| Chain sequence(s) | MEIIRSNFKINLPKVYQAIEEADFFAIDGEFSGISDGPSVTALTSGFDTPEERYQKLKKHSMDFLLFQFGLCAFKYDHANSKHVTKSFNFYVFPKPFSRSSPDVKFVCQSSSIDFLASQGFDFNKVFCSGIPYLNQEEERQLREQFDEKRSQANGAGALTKCPVTIPEDQKKFIDQVIEKIEGFLQREEKRTLELNPCTGFQRKLIYQTLSWKYPKGIHVETLETDKKERHIVISKVDEEERKRREQEKYAKEQEELNDAVGFSRVIHAIANSGKLVVGHNMLLDVMHTIHQFYCPLPVDLNEFKEMTTCVFPRLLDTKLMASTQPFKDIINNTSLAELEKRLKETPFDPPKVESAEGFPSYDTASEQLHEAGYDAYITGLCFISMANYLGSLLSPPKTCVSARSKLIEPFFNKLFLMRVMDIPYLNLEGPDLQPKRDHVLHVTFPKEWKTSDLYQLFSAFGNIQISWIDDTSAFVSLSQPEQVQIAVNTSKYAESYRIQTYAEYVGKKQESKQVKRKWTEDSWKEVDRKRPHVPGPCYHTNRHTRREHQIPFITDGCEPPCGCWQLNSGPLEEQSAL input PDB |
| Selected Chain(s) | A |
| Distance of aggregation | 10 Å |
| FoldX usage | Yes |
| pH calculations | Yes |
| Dynamic mode | No |
| Automated mutations | No |
| Downloads | Download all the data |
| Simulation log |
[INFO] Logger: Verbosity set to: 2 - [INFO] (00:00:02)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:02)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with A chain(s) selected (00:00:02)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:02)
[INFO] PDB-Info: The input structure is partially or entirely disordered. Average score is
recommended for pH analysis. (00:00:07)
[INFO] FoldX: Starting FoldX energy minimization (00:00:07)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:42:36)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/6dacccf1e61c4a/tmp/folded.pdb (00:42:36)
[INFO] Main: Simulation completed successfully. (00:55:08)
|
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 | -0.3894 | |
| 2 | E | A | -1.0468 | |
| 3 | I | A | 0.0000 | |
| 4 | I | A | -0.6999 | |
| 5 | R | A | -0.9904 | |
| 6 | S | A | -0.6942 | |
| 7 | N | A | -0.5957 | |
| 8 | F | A | 0.0000 | |
| 9 | K | A | -1.2733 | |
| 10 | I | A | 0.7307 | |
| 11 | N | A | -0.1709 | |
| 12 | L | A | -0.4878 | |
| 13 | P | A | -0.7277 | |
| 14 | K | A | -1.5746 | |
| 15 | V | A | 0.0000 | |
| 16 | Y | A | -1.0223 | |
| 17 | Q | A | -2.0611 | |
| 18 | A | A | 0.0000 | |
| 19 | I | A | 0.0000 | |
| 20 | E | A | -2.7354 | |
| 21 | E | A | -2.1130 | |
| 22 | A | A | 0.0000 | |
| 23 | D | A | -1.5688 | |
| 24 | F | A | 0.0000 | |
| 25 | F | A | 0.0000 | |
| 26 | A | A | 0.0000 | |
| 27 | I | A | 0.0000 | |
| 28 | D | A | -0.5250 | |
| 29 | G | A | 0.0000 | |
| 30 | E | A | -0.2849 | |
| 31 | F | A | 0.3577 | |
| 32 | S | A | 0.0000 | |
| 33 | G | A | 0.0000 | |
| 34 | I | A | 0.1015 | |
| 35 | S | A | -1.1331 | |
| 36 | D | A | -2.3792 | |
| 37 | G | A | -1.3289 | |
| 38 | P | A | -0.7447 | |
| 39 | S | A | -0.2474 | |
