| Chain sequence(s) | MGCVQCKDKEAAKLTEERDGSLNQSSGYRYGTDPTPQHYPSFGVTSIPNYNNFHAAGGQGLTVFGGVNSSSHTGTLRTRGGTGVTLFVALYDYEARTEDDLSFHKGEKFQILNSSEGDWWEARSLTTGETGYIPSNYVAPVDSIQAEEWYFGKLGRKDAERQLLSFGNPRGTFLIRESETTKGAYSLSIRDWDDMKGDHVKHYKIRKLDNGGYYITTRAQFETLQQLVQHYSERAAGLCCRLVVPCHKGMPRLTDLSVKTKDVWEIPRESLQLIKRLGNGQFGEVWMGTWNGNTKVAIKTLKPGTMSPESFLEEAQIMKKLKHDKLVQLYAVVSEEPIYIVTEYMNKGSLLDFLKDGEGRALKLPNLVDMAAQVAAGMAYIERMNYIHRDLRSANILVGNGLICKIADFGLARLIEDNEYTARQGAKFPIKWTAPEAALYGRFTIKSDVWSFGILLTELVTKGRVPYPGMNNREVLEQVERGYRMPCPQDCPISLHELMIHCWKKDPEERPTFEYLQGFLEDYFTATEPQYQPGENL 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 globular. Max score is recommended for pH analysis. (00:00:07)
[INFO] FoldX: Starting FoldX energy minimization (00:00:07)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:22:37)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/2bba8477862494/tmp/folded.pdb (00:22:37)
[INFO] Main: Simulation completed successfully. (00:29:21)
|
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 | 0.9887 | |
| 2 | G | A | 0.7940 | |
| 3 | C | A | 1.3687 | |
| 4 | V | A | 1.5994 | |
| 5 | Q | A | -0.1971 | |
| 6 | C | A | -0.7052 | |
| 7 | K | A | -2.8906 | |
| 8 | D | A | -3.6916 | |
| 9 | K | A | -3.8393 | |
| 10 | E | A | -3.0213 | |
| 11 | A | A | -1.5292 | |
| 12 | A | A | -0.8555 | |
| 13 | K | A | -0.8715 | |
| 14 | L | A | 0.2656 | |
| 15 | T | A | -0.9965 | |
| 16 | E | A | -2.8585 | |
| 17 | E | A | -4.0875 | |
| 18 | R | A | -4.0996 | |
| 19 | D | A | -3.3609 | |
| 20 | G | A | -1.5491 | |
| 21 | S | A | -0.3571 | |
| 22 | L | A | 0.4204 | |
| 23 | N | A | -1.1144 | |
| 24 | Q | A | -1.6299 | |
| 25 | S | A | -1.2959 | |
| 26 | S | A | -0.5417 | |
| 27 | G | A | -0.3909 | |
| 28 | Y | A | 0.4290 | |
| 29 | R | A | -0.7947 | |
| 30 | Y | A | 0.4071 | |
| 31 | G | A | -0.5204 | |
| 32 | T | A | -0.9277 | |
| 33 | D | A | -2.1017 | |
| 34 | P | A | -1.4468 | |
| 35 | T | A | -1.1659 | |
| 36 | P | A | -1.2502 | |
| 37 | Q | A | -1.5300 | |
| 38 | H | A | -1.1075 | |
| 39 | Y | A | 0.5682 | |
| 40 | P | A | 0.3994 | |
| 41 | S | A | 0.8433 | |
| 42 | F | A | 2.1353 | |
| 43 | G | A | 1.2006 | |
| 44 | V | A | 2.1743 | |
| 45 | T | A | 1.3957 | |
| 46 | S | A | 0.8872 | |
| 47 | I | A | 1.8453 | |
| 48 | P | A | 0.2245 | |
| 49 | N | A | -0.8793 | |
| 50 | Y | A | 0.2162 | |
| 51 | N | A | -1.3100 | |
| 52 | N | A | -0.9897 | |
| 53 | F | A | 0.7378 | |
| 54 | H | A | -0.5456 | |
| 55 | A | A | -0.1889 | |
| 56 | A | A | -0.2787 | |
| 57 | G | A | -1.1021 | |
| 58 | G | A | -1.1441 | |
| 59 | Q | A | -1.3842 | |
| 60 | G | A | -0.3315 | |
| 61 | L | A | 1.2917 | |
| 62 | T | A | 0.9775 | |
| 63 | V | A | 1.5928 | |
| 64 | F | A | 1.5009 | |
| 65 | G | A | 0.5349 | |
