| Chain sequence(s) | MQRAGSSGARGECDISGAGRLRLEQAARLGGRTVHTSPGGGLGARQAAGMSAKERPKGKVIKDSVTLLPCFYFVELPILASSVVSLYFLELTDVFKPVHSGFSCYDRSLSMPYIEPTQEAIPFLMLLSLAFAGPAITIMVGEGILYCCLSKRRNGAGLEPNINAGGCNFNSFLRRAVRFVGVHVFGLCSTALITDIIQLSTGYQAPYFLTVCKPNYTSLNVSCKENSYIVEDICSGSDLTVINSGRKSFPSQHATLAAFAAVYVSMYFNSTLTDSSKLLKPLLVFTFIICGIICGLTRITQYKNHPVDVYCGFLIGGGIALYLGLYAVGNFLPSEDSMLQHRDALRSLTDLNQDPSRVLSAKNGSSGDGIAHTEGILNRNHRDASSLTNLKRANADVEIITPRSPMGKESMVTFSNTLPRANTPSVEDPVRRNASIHASMDSARSKQLLTQWKSKNESRKMSLQVMDTEPEGQSPPRSIEMRSSSEPSRVGVNGDHHVPGNQYLKIQPGTVPGCNNSMPGGPRVSIQSRPGSSQLVHIPEETQENISTSPKSSSARAKWLKAAEKTVACNRSNNQPRIMQVIAMSKQQGVLQSSPKNAEGSTVTCTGSIRYKTLTDHEPSGIVRVEAHPENNRPIIQIPSSTEGEGSGSWKWKAPEKSSLRQTYELNDLNRDSESCESLKDSFGSGDRKRSNIDSNEHHHHGITTIRVTPVEGSEIGSETLSVSSSRDSTLRRKGNIILIPERSNSPENTRNIFYKGTSPTRAYKD 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. (00:00:02)
[INFO] FoldX: Starting FoldX energy minimization (00:00:02)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:05:58)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/946241dba1278e/tmp/folded.pdb (00:05:58)
[INFO] Main: Simulation completed successfully. (00:10:35)
|
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 | 0.0496 | |
| 2 | Q | A | -1.7424 | |
| 3 | R | A | -2.3325 | |
| 4 | A | A | -1.4412 | |
| 5 | G | A | -1.1416 | |
| 6 | S | A | -0.6308 | |
| 7 | S | A | -0.8159 | |
| 8 | G | A | -0.9656 | |
| 9 | A | A | -1.4090 | |
| 10 | R | A | -2.5472 | |
| 11 | G | A | -2.2233 | |
| 12 | E | A | -2.3891 | |
| 13 | C | A | -0.8310 | |
| 14 | D | A | -1.0923 | |
| 15 | I | A | 0.9206 | |
| 16 | S | A | 0.0584 | |
| 17 | G | A | -0.5503 | |
| 18 | A | A | -0.3993 | |
| 19 | G | A | -1.2374 | |
| 20 | R | A | -1.7117 | |
| 21 | L | A | -0.2041 | |
| 22 | R | A | -1.7888 | |
| 23 | L | A | -0.3264 | |
| 24 | E | A | -2.2137 | |
| 25 | Q | A | -2.2036 | |
| 26 | A | A | -0.8984 | |
| 27 | A | A | -1.1873 | |
| 28 | R | A | -1.6947 | |
| 29 | L | A | -0.0337 | |
| 30 | G | A | -0.8307 | |
| 31 | G | A | -1.4138 | |
| 32 | R | A | -1.5932 | |
| 33 | T | A | -0.5042 | |
| 34 | V | A | 0.7606 | |
| 35 | H | A | -0.2241 | |
| 36 | T | A | -0.3316 | |
| 37 | S | A | -0.5224 | |
| 38 | P | A | -0.7095 | |
| 39 | G | A | -0.9559 | |
| 40 | G | A | -0.6572 | |
| 41 | G | A | -0.1425 | |
| 42 | L | A | 1.0126 | |
| 43 | G | A | -0.1399 | |
| 44 | A | A | -1.0161 | |
| 45 | R | A | -2.4975 | |
| 46 | Q | A | -2.0738 | |
| 47 | A | A | -1.0201 | |
| 48 | A | A | -0.1723 | |
| 49 | G | A | 0.0510 | |
| 50 | M | A | 0.5682 | |
| 51 | S | A | -0.4062 | |
| 52 | A | A | -1.3570 | |
| 53 | K | A | -2.9361 | |
| 54 | E | A | -3.8113 | |
| 55 | R | A | -3.7517 | |
| 56 | P | A | -2.8543 | |
| 57 | K | A | -3.1826 | |
| 58 | G | A | -1.6991 | |
| 59 | K | A | -1.2464 | |
| 60 | V | A | 1.0957 | |
| 61 | I | A | 1.3537 | |
| 62 | K | A | -0.8626 | |
| 63 | D | A | -1.1795 | |