| 40 | V | A | 0.1814 | |
| 41 | T | A | -0.0328 | |
| 42 | A | A | 0.0200 | |
| 43 | L | A | 0.0000 | |
| 44 | T | A | 0.0000 | |
| 45 | S | A | -0.0145 | |
| 46 | G | A | -0.3608 | |
| 47 | F | A | 0.0000 | |
| 48 | D | A | 0.0000 | |
| 49 | T | A | -0.5768 | |
| 50 | P | A | -0.6472 | |
| 51 | E | A | -1.2606 | |
| 52 | E | A | -1.0903 | |
| 53 | R | A | 0.0000 | |
| 54 | Y | A | 0.0000 | |
| 55 | Q | A | -1.3609 | |
| 56 | K | A | -1.5359 | |
| 57 | L | A | 0.0000 | |
| 58 | K | A | -1.4985 | |
| 59 | K | A | -2.7040 | |
| 60 | H | A | -2.2155 | |
| 61 | S | A | 0.0000 | |
| 62 | M | A | 0.0000 | |
| 63 | D | A | -2.3144 | |
| 64 | F | A | 0.0000 | |
| 65 | L | A | 0.0000 | |
| 66 | L | A | 0.0000 | |
| 67 | F | A | 0.0000 | |
| 68 | Q | A | 0.0000 | |
| 69 | F | A | 0.0000 | |
| 70 | G | A | 0.0000 | |
| 71 | L | A | 0.0000 | |
| 72 | C | A | 0.0000 | |
| 73 | A | A | 0.0000 | |
| 74 | F | A | 0.0000 | |
| 75 | K | A | -1.4164 | |
| 76 | Y | A | -1.3502 | |
| 77 | D | A | -1.5660 | |
| 78 | H | A | -1.7742 | |
| 79 | A | A | -1.2899 | |
| 80 | N | A | -2.0909 | |
| 81 | S | A | -1.7093 | |
| 82 | K | A | -2.1597 | |
| 83 | H | A | -1.5939 | |
| 84 | V | A | -1.2710 | |
| 85 | T | A | 0.0000 | |
| 86 | K | A | -0.8931 | |
| 87 | S | A | 0.0000 | |
| 88 | F | A | 0.0000 | |
| 89 | N | A | 0.0000 | |
| 90 | F | A | 0.0000 | |
| 91 | Y | A | 0.0000 | |
| 92 | V | A | 0.0000 | |
| 93 | F | A | 0.2569 | |
| 94 | P | A | 0.0000 | |
| 95 | K | A | -0.5729 | |
| 96 | P | A | -0.9054 | |
| 97 | F | A | -0.3903 | |
| 98 | S | A | -1.0627 | |
| 99 | R | A | -2.1667 | |
| 100 | S | A | -1.3549 | |
| 101 | S | A | -1.0959 | |
| 102 | P | A | -1.4271 | |
| 103 | D | A | -2.1287 | |
| 104 | V | A | -0.8552 | |
| 105 | K | A | -1.6826 | |
| 106 | F | A | -0.7215 | |
| 107 | V | A | -0.4648 | |
| 108 | C | A | 0.2081 | |
| 109 | Q | A | -0.5672 | |
| 110 | S | A | -0.5752 | |
| 111 | S | A | -0.6231 | |
| 112 | S | A | -0.2533 | |
| 113 | I | A | -0.3205 | |
| 114 | D | A | -1.5818 | |
| 115 | F | A | -0.4824 | |
| 116 | L | A | 0.0000 | |
| 117 | A | A | -0.7643 | |
| 118 | S | A | -0.7899 | |
| 119 | Q | A | -1.2759 | |
| 120 | G | A | -0.9538 | |
| 121 | F | A | -0.8902 | |
| 122 | D | A | -1.0935 | |
| 123 | F | A | -0.4435 | |
| 124 | N | A | -1.0702 | |
| 125 | K | A | -0.9351 | |
| 126 | V | A | 0.0000 | |
| 127 | F | A | 0.4066 | |
| 128 | C | A | 0.3812 | |
| 129 | S | A | -0.2548 | |
| 130 | G | A | 0.0000 | |
| 131 | I | A | 0.0000 | |
| 132 | P | A | -0.2794 | |
| 133 | Y | A | -0.1341 | |
| 134 | L | A | -0.6224 | |
| 135 | N | A | -0.9431 | |
