| Chain sequence(s) | MEELVVEVRGSNGAFYKAFVKDVHEDSITVAFENNWQPERQIPFHDVRFPPPVGYNKDINESDEVEVYSRANEKEPCCWWLAKVRMIKGEFYVIEYAACDATYNEIVTIERLRSVNPNKPATKDTFHKIKLEVPEDLRQMCAKESAHKDFKKAVGAFSVTYDPENYQLVILSINEVTSKRAHMLIDMHFRSLRTKLSLILRNEEASKQLESSRQLASRFHEQFIVREDLMGLAIGTHGANIQQARKVPGVTAIDLDEDTCTFHIYGEDQDAVKKARSFLEFAEDVIQVPRNLVGKVIGKNGKLIQEIVDKSGVVRVRIEAENEKSVPQEEEIMPPSSLPSNNSRVGPNSSEEKKHLDTKENTHFSQPNSTKVQRVLVVSSIVAGGPQKPEPKAWQGMVPFVFVGTKDSIANATVLLDYHLNYLKEVDQLRLERLQIDEQLRQIGASSRPPPNRTDKEKGYVTDDGQGMGRGSRPYRNRGHGRRGPGYTSGTNSEASNASETESDHRDELSDWSLAPTEEERESFLRRGDGRRRRGGGRGQGGRGRGGGFKGNDDHSRTDNRPRNPREAKGRTADGSLQSASSEGSRLRTGKDRNQKKEKPDSVDGLQPLVNGVP 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. (00:00:10)
[INFO] FoldX: Starting FoldX energy minimization (00:00:10)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:19:14)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/4354beffc5f612/tmp/folded.pdb (00:19:14)
[INFO] Main: Simulation completed successfully. (00:25:23)
|
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 | -0.7546 | |
| 2 | E | A | -2.0542 | |
| 3 | E | A | -2.2868 | |
| 4 | L | A | -0.6962 | |
| 5 | V | A | -0.2780 | |
| 6 | V | A | 0.0000 | |
| 7 | E | A | 0.0000 | |
| 8 | V | A | 0.0000 | |
| 9 | R | A | -1.4238 | |
| 10 | G | A | -0.8984 | |
| 11 | S | A | -0.8017 | |
| 12 | N | A | -0.8576 | |
| 13 | G | A | -0.8183 | |
| 14 | A | A | 0.0000 | |
| 15 | F | A | 0.0000 | |
| 16 | Y | A | 0.0000 | |
| 17 | K | A | -1.2371 | |
| 18 | A | A | 0.0000 | |
| 19 | F | A | -1.1516 | |
| 20 | V | A | 0.0000 | |
| 21 | K | A | -2.1660 | |
| 22 | D | A | -1.5279 | |
| 23 | V | A | 0.0000 | |
| 24 | H | A | -2.4115 | |
| 25 | E | A | -3.5066 | |
| 26 | D | A | -3.4812 | |
| 27 | S | A | -2.5703 | |
| 28 | I | A | 0.0000 | |
| 29 | T | A | 0.0000 | |
| 30 | V | A | 0.0000 | |
| 31 | A | A | -2.3947 | |
| 32 | F | A | 0.0000 | |
| 33 | E | A | -2.2172 | |
| 34 | N | A | -2.3657 | |
| 35 | N | A | -2.5503 | |
| 36 | W | A | -1.6689 | |
| 37 | Q | A | -1.7880 | |
| 38 | P | A | -2.1354 | |
| 39 | E | A | -3.5151 | |
| 40 | R | A | -3.5330 | |
| 41 | Q | A | -2.9276 | |
| 42 | I | A | 0.0000 | |
| 43 | P | A | -1.7664 | |
| 44 | F | A | 0.0000 | |
| 45 | H | A | -1.9312 | |
| 46 | D | A | -1.3166 | |
| 47 | V | A | 0.0000 | |
| 48 | R | A | 0.0000 | |
| 49 | F | A | 0.0737 | |
| 50 | P | A | 0.2186 | |
| 51 | P | A | 0.1945 | |
| 52 | P | A | 0.4633 | |
| 53 | V | A | 1.3630 | |