| 64 | S | A | -0.0418 | |
| 65 | V | A | 1.3162 | |
| 66 | T | A | 0.5535 | |
| 67 | L | A | 1.3231 | |
| 68 | L | A | 1.8089 | |
| 69 | P | A | 2.1168 | |
| 70 | C | A | 2.5737 | |
| 71 | F | A | 2.0094 | |
| 72 | Y | A | 2.9937 | |
| 73 | F | A | 3.4569 | |
| 74 | V | A | 2.7928 | |
| 75 | E | A | 1.1039 | |
| 76 | L | A | 1.8708 | |
| 77 | P | A | 1.5979 | |
| 78 | I | A | 2.0511 | |
| 79 | L | A | 1.4441 | |
| 80 | A | A | 1.1626 | |
| 81 | S | A | 1.1180 | |
| 82 | S | A | 0.0000 | |
| 83 | V | A | 2.5445 | |
| 84 | V | A | 2.5841 | |
| 85 | S | A | 1.6807 | |
| 86 | L | A | 1.9099 | |
| 87 | Y | A | 2.6104 | |
| 88 | F | A | 2.7859 | |
| 89 | L | A | 1.8527 | |
| 90 | E | A | 0.8138 | |
| 91 | L | A | 1.6534 | |
| 92 | T | A | 1.0052 | |
| 93 | D | A | -0.4101 | |
| 94 | V | A | 1.7611 | |
| 95 | F | A | 1.8081 | |
| 96 | K | A | -0.6067 | |
| 97 | P | A | 0.0000 | |
| 98 | V | A | 0.8676 | |
| 99 | H | A | -0.1476 | |
| 100 | S | A | 0.2785 | |
| 101 | G | A | 0.6647 | |
| 102 | F | A | 0.0000 | |
| 103 | S | A | 0.4415 | |
| 104 | C | A | 0.2524 | |
| 105 | Y | A | 0.7027 | |
| 106 | D | A | -0.6861 | |
| 107 | R | A | -1.7912 | |
| 108 | S | A | -0.9829 | |
| 109 | L | A | 0.0000 | |
| 110 | S | A | -0.6735 | |
| 111 | M | A | -0.0751 | |
| 112 | P | A | 0.1151 | |
| 113 | Y | A | 0.2706 | |
| 114 | I | A | -0.4823 | |
| 115 | E | A | -1.6130 | |
| 116 | P | A | -1.1562 | |
| 117 | T | A | -1.1848 | |
| 118 | Q | A | -1.7274 | |
| 119 | E | A | -1.0608 | |
| 120 | A | A | -0.2933 | |
| 121 | I | A | 0.4751 | |
| 122 | P | A | 0.4282 | |
| 123 | F | A | 1.4728 | |
| 124 | L | A | 2.2435 | |
| 125 | M | A | 1.8256 | |
| 126 | L | A | 0.0000 | |
| 127 | L | A | 1.8544 | |
| 128 | S | A | 1.7245 | |
| 129 | L | A | 2.4744 | |
| 130 | A | A | 0.0000 | |
| 131 | F | A | 1.9591 | |
| 132 | A | A | 1.6703 | |
| 133 | G | A | 1.4341 | |
| 134 | P | A | 0.0000 | |
| 135 | A | A | 1.8225 | |
| 136 | I | A | 2.8742 | |
| 137 | T | A | 1.5932 | |
| 138 | I | A | 0.0000 | |
| 139 | M | A | 2.2329 | |
| 140 | V | A | 2.7148 | |
| 141 | G | A | 0.0000 | |
| 142 | E | A | 0.0000 | |
| 143 | G | A | 2.0633 | |
| 144 | I | A | 2.7772 | |
| 145 | L | A | 1.9170 | |
| 146 | Y | A | 1.5423 | |
| 147 | C | A | 0.9079 | |
| 148 | C | A | 0.2830 | |
| 149 | L | A | -0.1198 | |
| 150 | S | A | -1.4312 | |
| 151 | K | A | -3.0953 | |
| 152 | R | A | -3.5623 | |
| 153 | R | A | -3.7314 | |
| 154 | N | A | -3.2929 | |
| 155 | G | A | -2.5328 | |
| 156 | A | A | -1.2263 | |
| 157 | G | A | -0.6543 | |
| 158 | L | A | 0.0745 | |
| 159 | E | A | -1.3928 | |
| 160 | P | A | -1.2779 | |
| 161 | N | A | -1.0260 | |
| 162 | I | A | 0.4187 | |
| 163 | N | A | -0.8338 | |
| 164 | A | A | -0.4067 | |
| 165 | G | A | -0.4977 | |
| 166 | G | A | -0.3424 | |
| 167 | C | A | 0.3057 | |
| 168 | N | A | -0.3456 | |