| 136 | Q | A | -1.6041 | |
| 137 | E | A | -2.5343 | |
| 138 | E | A | -2.3243 | |
| 139 | E | A | -2.4900 | |
| 140 | R | A | -3.8195 | |
| 141 | Q | A | -3.6601 | |
| 142 | L | A | -2.6651 | |
| 143 | R | A | -3.4933 | |
| 144 | E | A | -4.6830 | |
| 145 | Q | A | -3.8595 | |
| 146 | F | A | -3.3669 | |
| 147 | D | A | -4.7029 | |
| 148 | E | A | -4.9803 | |
| 149 | K | A | -4.5244 | |
| 150 | R | A | -4.0910 | |
| 151 | S | A | -3.4559 | |
| 152 | Q | A | -3.4481 | |
| 153 | A | A | -2.6195 | |
| 154 | N | A | -2.4495 | |
| 155 | G | A | -1.1938 | |
| 156 | A | A | -1.0407 | |
| 157 | G | A | -0.5855 | |
| 158 | A | A | 0.1634 | |
| 159 | L | A | 0.8664 | |
| 160 | T | A | 0.1596 | |
| 161 | K | A | -0.7711 | |
| 162 | C | A | 0.2757 | |
| 163 | P | A | -0.0784 | |
| 164 | V | A | 0.4482 | |
| 165 | T | A | 0.0333 | |
| 166 | I | A | -1.0044 | |
| 167 | P | A | -1.8361 | |
| 168 | E | A | -3.3368 | |
| 169 | D | A | -3.3399 | |
| 170 | Q | A | -2.3668 | |
| 171 | K | A | -3.1761 | |
| 172 | K | A | -3.0601 | |
| 173 | F | A | -1.8745 | |
| 174 | I | A | 0.0000 | |
| 175 | D | A | -2.1341 | |
| 176 | Q | A | -2.4641 | |
| 177 | V | A | 0.0000 | |
| 178 | I | A | -2.1815 | |
| 179 | E | A | -3.3178 | |
| 180 | K | A | -3.2819 | |
| 181 | I | A | 0.0000 | |
| 182 | E | A | -3.1402 | |
| 183 | G | A | -2.5850 | |
| 184 | F | A | 0.0000 | |
| 185 | L | A | -2.6234 | |
| 186 | Q | A | -3.1110 | |
| 187 | R | A | -4.4652 | |
| 188 | E | A | -4.5126 | |
| 189 | E | A | -4.3423 | |
| 190 | K | A | -4.0541 | |
| 191 | R | A | -3.5015 | |
| 192 | T | A | -1.9020 | |
| 193 | L | A | -1.6328 | |
| 194 | E | A | -2.2616 | |
| 195 | L | A | 0.0000 | |
| 196 | N | A | -2.1268 | |
| 197 | P | A | -2.1277 | |
| 198 | C | A | -1.0156 | |
| 199 | T | A | -0.3937 | |
| 200 | G | A | -0.6185 | |
| 201 | F | A | 0.5201 | |
| 202 | Q | A | -0.3423 | |
| 203 | R | A | -1.3815 | |
| 204 | K | A | -1.7027 | |
| 205 | L | A | 0.0000 | |
| 206 | I | A | 0.0000 | |
| 207 | Y | A | -1.0186 | |
| 208 | Q | A | -1.1860 | |
| 209 | T | A | 0.0000 | |
| 210 | L | A | 0.0000 | |
| 211 | S | A | -0.5277 | |
| 212 | W | A | -0.3380 | |
| 213 | K | A | -1.2546 | |
| 214 | Y | A | -1.0525 | |
| 215 | P | A | -1.2537 | |
| 216 | K | A | -2.8687 | |
| 217 | G | A | -2.3667 | |
| 218 | I | A | -1.7065 | |
| 219 | H | A | -1.5341 | |
| 220 | V | A | -0.5223 | |
| 221 | E | A | -1.2615 | |
| 222 | T | A | -1.3591 | |
| 223 | L | A | -1.7489 | |
| 224 | E | A | -4.0404 | |
| 225 | T | A | -3.7670 | |
| 226 | D | A | -4.0678 | |
| 227 | K | A | -4.4640 | |