| 54 | G | A | -0.0762 | |
| 55 | Y | A | -0.4382 | |
| 56 | N | A | -2.2504 | |
| 57 | K | A | -3.2703 | |
| 58 | D | A | -3.2925 | |
| 59 | I | A | 0.0000 | |
| 60 | N | A | -3.2421 | |
| 61 | E | A | -3.3527 | |
| 62 | S | A | -2.7131 | |
| 63 | D | A | -3.1332 | |
| 64 | E | A | -2.9163 | |
| 65 | V | A | 0.0000 | |
| 66 | E | A | 0.0000 | |
| 67 | V | A | 0.0000 | |
| 68 | Y | A | -0.0357 | |
| 69 | S | A | 0.0000 | |
| 70 | R | A | -2.5882 | |
| 71 | A | A | -1.9562 | |
| 72 | N | A | -2.8440 | |
| 73 | E | A | -3.4860 | |
| 74 | K | A | -3.2038 | |
| 75 | E | A | -2.4303 | |
| 76 | P | A | -1.8623 | |
| 77 | C | A | -1.2193 | |
| 78 | C | A | 0.0000 | |
| 79 | W | A | -0.0282 | |
| 80 | W | A | 0.0000 | |
| 81 | L | A | 0.0932 | |
| 82 | A | A | 0.0000 | |
| 83 | K | A | -2.6215 | |
| 84 | V | A | 0.0000 | |
| 85 | R | A | -2.7725 | |
| 86 | M | A | -1.0062 | |
| 87 | I | A | -0.8803 | |
| 88 | K | A | -1.4659 | |
| 89 | G | A | -1.5126 | |
| 90 | E | A | -1.5855 | |
| 91 | F | A | 0.8923 | |
| 92 | Y | A | 0.2779 | |
| 93 | V | A | 0.2311 | |
| 94 | I | A | 0.0000 | |
| 95 | E | A | -0.8222 | |
| 96 | Y | A | 0.0000 | |
| 97 | A | A | -0.3030 | |
| 98 | A | A | -0.0616 | |
| 99 | C | A | -0.2761 | |
| 100 | D | A | -1.3356 | |
| 101 | A | A | -0.5263 | |
| 102 | T | A | -0.1565 | |
| 103 | Y | A | 0.4947 | |
| 104 | N | A | -0.0500 | |
| 105 | E | A | 0.7915 | |
| 106 | I | A | 1.9752 | |
| 107 | V | A | 0.0000 | |
| 108 | T | A | 0.3070 | |
| 109 | I | A | 0.1100 | |
| 110 | E | A | -1.5862 | |
| 111 | R | A | -0.7013 | |
| 112 | L | A | 0.0000 | |
| 113 | R | A | -1.0183 | |
| 114 | S | A | -1.3203 | |
| 115 | V | A | -0.2687 | |
| 116 | N | A | 0.0000 | |
| 117 | P | A | -0.5709 | |
| 118 | N | A | -1.1190 | |
| 119 | K | A | -2.0360 | |
| 120 | P | A | -1.4174 | |
| 121 | A | A | -1.4462 | |
| 122 | T | A | -2.2328 | |
| 123 | K | A | -3.6163 | |
| 124 | D | A | -3.1211 | |
| 125 | T | A | -1.6411 | |
| 126 | F | A | 0.0000 | |
| 127 | H | A | -1.6534 | |
| 128 | K | A | -1.7006 | |
| 129 | I | A | 0.0000 | |
| 130 | K | A | -2.4739 | |
| 131 | L | A | 0.0000 | |
| 132 | E | A | -2.4379 | |
| 133 | V | A | 0.0000 | |
| 134 | P | A | -1.7928 | |
| 135 | E | A | -2.9608 | |
| 136 | D | A | -2.8885 | |
| 137 | L | A | 0.0000 | |
| 138 | R | A | -2.2308 | |
| 139 | Q | A | -2.1929 | |
| 140 | M | A | -1.9268 | |
| 141 | C | A | 0.0000 | |
| 142 | A | A | -1.6798 | |