| 66 | G | A | 0.1603 | |
| 67 | V | A | 0.8126 | |
| 68 | N | A | -0.7630 | |
| 69 | S | A | -0.6925 | |
| 70 | S | A | -0.7892 | |
| 71 | S | A | -1.0586 | |
| 72 | H | A | -1.3078 | |
| 73 | T | A | -0.7081 | |
| 74 | G | A | -0.7988 | |
| 75 | T | A | -0.1494 | |
| 76 | L | A | 0.3867 | |
| 77 | R | A | -1.8172 | |
| 78 | T | A | -1.7819 | |
| 79 | R | A | -2.5592 | |
| 80 | G | A | -1.9885 | |
| 81 | G | A | -1.3988 | |
| 82 | T | A | -0.6071 | |
| 83 | G | A | 0.0778 | |
| 84 | V | A | 1.5923 | |
| 85 | T | A | 0.7293 | |
| 86 | L | A | 0.6539 | |
| 87 | F | A | 0.3566 | |
| 88 | V | A | -0.5488 | |
| 89 | A | A | 0.0000 | |
| 90 | L | A | -1.1872 | |
| 91 | Y | A | -1.2456 | |
| 92 | D | A | -2.2579 | |
| 93 | Y | A | 0.0000 | |
| 94 | E | A | -2.4709 | |
| 95 | A | A | -1.7792 | |
| 96 | R | A | -1.9828 | |
| 97 | T | A | -2.1797 | |
| 98 | E | A | -2.4176 | |
| 99 | D | A | -2.2658 | |
| 100 | D | A | 0.0000 | |
| 101 | L | A | 0.0000 | |
| 102 | S | A | -1.7238 | |
| 103 | F | A | 0.0000 | |
| 104 | H | A | -2.6553 | |
| 105 | K | A | -2.6735 | |
| 106 | G | A | -1.5035 | |
| 107 | E | A | -1.3694 | |
| 108 | K | A | -0.9766 | |
| 109 | F | A | 0.0000 | |
| 110 | Q | A | -0.0910 | |
| 111 | I | A | 0.2247 | |
| 112 | L | A | 0.4865 | |
| 113 | N | A | -0.7100 | |
| 114 | S | A | -0.7678 | |
| 115 | S | A | -0.9138 | |
| 116 | E | A | -1.3027 | |
| 117 | G | A | -0.7298 | |
| 118 | D | A | -1.0749 | |
| 119 | W | A | 0.0000 | |
| 120 | W | A | 0.0000 | |
| 121 | E | A | -0.9561 | |
| 122 | A | A | 0.0000 | |
| 123 | R | A | -1.9013 | |
| 124 | S | A | 0.0000 | |
| 125 | L | A | -0.2028 | |
| 126 | T | A | -0.5077 | |
| 127 | T | A | -0.8489 | |
| 128 | G | A | -1.2450 | |
| 129 | E | A | -2.2499 | |
| 130 | T | A | -1.6058 | |
| 131 | G | A | 0.0000 | |
| 132 | Y | A | -0.8601 | |
| 133 | I | A | 0.0000 | |
| 134 | P | A | 0.0000 | |
| 135 | S | A | 0.0000 | |
| 136 | N | A | -1.3004 | |
| 137 | Y | A | 0.0000 | |
| 138 | V | A | 0.0000 | |
| 139 | A | A | 0.0000 | |
| 140 | P | A | -0.2023 | |
| 141 | V | A | -0.2335 | |
| 142 | D | A | -1.4868 | |
| 143 | S | A | -0.6677 | |
| 144 | I | A | -0.4504 | |
| 145 | Q | A | -0.6020 | |
| 146 | A | A | -0.7056 | |
| 147 | E | A | -1.2971 | |
| 148 | E | A | -2.0536 | |
| 149 | W | A | 0.0000 | |
| 150 | Y | A | -0.7089 | |
| 151 | F | A | -0.5818 | |
| 152 | G | A | -0.7823 | |
| 153 | K | A | -2.0180 | |
| 154 | L | A | -1.1827 | |
| 155 | G | A | -1.2959 | |
| 156 | R | A | -1.3118 | |
| 157 | K | A | -1.1173 | |
| 158 | D | A | -0.7682 | |
| 159 | A | A | 0.0000 | |
| 160 | E | A | -0.6249 | |
| 161 | R | A | -0.5002 | |
| 162 | Q | A | -0.6851 | |
| 163 | L | A | 0.0000 | |
| 164 | L | A | 0.1196 | |
| 165 | S | A | 0.4585 | |