| 228 | K | A | -4.8234 | |
| 229 | E | A | -4.8415 | |
| 230 | R | A | -4.3471 | |
| 231 | H | A | 0.0000 | |
| 232 | I | A | 0.0000 | |
| 233 | V | A | 0.0000 | |
| 234 | I | A | 0.0000 | |
| 235 | S | A | -1.6253 | |
| 236 | K | A | -2.2691 | |
| 237 | V | A | 0.0000 | |
| 238 | D | A | -4.5780 | |
| 239 | E | A | -5.1879 | |
| 240 | E | A | -5.1461 | |
| 241 | E | A | -4.7817 | |
| 242 | R | A | -5.8987 | |
| 243 | K | A | -6.2244 | |
| 244 | R | A | -6.1176 | |
| 245 | R | A | -5.4547 | |
| 246 | E | A | -5.5779 | |
| 247 | Q | A | -5.0698 | |
| 248 | E | A | -5.2538 | |
| 249 | K | A | -4.8024 | |
| 250 | Y | A | -3.3033 | |
| 251 | A | A | -3.3579 | |
| 252 | K | A | -4.4463 | |
| 253 | E | A | -3.4705 | |
| 254 | Q | A | -3.1040 | |
| 255 | E | A | -4.0484 | |
| 256 | E | A | -3.6574 | |
| 257 | L | A | 0.0000 | |
| 258 | N | A | -2.4545 | |
| 259 | D | A | -2.4670 | |
| 260 | A | A | 0.0000 | |
| 261 | V | A | 0.0000 | |
| 262 | G | A | 0.0000 | |
| 263 | F | A | 0.0000 | |
| 264 | S | A | 0.0000 | |
| 265 | R | A | -0.5326 | |
| 266 | V | A | 0.0000 | |
| 267 | I | A | 0.0000 | |
| 268 | H | A | -0.6231 | |
| 269 | A | A | -0.8178 | |
| 270 | I | A | 0.0000 | |
| 271 | A | A | -0.8445 | |
| 272 | N | A | -1.5331 | |
| 273 | S | A | -1.2374 | |
| 274 | G | A | -0.8566 | |
| 275 | K | A | -1.3553 | |
| 276 | L | A | 0.0000 | |
| 277 | V | A | 0.0000 | |
| 278 | V | A | 0.0000 | |
| 279 | G | A | 0.0000 | |
| 280 | H | A | -0.4251 | |
| 281 | N | A | -0.4504 | |
| 282 | M | A | 0.0000 | |
| 283 | L | A | 0.0000 | |
| 284 | L | A | 0.1985 | |
| 285 | D | A | 0.0000 | |
| 286 | V | A | 0.0000 | |
| 287 | M | A | 0.0000 | |
| 288 | H | A | 0.0000 | |
| 289 | T | A | 0.0000 | |
| 290 | I | A | 0.0000 | |
| 291 | H | A | -0.4389 | |
| 292 | Q | A | 0.0000 | |
| 293 | F | A | 0.0000 | |
| 294 | Y | A | -0.0698 | |
| 295 | C | A | -0.3371 | |
| 296 | P | A | -0.2039 | |
| 297 | L | A | -0.2017 | |
| 298 | P | A | -0.1696 | |
| 299 | V | A | 0.6521 | |
| 300 | D | A | -1.2021 | |
| 301 | L | A | 0.0000 | |
| 302 | N | A | -3.0054 | |
| 303 | E | A | -2.9969 | |
| 304 | F | A | 0.0000 | |
| 305 | K | A | 0.0000 | |
| 306 | E | A | -2.8912 | |
| 307 | M | A | -1.1295 | |
| 308 | T | A | 0.0000 | |
| 309 | T | A | -1.0474 | |
| 310 | C | A | -0.0679 | |
| 311 | V | A | 0.0000 | |
| 312 | F | A | 0.0000 | |
| 313 | P | A | -1.1179 | |
| 314 | R | A | -1.5081 | |
| 315 | L | A | 0.0000 | |
| 316 | L | A | 0.0000 | |
| 317 | D | A | 0.0000 | |
| 318 | T | A | 0.0000 | |
| 319 | K | A | -0.3820 | |
| 320 | L | A | 0.0000 | |
| 321 | M | A | 0.0000 | |
