | P | A | -1.1557 | |
| 841 | R | A | -1.9665 | |
| 842 | A | A | -0.9953 | |
| 843 | S | A | -0.8760 | |
| 844 | A | A | -0.3545 | |
| 845 | N | A | -0.6112 | |
| 846 | L | A | 0.4339 | |
| 847 | G | A | -0.6419 | |
| 848 | Q | A | -1.3900 | |
| 849 | G | A | -1.3911 | |
| 850 | S | A | -1.1188 | |
| 851 | G | A | -0.9534 | |
| 852 | S | A | -0.4562 | |
| 853 | Q | A | -0.2881 | |
| 854 | L | A | 1.6245 | |
| 855 | V | A | 2.2648 | |
| 856 | P | A | 1.4507 | |
| 857 | T | A | 1.3590 | |
| 858 | V | A | 1.8058 | |
| 859 | C | A | 0.4941 | |
| 860 | N | A | -1.3314 | |
| 861 | G | A | -1.8857 | |
| 862 | R | A | -2.4448 | |
| 863 | E | A | -1.8687 | |
| 864 | V | A | 0.6489 | |
| 865 | V | A | 0.9410 | |
| 866 | D | A | -0.7819 | |
| 867 | S | A | -0.5023 | |
| 868 | T | A | -0.5055 | |
| 869 | T | A | -0.3443 | |
| 870 | S | A | -0.0651 | |
| 871 | S | A | 0.4715 | |
| 872 | L | A | 1.3834 |
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 | -0.2269 | 4.7954 | View | CSV | PDB |
| 4.5 | -0.275 | 4.7954 | View | CSV | PDB |
| 5.0 | -0.3336 | 4.7954 | View | CSV | PDB |
| 5.5 | -0.3935 | 4.7954 | View | CSV | PDB |
| 6.0 | -0.4457 | 4.7954 | View | CSV | PDB |
| 6.5 | -0.483 | 4.7954 | View | CSV | PDB |
| 7.0 | -0.5035 | 4.7954 | View | CSV | PDB |
| 7.5 | -0.5119 | 4.7954 | View | CSV | PDB |
| 8.0 | -0.5124 | 4.7954 | View | CSV | PDB |
| 8.5 | -0.5064 | 4.7954 | View | CSV | PDB |
| 9.0 | -0.494 | 4.7954 | 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