| 169 | F | A | 1.1296 | |
| 170 | N | A | -0.6173 | |
| 171 | S | A | -0.5044 | |
| 172 | F | A | 0.5244 | |
| 173 | L | A | 0.5042 | |
| 174 | R | A | -0.5369 | |
| 175 | R | A | -1.4207 | |
| 176 | A | A | 0.0000 | |
| 177 | V | A | -0.2075 | |
| 178 | R | A | -1.4280 | |
| 179 | F | A | 0.0000 | |
| 180 | V | A | 0.4152 | |
| 181 | G | A | -0.2018 | |
| 182 | V | A | 0.0644 | |
| 183 | H | A | 0.0000 | |
| 184 | V | A | 0.0000 | |
| 185 | F | A | 1.0714 | |
| 186 | G | A | 0.0000 | |
| 187 | L | A | 0.0000 | |
| 188 | C | A | 0.0000 | |
| 189 | S | A | 0.8877 | |
| 190 | T | A | 0.0000 | |
| 191 | A | A | 0.0000 | |
| 192 | L | A | 1.3693 | |
| 193 | I | A | 1.9588 | |
| 194 | T | A | 0.0000 | |
| 195 | D | A | 0.0000 | |
| 196 | I | A | 2.4909 | |
| 197 | I | A | 1.7226 | |
| 198 | Q | A | 0.0000 | |
| 199 | L | A | 1.1358 | |
| 200 | S | A | 0.8903 | |
| 201 | T | A | 0.7926 | |
| 202 | G | A | 0.0000 | |
| 203 | Y | A | 0.7511 | |
| 204 | Q | A | 0.0000 | |
| 205 | A | A | 0.0000 | |
| 206 | P | A | 0.0000 | |
| 207 | Y | A | 0.0000 | |
| 208 | F | A | 0.0000 | |
| 209 | L | A | 0.0000 | |
| 210 | T | A | -0.3641 | |
| 211 | V | A | -0.3250 | |
| 212 | C | A | 0.0000 | |
| 213 | K | A | -1.9172 | |
| 214 | P | A | -1.2643 | |
| 215 | N | A | -1.3611 | |
| 216 | Y | A | -0.3020 | |
| 217 | T | A | -0.3722 | |
| 218 | S | A | -0.8112 | |
| 219 | L | A | -0.8616 | |
| 220 | N | A | -1.1214 | |
| 221 | V | A | -0.8843 | |
| 222 | S | A | -1.2383 | |
| 223 | C | A | -1.1786 | |
| 224 | K | A | -2.5932 | |
| 225 | E | A | -2.7602 | |
| 226 | N | A | -1.7808 | |
| 227 | S | A | -0.6772 | |
| 228 | Y | A | 0.7957 | |
| 229 | I | A | 0.0000 | |
| 230 | V | A | 1.0205 | |
| 231 | E | A | -1.0255 | |
| 232 | D | A | -1.9446 | |
| 233 | I | A | 0.0000 | |
| 234 | C | A | -1.3069 | |
| 235 | S | A | -1.1620 | |
| 236 | G | A | -0.8797 | |
| 237 | S | A | -0.6443 | |
| 238 | D | A | -0.5235 | |
| 239 | L | A | 0.8981 | |
| 240 | T | A | -0.1240 | |
| 241 | V | A | 0.1629 | |
| 242 | I | A | 0.0000 | |
| 243 | N | A | -0.4024 | |
| 244 | S | A | -0.1576 | |
| 245 | G | A | 0.0000 | |
| 246 | R | A | 0.0000 | |
| 247 | K | A | 0.1005 | |
| 248 | S | A | 0.0000 | |
| 249 | F | A | 0.8674 | |
| 250 | P | A | 0.0000 | |
| 251 | S | A | 0.0000 | |
| 252 | Q | A | 0.2467 | |
| 253 | H | A | 0.0000 | |
| 254 | A | A | 0.0000 | |
| 255 | T | A | 0.0000 | |
| 256 | L | A | 0.0000 | |
| 257 | A | A | 0.0000 | |
| 258 | A | A | 0.0000 | |
| 259 | F | A | 0.0000 | |
| 260 | A | A | 0.0000 | |
| 261 | A | A | 0.0000 | |
| 262 | V | A | 0.7675 | |
| 263 | Y | A | 0.0000 | |
| 264 | V | A | 0.0000 | |
| 265 | S | A | 0.3459 | |
| 266 | M | A | 0.1398 | |
| 267 | Y | A | 0.0000 | |
| 268 | F | A | 0.0000 | |
| 269 | N | A | -1.0459 | |
| 270 | S | A | -0.3913 | |
| 271 | T | A | 0.0000 | |
| 272 | L | A | -0.7530 | |