| 322 | A | A | 0.0000 | |
| 323 | S | A | -1.4442 | |
| 324 | T | A | -1.4941 | |
| 325 | Q | A | -2.0973 | |
| 326 | P | A | -1.4604 | |
| 327 | F | A | 0.0000 | |
| 328 | K | A | -3.2091 | |
| 329 | D | A | -2.9094 | |
| 330 | I | A | -1.5958 | |
| 331 | I | A | 0.0000 | |
| 332 | N | A | -2.3487 | |
| 333 | N | A | -1.7139 | |
| 334 | T | A | -1.2357 | |
| 335 | S | A | -0.4080 | |
| 336 | L | A | -0.5131 | |
| 337 | A | A | -0.9487 | |
| 338 | E | A | -1.9380 | |
| 339 | L | A | 0.0000 | |
| 340 | E | A | -2.1759 | |
| 341 | K | A | -3.2643 | |
| 342 | R | A | -2.9223 | |
| 343 | L | A | 0.0000 | |
| 344 | K | A | -3.9242 | |
| 345 | E | A | -3.6688 | |
| 346 | T | A | -1.8723 | |
| 347 | P | A | -1.3296 | |
| 348 | F | A | 0.0000 | |
| 349 | D | A | -3.0458 | |
| 350 | P | A | -2.5184 | |
| 351 | P | A | -1.7380 | |
| 352 | K | A | -2.3948 | |
| 353 | V | A | -1.3817 | |
| 354 | E | A | -1.9129 | |
| 355 | S | A | -1.1465 | |
| 356 | A | A | 0.0000 | |
| 357 | E | A | -2.2055 | |
| 358 | G | A | -1.3190 | |
| 359 | F | A | -0.8237 | |
| 360 | P | A | -0.7705 | |
| 361 | S | A | -1.1121 | |
| 362 | Y | A | -1.1104 | |
| 363 | D | A | -2.1512 | |
| 364 | T | A | -1.3308 | |
| 365 | A | A | -0.9692 | |
| 366 | S | A | -1.2879 | |
| 367 | E | A | -1.8678 | |
| 368 | Q | A | -1.9768 | |
| 369 | L | A | -0.8596 | |
| 370 | H | A | -0.9442 | |
| 371 | E | A | -1.0191 | |
| 372 | A | A | 0.0000 | |
| 373 | G | A | 0.0000 | |
| 374 | Y | A | 0.0000 | |
| 375 | D | A | -0.5015 | |
| 376 | A | A | 0.0000 | |
| 377 | Y | A | 0.0000 | |
| 378 | I | A | 0.0000 | |
| 379 | T | A | 0.0000 | |
| 380 | G | A | 0.0000 | |
| 381 | L | A | -0.2784 | |
| 382 | C | A | 0.0000 | |
| 383 | F | A | 0.0000 | |
| 384 | I | A | 0.0000 | |
| 385 | S | A | 0.0000 | |
| 386 | M | A | 0.0000 | |
| 387 | A | A | 0.0000 | |
| 388 | N | A | -0.4670 | |
| 389 | Y | A | -0.1962 | |
| 390 | L | A | 0.0000 | |
| 391 | G | A | 0.0000 | |
| 392 | S | A | -0.0516 | |
| 393 | L | A | 1.1081 | |
| 394 | L | A | 0.3233 | |
| 395 | S | A | -0.2660 | |
| 396 | P | A | -0.6055 | |
| 397 | P | A | -0.7719 | |
| 398 | K | A | -1.5238 | |
| 399 | T | A | -0.8699 | |
| 400 | C | A | -0.3702 | |
| 401 | V | A | -0.6221 | |
| 402 | S | A | -0.9248 | |
| 403 | A | A | 0.0000 | |
| 404 | R | A | -2.6545 | |
| 405 | S | A | -2.0691 | |
| 406 | K | A | -2.7006 | |
| 407 | L | A | -1.3880 | |
| 408 | I | A | 0.0000 | |
| 409 | E | A | -2.9044 | |
| 410 | P | A | -1.3921 | |
| 411 | F | A | 0.0000 | |
| 412 | F | A | 0.0000 | |
| 413 | N | A | 0.0000 | |