| 166 | F | A | 1.6656 | |
| 167 | G | A | 0.2397 | |
| 168 | N | A | 0.0000 | |
| 169 | P | A | -0.4552 | |
| 170 | R | A | -1.4367 | |
| 171 | G | A | 0.0000 | |
| 172 | T | A | 0.0000 | |
| 173 | F | A | 0.0000 | |
| 174 | L | A | 0.0000 | |
| 175 | I | A | 0.0000 | |
| 176 | R | A | 0.0000 | |
| 177 | E | A | -1.7055 | |
| 178 | S | A | 0.0000 | |
| 179 | E | A | -2.6604 | |
| 180 | T | A | -1.4792 | |
| 181 | T | A | -1.8449 | |
| 182 | K | A | -2.3699 | |
| 183 | G | A | -1.9585 | |
| 184 | A | A | 0.0000 | |
| 185 | Y | A | -1.4839 | |
| 186 | S | A | 0.0000 | |
| 187 | L | A | 0.0000 | |
| 188 | S | A | 0.0000 | |
| 189 | I | A | 0.0000 | |
| 190 | R | A | -0.5885 | |
| 191 | D | A | 0.0000 | |
| 192 | W | A | -0.9475 | |
| 193 | D | A | -1.4144 | |
| 194 | D | A | -1.9987 | |
| 195 | M | A | -0.8362 | |
| 196 | K | A | -2.0791 | |
| 197 | G | A | -1.7760 | |
| 198 | D | A | -1.9713 | |
| 199 | H | A | -1.1553 | |
| 200 | V | A | -0.3757 | |
| 201 | K | A | -0.3862 | |
| 202 | H | A | 0.0000 | |
| 203 | Y | A | 0.0000 | |
| 204 | K | A | -1.2898 | |
| 205 | I | A | 0.0000 | |
| 206 | R | A | -2.6123 | |
| 207 | K | A | -2.5916 | |
| 208 | L | A | -2.1808 | |
| 209 | D | A | -2.6987 | |
| 210 | N | A | -2.4623 | |
| 211 | G | A | -1.9411 | |
| 212 | G | A | 0.0000 | |
| 213 | Y | A | -1.9315 | |
| 214 | Y | A | 0.0000 | |
| 215 | I | A | 0.0000 | |
| 216 | T | A | 0.0000 | |
| 217 | T | A | -1.6308 | |
| 218 | R | A | -2.3231 | |
| 219 | A | A | -1.3865 | |
| 220 | Q | A | -2.2295 | |
| 221 | F | A | -1.6003 | |
| 222 | E | A | -2.4404 | |
| 223 | T | A | -1.4505 | |
| 224 | L | A | 0.0000 | |
| 225 | Q | A | -1.4358 | |
| 226 | Q | A | -1.9881 | |
| 227 | L | A | 0.0000 | |
| 228 | V | A | 0.0000 | |
| 229 | Q | A | -2.4134 | |
| 230 | H | A | -2.1815 | |
| 231 | Y | A | 0.0000 | |
| 232 | S | A | -1.9341 | |
| 233 | E | A | -3.1354 | |
| 234 | R | A | -3.1971 | |
| 235 | A | A | -1.7122 | |
| 236 | A | A | -1.2701 | |
| 237 | G | A | -1.2321 | |
| 238 | L | A | 0.0000 | |
| 239 | C | A | -0.2791 | |
| 240 | C | A | -0.7866 | |
| 241 | R | A | -1.9351 | |
| 242 | L | A | 0.0000 | |
| 243 | V | A | 0.5870 | |
| 244 | V | A | 0.4400 | |
| 245 | P | A | -0.3022 | |
| 246 | C | A | 0.0000 | |
| 247 | H | A | -1.5465 | |
| 248 | K | A | -1.1515 | |
| 249 | G | A | -0.8391 | |
| 250 | M | A | -0.0929 | |
| 251 | P | A | -0.8512 | |
| 252 | R | A | -2.0987 | |
| 253 | L | A | 0.0000 | |
| 254 | T | A | -1.2524 | |
| 255 | D | A | -1.0904 | |
| 256 | L | A | 0.0000 | |
| 257 | S | A | 0.0000 | |
| 258 | V | A | -1.4084 | |
| 259 | K | A | -1.9361 | |
| 260 | T | A | 0.0000 | |
| 261 | K | A | -1.8448 | |
| 262 | D | A | -1.8237 | |
| 263 | V | A | -0.1453 | |