| 143 | K | A | -2.7952 | |
| 144 | E | A | -2.8214 | |
| 145 | S | A | -2.0898 | |
| 146 | A | A | -2.0522 | |
| 147 | H | A | 0.0000 | |
| 148 | K | A | -3.1623 | |
| 149 | D | A | -3.2163 | |
| 150 | F | A | 0.0000 | |
| 151 | K | A | -2.1693 | |
| 152 | K | A | -2.8694 | |
| 153 | A | A | -1.6888 | |
| 154 | V | A | 0.0000 | |
| 155 | G | A | -1.1098 | |
| 156 | A | A | 0.0000 | |
| 157 | F | A | 0.0000 | |
| 158 | S | A | -1.4865 | |
| 159 | V | A | 0.0000 | |
| 160 | T | A | -1.1207 | |
| 161 | Y | A | -1.5300 | |
| 162 | D | A | -1.4453 | |
| 163 | P | A | -1.4015 | |
| 164 | E | A | -2.1731 | |
| 165 | N | A | -1.9368 | |
| 166 | Y | A | -1.2866 | |
| 167 | Q | A | -1.7353 | |
| 168 | L | A | 0.0000 | |
| 169 | V | A | 0.0000 | |
| 170 | I | A | 0.0000 | |
| 171 | L | A | 0.0000 | |
| 172 | S | A | 0.0000 | |
| 173 | I | A | -0.2720 | |
| 174 | N | A | -0.8977 | |
| 175 | E | A | -1.9137 | |
| 176 | V | A | -0.0047 | |
| 177 | T | A | 0.0000 | |
| 178 | S | A | -1.6157 | |
| 179 | K | A | -1.8818 | |
| 180 | R | A | -1.2201 | |
| 181 | A | A | 0.0000 | |
| 182 | H | A | -1.4520 | |
| 183 | M | A | -0.1352 | |
| 184 | L | A | 0.0663 | |
| 185 | I | A | -0.5002 | |
| 186 | D | A | -0.9456 | |
| 187 | M | A | -0.2432 | |
| 188 | H | A | 0.0000 | |
| 189 | F | A | -1.3151 | |
| 190 | R | A | -2.2868 | |
| 191 | S | A | -1.5250 | |
| 192 | L | A | 0.0000 | |
| 193 | R | A | -1.7678 | |
| 194 | T | A | -1.0497 | |
| 195 | K | A | -1.0293 | |
| 196 | L | A | -0.6683 | |
| 197 | S | A | -0.0355 | |
| 198 | L | A | 0.1889 | |
| 199 | I | A | -0.3059 | |
| 200 | L | A | -0.8572 | |
| 201 | R | A | -2.8179 | |
| 202 | N | A | -3.0735 | |
| 203 | E | A | -3.6347 | |
| 204 | E | A | -4.1483 | |
| 205 | A | A | -3.0430 | |
| 206 | S | A | -3.0451 | |
| 207 | K | A | -4.2093 | |
| 208 | Q | A | -3.2254 | |
| 209 | L | A | -1.6017 | |
| 210 | E | A | -3.2213 | |
| 211 | S | A | -2.2463 | |
| 212 | S | A | -1.7989 | |
| 213 | R | A | -3.0993 | |
| 214 | Q | A | -2.7731 | |
| 215 | L | A | -1.3654 | |
| 216 | A | A | -1.5816 | |
| 217 | S | A | -1.7036 | |
| 218 | R | A | -2.5069 | |
| 219 | F | A | -1.3255 | |
| 220 | H | A | -1.2900 | |
| 221 | E | A | -1.2449 | |
| 222 | Q | A | -1.3055 | |
| 223 | F | A | 0.0000 | |
| 224 | I | A | 1.1150 | |
| 225 | V | A | 0.0000 | |
| 226 | R | A | -2.3834 | |
| 227 | E | A | -3.4483 | |
| 228 | D | A | -3.1228 | |
| 229 | L | A | 0.0000 | |