| 414 | K | A | -0.7165 | |
| 415 | L | A | 0.0000 | |
| 416 | F | A | -0.0820 | |
| 417 | L | A | 0.0000 | |
| 418 | M | A | -0.5233 | |
| 419 | R | A | -1.2757 | |
| 420 | V | A | -0.3434 | |
| 421 | M | A | -0.0794 | |
| 422 | D | A | -0.4924 | |
| 423 | I | A | 0.0000 | |
| 424 | P | A | -0.0147 | |
| 425 | Y | A | 0.3143 | |
| 426 | L | A | 0.0000 | |
| 427 | N | A | -0.7848 | |
| 428 | L | A | 0.0000 | |
| 429 | E | A | -2.5293 | |
| 430 | G | A | -1.5557 | |
| 431 | P | A | -1.0204 | |
| 432 | D | A | -0.7208 | |
| 433 | L | A | -0.1256 | |
| 434 | Q | A | -1.3240 | |
| 435 | P | A | -1.3897 | |
| 436 | K | A | -2.2961 | |
| 437 | R | A | 0.0000 | |
| 438 | D | A | -2.2202 | |
| 439 | H | A | -1.8207 | |
| 440 | V | A | 0.0000 | |
| 441 | L | A | 0.0000 | |
| 442 | H | A | 0.0000 | |
| 443 | V | A | 0.0000 | |
| 444 | T | A | -1.1583 | |
| 445 | F | A | 0.0000 | |
| 446 | P | A | -1.9232 | |
| 447 | K | A | -3.6549 | |
| 448 | E | A | -3.3415 | |
| 449 | W | A | -2.5913 | |
| 450 | K | A | -2.7076 | |
| 451 | T | A | -0.9006 | |
| 452 | S | A | -1.0038 | |
| 453 | D | A | -1.5568 | |
| 454 | L | A | 0.0000 | |
| 455 | Y | A | -0.2916 | |
| 456 | Q | A | -0.9091 | |
| 457 | L | A | -0.1463 | |
| 458 | F | A | 0.0000 | |
| 459 | S | A | -0.5621 | |
| 460 | A | A | -0.2656 | |
| 461 | F | A | -0.2256 | |
| 462 | G | A | -1.0145 | |
| 463 | N | A | -1.5845 | |
| 464 | I | A | -0.9466 | |
| 465 | Q | A | -0.9624 | |
| 466 | I | A | 0.0095 | |
| 467 | S | A | 0.0975 | |
| 468 | W | A | 0.0518 | |
| 469 | I | A | 0.0636 | |
| 470 | D | A | -2.2057 | |
| 471 | D | A | -3.4178 | |
| 472 | T | A | -2.2674 | |
| 473 | S | A | 0.0000 | |
| 474 | A | A | 0.0000 | |
| 475 | F | A | 0.0000 | |
| 476 | V | A | 0.0000 | |
| 477 | S | A | 0.0000 | |
| 478 | L | A | 0.0000 | |
| 479 | S | A | -1.4875 | |
| 480 | Q | A | -2.0887 | |
| 481 | P | A | -2.0062 | |
| 482 | E | A | -2.5254 | |
| 483 | Q | A | -1.3659 | |
| 484 | V | A | 0.0000 | |
| 485 | Q | A | -1.3052 | |
| 486 | I | A | 0.3029 | |
| 487 | A | A | 0.0000 | |
| 488 | V | A | -0.7045 | |
| 489 | N | A | -0.8874 | |
| 490 | T | A | -0.5083 | |
| 491 | S | A | 0.0000 | |
| 492 | K | A | -1.8912 | |
| 493 | Y | A | -0.2501 | |
| 494 | A | A | -1.2099 | |
| 495 | E | A | -2.1486 | |
| 496 | S | A | -1.2141 | |
| 497 | Y | A | -1.3526 | |
| 498 | R | A | -2.2183 | |
| 499 | I | A | 0.0000 | |
| 500 | Q | A | 0.0000 | |
| 501 | T | A | -0.5619 | |
| 502 | Y | A | -0.3864 | |
| 503 | A | A | -0.8422 | |
| 504 | E | A | -1.3320 | |
| 505 | Y | A | -0.8510 | |
| 506 | V | A | -0.8194 | |