| 264 | W | A | 0.0000 | |
| 265 | E | A | -1.4993 | |
| 266 | I | A | 0.0000 | |
| 267 | P | A | -1.5159 | |
| 268 | R | A | -1.9036 | |
| 269 | E | A | -2.4281 | |
| 270 | S | A | -1.7700 | |
| 271 | L | A | -1.5138 | |
| 272 | Q | A | -1.8338 | |
| 273 | L | A | -0.2921 | |
| 274 | I | A | -0.5280 | |
| 275 | K | A | -1.7949 | |
| 276 | R | A | -2.0175 | |
| 277 | L | A | -0.3678 | |
| 278 | G | A | -1.0497 | |
| 279 | N | A | -1.9635 | |
| 280 | G | A | -1.8264 | |
| 281 | Q | A | -1.9554 | |
| 282 | F | A | -1.3913 | |
| 283 | G | A | -1.5234 | |
| 284 | E | A | -1.5822 | |
| 285 | V | A | -0.4794 | |
| 286 | W | A | -0.6028 | |
| 287 | M | A | -0.7519 | |
| 288 | G | A | 0.0000 | |
| 289 | T | A | 0.0000 | |
| 290 | W | A | 0.0000 | |
| 291 | N | A | -2.4764 | |
| 292 | G | A | -2.1568 | |
| 293 | N | A | -2.6704 | |
| 294 | T | A | 0.0000 | |
| 295 | K | A | -2.1782 | |
| 296 | V | A | 0.0000 | |
| 297 | A | A | 0.0000 | |
| 298 | I | A | 0.0000 | |
| 299 | K | A | -0.5109 | |
| 300 | T | A | -0.7603 | |
| 301 | L | A | 0.0000 | |
| 302 | K | A | -2.3852 | |
| 303 | P | A | -1.8334 | |
| 304 | G | A | -1.5830 | |
| 305 | T | A | 0.0000 | |
| 306 | M | A | 0.0000 | |
| 307 | S | A | -1.4209 | |
| 308 | P | A | -1.9285 | |
| 309 | E | A | -2.4743 | |
| 310 | S | A | -1.8711 | |
| 311 | F | A | 0.0000 | |
| 312 | L | A | -1.4820 | |
| 313 | E | A | -2.1731 | |
| 314 | E | A | 0.0000 | |
| 315 | A | A | 0.0000 | |
| 316 | Q | A | -1.1442 | |
| 317 | I | A | -0.5538 | |
| 318 | M | A | 0.0000 | |
| 319 | K | A | -1.5469 | |
| 320 | K | A | -2.2203 | |
| 321 | L | A | 0.0000 | |
| 322 | K | A | -2.7751 | |
| 323 | H | A | -2.1272 | |
| 324 | D | A | -2.4443 | |
| 325 | K | A | 0.0000 | |
| 326 | L | A | 0.0000 | |
| 327 | V | A | 0.0000 | |
| 328 | Q | A | -1.1441 | |
| 329 | L | A | 0.0000 | |
| 330 | Y | A | 0.0000 | |
| 331 | A | A | 0.0000 | |
| 332 | V | A | 0.0000 | |
| 333 | V | A | 0.0000 | |
| 334 | S | A | -1.8594 | |
| 335 | E | A | -2.8879 | |
| 336 | E | A | -2.5093 | |
| 337 | P | A | -1.9215 | |
| 338 | I | A | 0.0000 | |
| 339 | Y | A | -0.8521 | |
| 340 | I | A | 0.0000 | |
| 341 | V | A | 0.0000 | |
| 342 | T | A | -0.2106 | |
| 343 | E | A | 0.0000 | |
| 344 | Y | A | -0.4501 | |
| 345 | M | A | 0.0000 | |
| 346 | N | A | -1.6123 | |
| 347 | K | A | -1.6934 | |
| 348 | G | A | -0.8565 | |
| 349 | S | A | -0.8221 | |
| 350 | L | A | 0.0000 | |
| 351 | L | A | -1.3273 | |
| 352 | D | A | -3.2063 | |
| 353 | F | A | 0.0000 | |
| 354 | L | A | 0.0000 | |
| 355 | K | A | -3.8317 | |
| 356 | D | A | -3.7880 | |
| 357 | G | A | -3.1842 | |
| 358 | E | A | -3.1960 | |
| 359 | G | A | 0.0000 | |
| 360 | R | A | -3.6089 | |
| 361 | A | A | -1.7213 | |