| 273 | T | A | -1.4729 | |
| 274 | D | A | -2.1450 | |
| 275 | S | A | -1.1273 | |
| 276 | S | A | -0.8862 | |
| 277 | K | A | -1.1622 | |
| 278 | L | A | 1.0962 | |
| 279 | L | A | 1.1213 | |
| 280 | K | A | 0.1556 | |
| 281 | P | A | 1.1898 | |
| 282 | L | A | 2.3967 | |
| 283 | L | A | 1.9866 | |
| 284 | V | A | 1.9777 | |
| 285 | F | A | 3.3246 | |
| 286 | T | A | 2.5476 | |
| 287 | F | A | 2.5269 | |
| 288 | I | A | 2.8957 | |
| 289 | I | A | 3.5530 | |
| 290 | C | A | 2.8523 | |
| 291 | G | A | 0.0000 | |
| 292 | I | A | 2.8184 | |
| 293 | I | A | 2.8040 | |
| 294 | C | A | 0.0000 | |
| 295 | G | A | 0.0000 | |
| 296 | L | A | 2.0461 | |
| 297 | T | A | 1.0630 | |
| 298 | R | A | 0.5855 | |
| 299 | I | A | 1.0376 | |
| 300 | T | A | 0.4883 | |
| 301 | Q | A | 0.1737 | |
| 302 | Y | A | 0.7846 | |
| 303 | K | A | 0.0000 | |
| 304 | N | A | 0.0000 | |
| 305 | H | A | 0.7718 | |
| 306 | P | A | 1.1530 | |
| 307 | V | A | 2.1045 | |
| 308 | D | A | 0.0000 | |
| 309 | V | A | 0.0000 | |
| 310 | Y | A | 2.6181 | |
| 311 | C | A | 1.9853 | |
| 312 | G | A | 0.0000 | |
| 313 | F | A | 1.9447 | |
| 314 | L | A | 2.1473 | |
| 315 | I | A | 1.6755 | |
| 316 | G | A | 0.0000 | |
| 317 | G | A | 1.2219 | |
| 318 | G | A | 1.2479 | |
| 319 | I | A | 1.3947 | |
| 320 | A | A | 0.0000 | |
| 321 | L | A | 2.3582 | |
| 322 | Y | A | 2.5408 | |
| 323 | L | A | 0.0000 | |
| 324 | G | A | 0.0000 | |
| 325 | L | A | 2.0693 | |
| 326 | Y | A | 1.9176 | |
| 327 | A | A | 0.8467 | |
| 328 | V | A | 0.0000 | |
| 329 | G | A | 0.1803 | |
| 330 | N | A | -0.2344 | |
| 331 | F | A | 0.3830 | |
| 332 | L | A | 0.6896 | |
| 333 | P | A | -0.4755 | |
| 334 | S | A | -1.2964 | |
| 335 | E | A | -2.3676 | |
| 336 | D | A | -2.7935 | |
| 337 | S | A | -1.9422 | |
| 338 | M | A | -1.6755 | |
| 339 | L | A | -1.3491 | |
| 340 | Q | A | -2.7521 | |
| 341 | H | A | -2.7040 | |
| 342 | R | A | -2.9136 | |
| 343 | D | A | -2.9222 | |
| 344 | A | A | -1.3712 | |
| 345 | L | A | -0.4827 | |
| 346 | R | A | -2.5186 | |
| 347 | S | A | -1.0328 | |
| 348 | L | A | 0.3923 | |
| 349 | T | A | -1.1690 | |
| 350 | D | A | -2.1157 | |
| 351 | L | A | -0.4064 | |
| 352 | N | A | -2.0676 | |
| 353 | Q | A | -2.7083 | |
| 354 | D | A | -3.0856 | |
| 355 | P | A | -1.6943 | |
| 356 | S | A | -1.2439 | |
| 357 | R | A | -1.1665 | |
| 358 | V | A | 1.2888 | |
| 359 | L | A | 1.5972 | |
| 360 | S | A | 0.2027 | |
| 361 | A | A | -0.8707 | |
| 362 | K | A | -2.2655 | |
| 363 | N | A | -2.3574 | |
| 364 | G | A | -1.6096 | |
| 365 | S | A | -0.9028 | |
| 366 | S | A | -1.0239 | |
| 367 | G | A | -1.5908 | |
| 368 | D | A | -1.7980 | |
| 369 | G | A | -0.4557 | |
| 370 | I | A | 1.1858 | |
| 371 | A | A | 0.4708 | |
| 372 | H | A | -0.9966 | |
| 373 | T | A | -1.5883 | |
| 374 | E | A | -1.8369 | |
| 375 | G | A | -0.0875 | |
| 376 | I | A | 1.8016 | |