| 230 | M | A | -1.3046 | |
| 231 | G | A | -0.9869 | |
| 232 | L | A | 0.2552 | |
| 233 | A | A | 0.0000 | |
| 234 | I | A | 0.1906 | |
| 235 | G | A | -0.2871 | |
| 236 | T | A | -0.4871 | |
| 237 | H | A | -1.1406 | |
| 238 | G | A | -0.7388 | |
| 239 | A | A | -0.8651 | |
| 240 | N | A | -0.9385 | |
| 241 | I | A | -1.2335 | |
| 242 | Q | A | -2.2344 | |
| 243 | Q | A | -2.1482 | |
| 244 | A | A | 0.0000 | |
| 245 | R | A | -2.9728 | |
| 246 | K | A | -2.9815 | |
| 247 | V | A | 0.0000 | |
| 248 | P | A | -1.5458 | |
| 249 | G | A | -1.4653 | |
| 250 | V | A | -1.5058 | |
| 251 | T | A | -0.7027 | |
| 252 | A | A | -0.8786 | |
| 253 | I | A | 0.0000 | |
| 254 | D | A | -2.3396 | |
| 255 | L | A | -1.6259 | |
| 256 | D | A | -2.3894 | |
| 257 | E | A | -3.4316 | |
| 258 | D | A | -3.0976 | |
| 259 | T | A | -1.6651 | |
| 260 | C | A | -1.4580 | |
| 261 | T | A | -0.9987 | |
| 262 | F | A | 0.0000 | |
| 263 | H | A | -1.3044 | |
| 264 | I | A | 0.0000 | |
| 265 | Y | A | -1.0653 | |
| 266 | G | A | 0.0000 | |
| 267 | E | A | -2.0949 | |
| 268 | D | A | -2.6122 | |
| 269 | Q | A | -2.5749 | |
| 270 | D | A | -3.2183 | |
| 271 | A | A | 0.0000 | |
| 272 | V | A | 0.0000 | |
| 273 | K | A | -2.8828 | |
| 274 | K | A | -2.6199 | |
| 275 | A | A | 0.0000 | |
| 276 | R | A | -1.8655 | |
| 277 | S | A | -1.5615 | |
| 278 | F | A | -0.7926 | |
| 279 | L | A | 0.0000 | |
| 280 | E | A | -0.8329 | |
| 281 | F | A | 0.0000 | |
| 282 | A | A | -1.1619 | |
| 283 | E | A | -1.3539 | |
| 284 | D | A | -0.3081 | |
| 285 | V | A | -0.1059 | |
| 286 | I | A | 0.0000 | |
| 287 | Q | A | 0.0000 | |
| 288 | V | A | 0.0000 | |
| 289 | P | A | -0.9941 | |
| 290 | R | A | -2.0229 | |
| 291 | N | A | -2.0103 | |
| 292 | L | A | 0.0000 | |
| 293 | V | A | -0.8220 | |
| 294 | G | A | -1.5337 | |
| 295 | K | A | -1.4648 | |
| 296 | V | A | 0.0000 | |
| 297 | I | A | -1.1737 | |
| 298 | G | A | -2.1924 | |
| 299 | K | A | -2.9385 | |
| 300 | N | A | -2.7547 | |
| 301 | G | A | -2.5045 | |
| 302 | K | A | -3.2093 | |
| 303 | L | A | -2.3010 | |
| 304 | I | A | 0.0000 | |
| 305 | Q | A | -3.1587 | |
| 306 | E | A | -3.4320 | |
| 307 | I | A | 0.0000 | |
| 308 | V | A | -2.1759 | |
| 309 | D | A | -3.3302 | |
| 310 | K | A | -3.2791 | |
| 311 | S | A | 0.0000 | |
| 312 | G | A | -1.6776 | |
| 313 | V | A | 0.0000 | |
| 314 | V | A | 1.1372 | |
| 315 | R | A | -0.5851 | |
| 316 | V | A | -0.4862 | |