| 362 | L | A | -1.5898 | |
| 363 | K | A | -1.8051 | |
| 364 | L | A | -0.8391 | |
| 365 | P | A | -0.4839 | |
| 366 | N | A | -0.9592 | |
| 367 | L | A | 0.0000 | |
| 368 | V | A | 0.0000 | |
| 369 | D | A | -0.8302 | |
| 370 | M | A | 0.0000 | |
| 371 | A | A | 0.0000 | |
| 372 | A | A | 0.0000 | |
| 373 | Q | A | 0.0000 | |
| 374 | V | A | 0.0000 | |
| 375 | A | A | 0.0000 | |
| 376 | A | A | -0.6845 | |
| 377 | G | A | 0.0000 | |
| 378 | M | A | 0.0000 | |
| 379 | A | A | 0.0000 | |
| 380 | Y | A | -1.2761 | |
| 381 | I | A | 0.0000 | |
| 382 | E | A | -1.5085 | |
| 383 | R | A | -2.2141 | |
| 384 | M | A | -1.0169 | |
| 385 | N | A | -1.4590 | |
| 386 | Y | A | -0.4129 | |
| 387 | I | A | -0.0524 | |
| 388 | H | A | 0.0000 | |
| 389 | R | A | -0.6643 | |
| 390 | D | A | 0.0000 | |
| 391 | L | A | 0.0000 | |
| 392 | R | A | -0.3388 | |
| 393 | S | A | 0.0000 | |
| 394 | A | A | -0.3535 | |
| 395 | N | A | 0.0000 | |
| 396 | I | A | 0.0000 | |
| 397 | L | A | -0.2123 | |
| 398 | V | A | 0.0000 | |
| 399 | G | A | 0.0000 | |
| 400 | N | A | -1.6874 | |
| 401 | G | A | -0.6033 | |
| 402 | L | A | -0.5961 | |
| 403 | I | A | -0.2956 | |
| 404 | C | A | 0.0000 | |
| 405 | K | A | -0.3579 | |
| 406 | I | A | 0.0000 | |
| 407 | A | A | 0.0000 | |
| 408 | D | A | -0.6077 | |
| 409 | F | A | 0.0000 | |
| 410 | G | A | 0.0000 | |
| 411 | L | A | 0.0000 | |
| 412 | A | A | -1.2030 | |
| 413 | R | A | -2.0406 | |
| 414 | L | A | 0.0000 | |
| 415 | I | A | -1.7191 | |
| 416 | E | A | -2.8913 | |
| 417 | D | A | -2.5727 | |
| 418 | N | A | -3.1597 | |
| 419 | E | A | -3.2927 | |
| 420 | Y | A | -2.3369 | |
| 421 | T | A | -2.1997 | |
| 422 | A | A | -1.5553 | |
| 423 | R | A | -2.6715 | |
| 424 | Q | A | -2.8980 | |
| 425 | G | A | -2.1429 | |
| 426 | A | A | -1.4109 | |
| 427 | K | A | -1.2140 | |
| 428 | F | A | 0.0000 | |
| 429 | P | A | 0.0000 | |
| 430 | I | A | 0.0000 | |
| 431 | K | A | -0.5734 | |
| 432 | W | A | 0.1100 | |
| 433 | T | A | 0.0000 | |
| 434 | A | A | 0.0000 | |
| 435 | P | A | 0.0000 | |
| 436 | E | A | 0.0000 | |
| 437 | A | A | 0.0000 | |
| 438 | A | A | 0.0000 | |
| 439 | L | A | -0.0284 | |
| 440 | Y | A | 0.2929 | |
| 441 | G | A | -0.8729 | |
| 442 | R | A | -1.5515 | |
| 443 | F | A | -0.8232 | |
| 444 | T | A | -0.4941 | |
| 445 | I | A | -0.1767 | |
| 446 | K | A | -1.1404 | |
| 447 | S | A | 0.0000 | |
| 448 | D | A | 0.0000 | |
| 449 | V | A | 0.0000 | |
| 450 | W | A | 0.0000 | |
| 451 | S | A | 0.0000 | |
| 452 | F | A | 0.0000 | |
| 453 | G | A | 0.0000 | |
| 454 | I | A | 0.0000 | |
| 455 | L | A | 0.0000 | |
| 456 | L | A | 0.0000 | |
| 457 | T | A | 0.0000 | |
| 458 | E | A | 0.0000 | |
| 459 | L | A | 0.0000 | |
| 460 | V | A | -0.7421 | |