| 377 | L | A | 1.3872 | |
| 378 | N | A | -1.4370 | |
| 379 | R | A | -3.0247 | |
| 380 | N | A | -3.2845 | |
| 381 | H | A | -3.2929 | |
| 382 | R | A | -3.4876 | |
| 383 | D | A | -2.9143 | |
| 384 | A | A | -1.3103 | |
| 385 | S | A | -0.3696 | |
| 386 | S | A | 0.4154 | |
| 387 | L | A | 1.1048 | |
| 388 | T | A | 0.4360 | |
| 389 | N | A | -0.5944 | |
| 390 | L | A | -0.5284 | |
| 391 | K | A | -1.9627 | |
| 392 | R | A | -2.5475 | |
| 393 | A | A | -2.0591 | |
| 394 | N | A | -2.1487 | |
| 395 | A | A | -1.4940 | |
| 396 | D | A | -1.6004 | |
| 397 | V | A | 0.4910 | |
| 398 | E | A | 0.0665 | |
| 399 | I | A | 2.4813 | |
| 400 | I | A | 2.5294 | |
| 401 | T | A | 0.8685 | |
| 402 | P | A | -0.8265 | |
| 403 | R | A | -2.1321 | |
| 404 | S | A | -1.0876 | |
| 405 | P | A | -0.3228 | |
| 406 | M | A | 0.2679 | |
| 407 | G | A | -1.0930 | |
| 408 | K | A | -2.6265 | |
| 409 | E | A | -2.3955 | |
| 410 | S | A | -0.5131 | |
| 411 | M | A | 1.3463 | |
| 412 | V | A | 2.4692 | |
| 413 | T | A | 1.9347 | |
| 414 | F | A | 1.9127 | |
| 415 | S | A | 0.0842 | |
| 416 | N | A | -0.6034 | |
| 417 | T | A | 0.1475 | |
| 418 | L | A | 0.6821 | |
| 419 | P | A | -0.3174 | |
| 420 | R | A | -1.8743 | |
| 421 | A | A | -1.6415 | |
| 422 | N | A | -1.7252 | |
| 423 | T | A | -0.8606 | |
| 424 | P | A | -0.2930 | |
| 425 | S | A | -0.0047 | |
| 426 | V | A | 0.2310 | |
| 427 | E | A | -1.8021 | |
| 428 | D | A | -2.0756 | |
| 429 | P | A | -0.9520 | |
| 430 | V | A | 0.0883 | |
| 431 | R | A | -2.2422 | |
| 432 | R | A | -3.1320 | |
| 433 | N | A | -2.7429 | |
| 434 | A | A | -0.9069 | |
| 435 | S | A | 0.2770 | |
| 436 | I | A | 1.4335 | |
| 437 | H | A | 0.0395 | |
| 438 | A | A | 0.1737 | |
| 439 | S | A | -0.0842 | |
| 440 | M | A | -0.2017 | |
| 441 | D | A | -1.7174 | |
| 442 | S | A | -1.7840 | |
| 443 | A | A | -1.9023 | |
| 444 | R | A | -2.7089 | |
| 445 | S | A | -1.7617 | |
| 446 | K | A | -2.5255 | |
| 447 | Q | A | -2.2911 | |
| 448 | L | A | -0.5754 | |
| 449 | L | A | -0.5021 | |
| 450 | T | A | -1.4909 | |
| 451 | Q | A | -1.5963 | |
| 452 | W | A | -1.1062 | |
| 453 | K | A | -2.5776 | |
| 454 | S | A | -3.0073 | |
| 455 | K | A | -3.6604 | |
| 456 | N | A | -3.8067 | |
| 457 | E | A | -3.9359 | |
| 458 | S | A | -3.0703 | |
| 459 | R | A | -3.5549 | |
| 460 | K | A | -2.8876 | |
| 461 | M | A | -0.6228 | |
| 462 | S | A | -0.2198 | |
| 463 | L | A | 0.4354 | |
| 464 | Q | A | -0.1636 | |
| 465 | V | A | 1.3925 | |
| 466 | M | A | 0.8650 | |
| 467 | D | A | -1.2714 | |
| 468 | T | A | -1.4019 | |
| 469 | E | A | -2.3663 | |
| 470 | P | A | -2.1069 | |
| 471 | E | A | -2.7868 | |
| 472 | G | A | -2.0046 | |
| 473 | Q | A | -1.9830 | |
| 474 | S | A | -1.3019 | |
| 475 | P | A | -1.0988 | |
| 476 | P | A | -1.3592 | |
| 477 | R | A | -1.7049 | |
| 478 | S | A | -0.5284 | |
| 479 | I | A | 0.8852 | |