| 317 | R | A | -1.2585 | |
| 318 | I | A | -0.7275 | |
| 319 | E | A | -2.3877 | |
| 320 | A | A | -2.3228 | |
| 321 | E | A | -3.6738 | |
| 322 | N | A | -3.9051 | |
| 323 | E | A | -3.5260 | |
| 324 | K | A | -2.9382 | |
| 325 | S | A | -1.0603 | |
| 326 | V | A | 0.2902 | |
| 327 | P | A | -1.0211 | |
| 328 | Q | A | -2.4668 | |
| 329 | E | A | -3.5068 | |
| 330 | E | A | -3.4016 | |
| 331 | E | A | -2.1126 | |
| 332 | I | A | 1.1467 | |
| 333 | M | A | 1.1366 | |
| 334 | P | A | 0.3350 | |
| 335 | P | A | -0.2620 | |
| 336 | S | A | -0.0617 | |
| 337 | S | A | 0.3560 | |
| 338 | L | A | 1.2303 | |
| 339 | P | A | 0.1076 | |
| 340 | S | A | -0.9239 | |
| 341 | N | A | -2.1418 | |
| 342 | N | A | -2.4726 | |
| 343 | S | A | -1.7387 | |
| 344 | R | A | -1.4950 | |
| 345 | V | A | 0.5626 | |
| 346 | G | A | -0.2753 | |
| 347 | P | A | -0.7379 | |
| 348 | N | A | -1.6489 | |
| 349 | S | A | -1.4278 | |
| 350 | S | A | -1.9230 | |
| 351 | E | A | -3.3451 | |
| 352 | E | A | -4.0380 | |
| 353 | K | A | -4.0843 | |
| 354 | K | A | -3.1234 | |
| 355 | H | A | -1.8644 | |
| 356 | L | A | -0.1594 | |
| 357 | D | A | -1.7139 | |
| 358 | T | A | -1.8416 | |
| 359 | K | A | -3.4048 | |
| 360 | E | A | -3.3211 | |
| 361 | N | A | -2.6573 | |
| 362 | T | A | -1.1316 | |
| 363 | H | A | -0.5675 | |
| 364 | F | A | 0.9309 | |
| 365 | S | A | -0.3045 | |
| 366 | Q | A | -1.3932 | |
| 367 | P | A | -1.5481 | |
| 368 | N | A | -2.0022 | |
| 369 | S | A | -1.5936 | |
| 370 | T | A | -1.5168 | |
| 371 | K | A | -2.4671 | |
| 372 | V | A | -1.6610 | |
| 373 | Q | A | -1.9123 | |
| 374 | R | A | -1.3671 | |
| 375 | V | A | 0.8659 | |
| 376 | L | A | 2.5344 | |
| 377 | V | A | 3.2050 | |
| 378 | V | A | 3.2227 | |
| 379 | S | A | 1.9519 | |
| 380 | S | A | 1.9613 | |
| 381 | I | A | 2.8927 | |
| 382 | V | A | 2.5196 | |
| 383 | A | A | 1.0285 | |
| 384 | G | A | -0.1924 | |
| 385 | G | A | -1.1380 | |
| 386 | P | A | -1.7390 | |
| 387 | Q | A | -2.6071 | |
| 388 | K | A | -3.0418 | |
| 389 | P | A | -2.5757 | |
| 390 | E | A | -3.0500 | |
| 391 | P | A | -2.2791 | |
| 392 | K | A | -2.4869 | |
| 393 | A | A | -1.1659 | |
| 394 | W | A | -0.6078 | |
| 395 | Q | A | -1.7216 | |
| 396 | G | A | -1.2715 | |
| 397 | M | A | -0.7660 | |
| 398 | V | A | 0.0000 | |
| 399 | P | A | -0.7919 | |
| 400 | F | A | 0.0000 | |
| 401 | V | A | 0.0000 | |
| 402 | F | A | 0.0000 | |
| 403 | V | A | 0.0000 | |