| 507 | G | A | -2.0358 | |
| 508 | K | A | -3.3015 | |
| 509 | K | A | -2.7002 | |
| 510 | Q | A | -3.2895 | |
| 511 | E | A | -3.8701 | |
| 512 | S | A | -3.0659 | |
| 513 | K | A | -3.4087 | |
| 514 | Q | A | -3.3165 | |
| 515 | V | A | -2.1656 | |
| 516 | K | A | -3.4869 | |
| 517 | R | A | -4.0300 | |
| 518 | K | A | -3.1119 | |
| 519 | W | A | -1.6718 | |
| 520 | T | A | -2.3871 | |
| 521 | E | A | -3.4553 | |
| 522 | D | A | -3.4131 | |
| 523 | S | A | -1.7667 | |
| 524 | W | A | -1.0609 | |
| 525 | K | A | -2.7705 | |
| 526 | E | A | -3.5082 | |
| 527 | V | A | -1.5502 | |
| 528 | D | A | -3.5944 | |
| 529 | R | A | -4.1407 | |
| 530 | K | A | -4.1481 | |
| 531 | R | A | -3.6362 | |
| 532 | P | A | -2.0791 | |
| 533 | H | A | -1.0397 | |
| 534 | V | A | 0.7211 | |
| 535 | P | A | 0.1301 | |
| 536 | G | A | -0.2551 | |
| 537 | P | A | 0.3216 | |
| 538 | C | A | 0.9131 | |
| 539 | Y | A | 1.1153 | |
| 540 | H | A | -0.4775 | |
| 541 | T | A | -1.3202 | |
| 542 | N | A | -2.6654 | |
| 543 | R | A | -3.0033 | |
| 544 | H | A | -2.6419 | |
| 545 | T | A | -2.2895 | |
| 546 | R | A | -3.4221 | |
| 547 | R | A | -3.8570 | |
| 548 | E | A | -3.8824 | |
| 549 | H | A | -2.4758 | |
| 550 | Q | A | -1.0140 | |
| 551 | I | A | 1.7799 | |
| 552 | P | A | 1.8706 | |
| 553 | F | A | 3.1365 | |
| 554 | I | A | 2.6463 | |
| 555 | T | A | 0.3692 | |
| 556 | D | A | -1.4183 | |
| 557 | G | A | -1.4170 | |
| 558 | C | A | -0.8552 | |
| 559 | E | A | -1.6797 | |
| 560 | P | A | -0.9707 | |
| 561 | P | A | -0.4834 | |
| 562 | C | A | 0.3016 | |
| 563 | G | A | 0.3022 | |
| 564 | C | A | 1.1220 | |
| 565 | W | A | 1.0779 | |
| 566 | Q | A | -0.0736 | |
| 567 | L | A | 0.6021 | |
| 568 | N | A | -0.8910 | |
| 569 | S | A | -0.6415 | |
| 570 | G | A | -0.6660 | |
| 571 | P | A | -0.4557 | |
| 572 | L | A | -0.1969 | |
| 573 | E | A | -2.3749 | |
| 574 | E | A | -2.9967 | |
| 575 | Q | A | -2.2064 | |
| 576 | S | A | -1.1094 | |
| 577 | A | A | 0.2204 | |
| 578 | L | A | 1.3854 |
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 | -1.001 | 7.0995 | View | CSV | PDB |
| 4.5 | -1.0968 | 7.0995 | View | CSV | PDB |
| 5.0 | -1.2195 | 7.0995 | View | CSV | PDB |
| 5.5 | -1.3446 | 7.0995 | View | CSV | PDB |
| 6.0 | -1.4444 | 7.0995 | View | CSV | PDB |
| 6.5 | -1.4974 | 7.0995 | View | CSV | PDB |
| 7.0 | -1.5006 | 7.0995 | View | CSV | PDB |
| 7.5 | -1.4687 | 7.0995 | View | CSV | PDB |
| 8.0 | -1.4176 | 7.0995 | View | CSV | PDB |
| 8.5 | -1.3546 | 7.0995 | View | CSV | PDB |
| 9.0 | -1.2805 | 7.0995 | 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