| 480 | E | A | -0.7758 | |
| 481 | M | A | -0.3181 | |
| 482 | R | A | -1.8669 | |
| 483 | S | A | -1.0126 | |
| 484 | S | A | -1.1665 | |
| 485 | S | A | -1.3034 | |
| 486 | E | A | -2.1457 | |
| 487 | P | A | -1.7536 | |
| 488 | S | A | -1.2382 | |
| 489 | R | A | -1.2671 | |
| 490 | V | A | 0.9773 | |
| 491 | G | A | 0.6508 | |
| 492 | V | A | 1.2446 | |
| 493 | N | A | -1.1335 | |
| 494 | G | A | -1.7706 | |
| 495 | D | A | -2.9433 | |
| 496 | H | A | -2.0526 | |
| 497 | H | A | -0.9474 | |
| 498 | V | A | 0.8284 | |
| 499 | P | A | 0.0509 | |
| 500 | G | A | -1.0662 | |
| 501 | N | A | -1.8755 | |
| 502 | Q | A | -0.9171 | |
| 503 | Y | A | 0.8424 | |
| 504 | L | A | 1.5629 | |
| 505 | K | A | 0.0367 | |
| 506 | I | A | 0.8670 | |
| 507 | Q | A | -0.8392 | |
| 508 | P | A | -0.7165 | |
| 509 | G | A | -0.3660 | |
| 510 | T | A | 0.3458 | |
| 511 | V | A | 1.3960 | |
| 512 | P | A | 0.6332 | |
| 513 | G | A | -0.1600 | |
| 514 | C | A | -0.4330 | |
| 515 | N | A | -1.7156 | |
| 516 | N | A | -1.6148 | |
| 517 | S | A | -0.6748 | |
| 518 | M | A | 0.4531 | |
| 519 | P | A | -0.1163 | |
| 520 | G | A | -0.9223 | |
| 521 | G | A | -1.1038 | |
| 522 | P | A | -1.0427 | |
| 523 | R | A | -1.0598 | |
| 524 | V | A | 1.0677 | |
| 525 | S | A | 0.6744 | |
| 526 | I | A | 1.2582 | |
| 527 | Q | A | -0.7069 | |
| 528 | S | A | -1.3095 | |
| 529 | R | A | -2.2623 | |
| 530 | P | A | -1.6536 | |
| 531 | G | A | -1.3983 | |
| 532 | S | A | -0.9650 | |
| 533 | S | A | -0.4105 | |
| 534 | Q | A | -0.2642 | |
| 535 | L | A | 1.7727 | |
| 536 | V | A | 2.1620 | |
| 537 | H | A | 0.7897 | |
| 538 | I | A | 1.3649 | |
| 539 | P | A | -0.7295 | |
| 540 | E | A | -2.5695 | |
| 541 | E | A | -3.0736 | |
| 542 | T | A | -2.6828 | |
| 543 | Q | A | -2.8726 | |
| 544 | E | A | -2.7616 | |
| 545 | N | A | -1.5315 | |
| 546 | I | A | 0.6769 | |
| 547 | S | A | 0.0650 | |
| 548 | T | A | -0.1845 | |
| 549 | S | A | -0.7121 | |
| 550 | P | A | -1.3333 | |
| 551 | K | A | -2.2747 | |
| 552 | S | A | -1.6518 | |
| 553 | S | A | -1.7240 | |
| 554 | S | A | -1.6253 | |
| 555 | A | A | -1.6908 | |
| 556 | R | A | -2.2769 | |
| 557 | A | A | -1.5092 | |
| 558 | K | A | -1.9555 | |
| 559 | W | A | -0.7483 | |
| 560 | L | A | -1.0397 | |
| 561 | K | A | -2.4305 | |
| 562 | A | A | -1.5178 | |
| 563 | A | A | -1.0572 | |
| 564 | E | A | -2.0433 | |
| 565 | K | A | -1.9359 | |
| 566 | T | A | -0.7319 | |
| 567 | V | A | 0.6391 | |
| 568 | A | A | -0.2643 | |
| 569 | C | A | -0.5042 | |
| 570 | N | A | -1.7102 | |
| 571 | R | A | -2.6431 | |
| 572 | S | A | -2.1578 | |
| 573 | N | A | -2.7940 | |
| 574 | N | A | -2.5795 | |
| 575 | Q | A | -2.5723 | |
| 576 | P | A | -1.5300 | |
| 577 | R | A | -1.0227 | |
| 578 | I | A | 1.3077 | |
| 579 | M | A | 1.3306 | |
| 580 | Q | A | 1.0526 | |
| 581 | V | A | 2.4185 | |
| 582 | I | A | 2.9093 | |