| 461 | T | A | -1.2053 | |
| 462 | K | A | -1.8275 | |
| 463 | G | A | 0.0000 | |
| 464 | R | A | -1.2774 | |
| 465 | V | A | 0.7368 | |
| 466 | P | A | 0.0000 | |
| 467 | Y | A | 0.0000 | |
| 468 | P | A | -0.4668 | |
| 469 | G | A | -0.7154 | |
| 470 | M | A | -1.4985 | |
| 471 | N | A | -2.6951 | |
| 472 | N | A | -2.8099 | |
| 473 | R | A | -3.4333 | |
| 474 | E | A | -3.2320 | |
| 475 | V | A | 0.0000 | |
| 476 | L | A | -2.2003 | |
| 477 | E | A | -2.7609 | |
| 478 | Q | A | -2.3698 | |
| 479 | V | A | 0.0000 | |
| 480 | E | A | -2.6418 | |
| 481 | R | A | -2.9188 | |
| 482 | G | A | -2.0297 | |
| 483 | Y | A | -0.7957 | |
| 484 | R | A | -0.4893 | |
| 485 | M | A | 0.0000 | |
| 486 | P | A | -0.2009 | |
| 487 | C | A | -0.1718 | |
| 488 | P | A | -0.7041 | |
| 489 | Q | A | -1.9855 | |
| 490 | D | A | -1.9722 | |
| 491 | C | A | -0.5531 | |
| 492 | P | A | 0.1646 | |
| 493 | I | A | 1.3011 | |
| 494 | S | A | 0.3558 | |
| 495 | L | A | 0.0000 | |
| 496 | H | A | -0.0684 | |
| 497 | E | A | -1.0908 | |
| 498 | L | A | 0.0000 | |
| 499 | M | A | 0.0000 | |
| 500 | I | A | -0.6825 | |
| 501 | H | A | -1.5118 | |
| 502 | C | A | 0.0000 | |
| 503 | W | A | 0.0000 | |
| 504 | K | A | -2.8967 | |
| 505 | K | A | -3.8049 | |
| 506 | D | A | -3.8780 | |
| 507 | P | A | -2.9273 | |
| 508 | E | A | -3.6253 | |
| 509 | E | A | -3.8483 | |
| 510 | R | A | 0.0000 | |
| 511 | P | A | -1.0885 | |
| 512 | T | A | -0.8154 | |
| 513 | F | A | 0.0000 | |
| 514 | E | A | -1.6473 | |
| 515 | Y | A | 0.0500 | |
| 516 | L | A | 0.0000 | |
| 517 | Q | A | -0.9020 | |
| 518 | G | A | -0.8330 | |
| 519 | F | A | -0.1240 | |
| 520 | L | A | 0.0000 | |
| 521 | E | A | -1.0399 | |
| 522 | D | A | -1.4459 | |
| 523 | Y | A | -0.0564 | |
| 524 | F | A | 0.7643 | |
| 525 | T | A | -0.6968 | |
| 526 | A | A | -0.6092 | |
| 527 | T | A | -1.0624 | |
| 528 | E | A | -2.1222 | |
| 529 | P | A | -1.8264 | |
| 530 | Q | A | -1.9480 | |
| 531 | Y | A | -1.1744 | |
| 532 | Q | A | -1.5488 | |
| 533 | P | A | -1.4682 | |
| 534 | G | A | -1.7895 | |
| 535 | E | A | -2.7707 | |
| 536 | N | A | -2.2479 | |
| 537 | L | A | -1.4858 |
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 | -0.6465 | 4.7636 | View | CSV | PDB |
| 4.5 | -0.7184 | 4.7636 | View | CSV | PDB |
| 5.0 | -0.8084 | 4.7636 | View | CSV | PDB |
| 5.5 | -0.9004 | 4.7636 | View | CSV | PDB |
| 6.0 | -0.9771 | 4.7636 | View | CSV | PDB |
| 6.5 | -1.0263 | 4.7636 | View | CSV | PDB |
| 7.0 | -1.0465 | 4.7636 | View | CSV | PDB |
| 7.5 | -1.0465 | 4.7635 | View | CSV | PDB |
| 8.0 | -1.035 | 4.7634 | View | CSV | PDB |
| 8.5 | -1.0153 | 4.7631 | View | CSV | PDB |
| 9.0 | -0.9867 | 4.7621 | 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