| 583 | A | A | 1.9188 | |
| 584 | M | A | 1.0926 | |
| 585 | S | A | -0.7641 | |
| 586 | K | A | -2.5548 | |
| 587 | Q | A | -2.8728 | |
| 588 | Q | A | -1.9846 | |
| 589 | G | A | 0.0072 | |
| 590 | V | A | 1.7432 | |
| 591 | L | A | 1.5994 | |
| 592 | Q | A | -0.1350 | |
| 593 | S | A | -0.6378 | |
| 594 | S | A | -1.0445 | |
| 595 | P | A | -1.4787 | |
| 596 | K | A | -2.4709 | |
| 597 | N | A | -2.5493 | |
| 598 | A | A | -2.0091 | |
| 599 | E | A | -2.3891 | |
| 600 | G | A | -1.7804 | |
| 601 | S | A | -0.5051 | |
| 602 | T | A | 0.4597 | |
| 603 | V | A | 1.8060 | |
| 604 | T | A | 1.1167 | |
| 605 | C | A | 0.9069 | |
| 606 | T | A | 0.1658 | |
| 607 | G | A | -0.1876 | |
| 608 | S | A | 0.1300 | |
| 609 | I | A | 1.0410 | |
| 610 | R | A | -0.7639 | |
| 611 | Y | A | 0.2088 | |
| 612 | K | A | -0.9715 | |
| 613 | T | A | -0.2213 | |
| 614 | L | A | 0.7465 | |
| 615 | T | A | -0.6406 | |
| 616 | D | A | -2.3041 | |
| 617 | H | A | -2.8294 | |
| 618 | E | A | -2.9092 | |
| 619 | P | A | -1.3422 | |
| 620 | S | A | -0.3117 | |
| 621 | G | A | 0.6116 | |
| 622 | I | A | 2.2906 | |
| 623 | V | A | 2.3949 | |
| 624 | R | A | 0.0179 | |
| 625 | V | A | 1.0168 | |
| 626 | E | A | -1.5848 | |
| 627 | A | A | -1.3118 | |
| 628 | H | A | -2.2423 | |
| 629 | P | A | -2.7360 | |
| 630 | E | A | -3.3902 | |
| 631 | N | A | -3.5284 | |
| 632 | N | A | -3.2643 | |
| 633 | R | A | -2.5404 | |
| 634 | P | A | -0.3093 | |
| 635 | I | A | 2.1607 | |
| 636 | I | A | 2.8852 | |
| 637 | Q | A | 1.1661 | |
| 638 | I | A | 1.8774 | |
| 639 | P | A | 0.2746 | |
| 640 | S | A | -0.0929 | |
| 641 | S | A | -0.5904 | |
| 642 | T | A | -1.2082 | |
| 643 | E | A | -2.5141 | |
| 644 | G | A | -2.3356 | |
| 645 | E | A | -2.7515 | |
| 646 | G | A | -1.6986 | |
| 647 | S | A | -0.9607 | |
| 648 | G | A | -0.9150 | |
| 649 | S | A | -0.3031 | |
| 650 | W | A | 0.2120 | |
| 651 | K | A | -1.1109 | |
| 652 | W | A | -0.1912 | |
| 653 | K | A | -1.6888 | |
| 654 | A | A | -1.4441 | |
| 655 | P | A | -1.7992 | |
| 656 | E | A | -3.0530 | |
| 657 | K | A | -2.6151 | |
| 658 | S | A | -1.4700 | |
| 659 | S | A | -0.8556 | |
| 660 | L | A | 0.0282 | |
| 661 | R | A | -1.6507 | |
| 662 | Q | A | -1.5776 | |
| 663 | T | A | -0.6229 | |
| 664 | Y | A | 0.1084 | |
| 665 | E | A | -0.8661 | |
| 666 | L | A | 0.2375 | |
| 667 | N | A | -1.4102 | |
| 668 | D | A | -2.1474 | |
| 669 | L | A | -0.7372 | |
| 670 | N | A | -2.5210 | |
| 671 | R | A | -3.5476 | |
| 672 | D | A | -3.3512 | |
| 673 | S | A | -2.6598 | |
| 674 | E | A | -2.4912 | |
| 675 | S | A | -1.3858 | |
| 676 | C | A | -0.6910 | |
| 677 | E | A | -1.2751 | |
| 678 | S | A | -0.5310 | |
| 679 | L | A | -0.1590 | |
| 680 | K | A | -2.0934 | |
| 681 | D | A | -2.1510 | |
| 682 | S | A | -0.5853 | |
| 683 | F | A | 1.2015 | |
| 684 | G | A | 0.2436 | |
| 685 | S | A | -0.6888 | |
| 686 | G | A | -2.0950 | |
| 687 | D | A | -3.3137 | |
| 688 | R | A | -4.0605 | |
| 689 | K | A | -4.0450 | |
| 690 | R | A | -3.5514 | |
| 691 | S | A | -1.7234 | |
| 692 | N | A | -1.1919 | |
| 693 | I | A | 0.3459 | |
| 694 | D | A | -1.3524 | |
| 695 | S | A | -1.6925 | |
| 696 | N | A | -2.8475 | |
| 697 | E | A | -3.2030 | |
| 698 | H | A | -2.8581 | |
| 699 | H | A | -2.5775 | |
| 700 | H | A | -2.2806 | |
| 701 | H | A | -1.5078 | |
| 702 | G | A | -0.2236 | |
| 703 | I | A | 1.5313 | |
| 704 | T | A | 1.0440 | |
| 705 | T | A | 1.0730 | |
| 706 | I | A | 1.5022 | |
| 707 | R | A | -0.0755 | |
| 708 | V | A | 1.4856 | |
| 709 | T | A | 0.6577 | |
| 710 | P | A | 0.2978 | |
| 711 | V | A | 0.8063 | |
| 712 | E | A | -1.4807 | |
| 713 | G | A | -1.3991 | |
| 714 | S | A | -1.1892 | |
| 715 | E | A | -1.3620 | |
| 716 | I | A | 0.8210 | |
| 717 | G | A | -0.3671 | |
| 718 | S | A | -1.0658 | |
| 719 | E | A | -1.7365 | |
| 720 | T | A | -0.2976 | |
| 721 | L | A | 1.3822 | |
| 722 | S | A | 1.2980 | |
| 723 | V | A | 1.8139 | |
| 724 | S | A | 0.5185 | |
| 725 | S | A | -0.4083 | |
| 726 | S | A | -1.6990 | |
| 727 | R | A | -2.9059 | |
| 728 | D | A | -2.8519 | |
| 729 | S | A | -1.2145 | |
| 730 | T | A | -0.4714 | |
| 731 | L | A | -0.0620 | |
| 732 | R | A | -2.4764 | |
| 733 | R | A | -3.2877 | |
| 734 | K | A | -3.1934 | |
| 735 | G | A | -1.8605 | |
| 736 | N | A | -0.2011 | |
| 737 | I | A | 2.6463 | |
| 738 | I | A | 3.8120 | |
| 739 | L | A | 3.6056 | |
| 740 | I | A | 2.9702 | |
| 741 | P | A | 0.0125 | |
| 742 | E | A | -2.4828 | |
| 743 | R | A | -3.1865 | |
| 744 | S | A | -2.2059 | |
| 745 | N | A | -2.1282 | |
| 746 | S | A | -1.4383 | |
| 747 | P | A | -1.8861 | |
| 748 | E | A | -2.6244 | |
| 749 | N | A | -2.6100 | |
| 750 | T | A | -2.2763 | |
| 751 | R | A | -2.3296 | |
| 752 | N | A | -0.7511 | |
| 753 | I | A | 2.2331 | |
| 754 | F | A | 2.9146 | |
| 755 | Y | A | 1.6008 | |
| 756 | K | A | -0.7982 | |
| 757 | G | A | -1.1287 | |
| 758 | T | A | -0.8693 | |
| 759 | S | A | -0.4923 | |
| 760 | P | A | -0.8497 | |
| 761 | T | A | -1.2709 | |
| 762 | R | A | -1.6516 | |
| 763 | A | A | -0.7859 | |
| 764 | Y | A | -0.3594 | |
| 765 | K | A | -2.0278 | |
| 766 | D | A | -2.4559 |
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 | -0.2941 | 6.8798 | View | CSV | PDB |
| 4.5 | -0.3563 | 6.8299 | View | CSV | PDB |
| 5.0 | -0.4339 | 6.7603 | View | CSV | PDB |
| 5.5 | -0.511 | 6.6826 | View | CSV | PDB |
| 6.0 | -0.5703 | 6.6089 | View | CSV | PDB |
| 6.5 | -0.6011 | 6.5512 | View | CSV | PDB |
| 7.0 | -0.6043 | 6.5173 | View | CSV | PDB |
| 7.5 | -0.5895 | 6.5024 | View | CSV | PDB |
| 8.0 | -0.5646 | 6.4968 | View | CSV | PDB |
| 8.5 | -0.5322 | 6.5034 | View | CSV | PDB |
| 9.0 | -0.4921 | 6.5224 | 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