| 404 | G | A | 0.0000 | |
| 405 | T | A | -1.1099 | |
| 406 | K | A | -2.4464 | |
| 407 | D | A | -2.6232 | |
| 408 | S | A | -1.5008 | |
| 409 | I | A | 0.0000 | |
| 410 | A | A | -1.0208 | |
| 411 | N | A | -1.2319 | |
| 412 | A | A | 0.0000 | |
| 413 | T | A | 0.0000 | |
| 414 | V | A | 1.1714 | |
| 415 | L | A | 0.4490 | |
| 416 | L | A | 0.0000 | |
| 417 | D | A | 0.2946 | |
| 418 | Y | A | 1.3994 | |
| 419 | H | A | 0.2953 | |
| 420 | L | A | 0.0000 | |
| 421 | N | A | -0.8277 | |
| 422 | Y | A | -0.1979 | |
| 423 | L | A | -0.6562 | |
| 424 | K | A | -1.8928 | |
| 425 | E | A | -2.2203 | |
| 426 | V | A | -0.9518 | |
| 427 | D | A | -1.9451 | |
| 428 | Q | A | -2.1873 | |
| 429 | L | A | -1.7203 | |
| 430 | R | A | -2.2140 | |
| 431 | L | A | -0.7685 | |
| 432 | E | A | -1.7877 | |
| 433 | R | A | -2.4203 | |
| 434 | L | A | -0.8335 | |
| 435 | Q | A | -1.4964 | |
| 436 | I | A | -0.6018 | |
| 437 | D | A | -2.0503 | |
| 438 | E | A | -2.0036 | |
| 439 | Q | A | -1.3079 | |
| 440 | L | A | -0.2339 | |
| 441 | R | A | -2.2105 | |
| 442 | Q | A | -1.4677 | |
| 443 | I | A | 0.4726 | |
| 444 | G | A | -0.7751 | |
| 445 | A | A | -0.9458 | |
| 446 | S | A | -0.8861 | |
| 447 | S | A | -1.0939 | |
| 448 | R | A | -2.2763 | |
| 449 | P | A | -1.5626 | |
| 450 | P | A | -1.4854 | |
| 451 | P | A | -1.7617 | |
| 452 | N | A | -2.4127 | |
| 453 | R | A | -2.9727 | |
| 454 | T | A | -2.5199 | |
| 455 | D | A | -3.4235 | |
| 456 | K | A | -3.8885 | |
| 457 | E | A | -4.0400 | |
| 458 | K | A | -2.9678 | |
| 459 | G | A | -0.5521 | |
| 460 | Y | A | 1.4894 | |
| 461 | V | A | 1.8291 | |
| 462 | T | A | -0.1778 | |
| 463 | D | A | -2.3478 | |
| 464 | D | A | -3.1570 | |
| 465 | G | A | -2.3455 | |
| 466 | Q | A | -1.8252 | |
| 467 | G | A | -0.7363 | |
| 468 | M | A | -0.0627 | |
| 469 | G | A | -1.0341 | |
| 470 | R | A | -2.1071 | |
| 471 | G | A | -1.9298 | |
| 472 | S | A | -1.7819 | |
| 473 | R | A | -1.8943 | |
| 474 | P | A | -0.8859 | |
| 475 | Y | A | -0.3250 | |
| 476 | R | A | -2.3683 | |
| 477 | N | A | -3.1100 | |
| 478 | R | A | -3.4032 | |
| 479 | G | A | -2.2345 | |
| 480 | H | A | -2.4957 | |
| 481 | G | A | -2.5179 | |
| 482 | R | A | -3.3304 | |
| 483 | R | A | -3.2617 | |
| 484 | G | A | -2.1628 | |
| 485 | P | A | -0.9251 | |
| 486 | G | A | -0.0665 | |
| 487 | Y | A | 0.9485 | |
| 488 | T | A | 0.3422 | |
| 489 | S | A | -0.1654 | |
| 490 | G | A | -0.8798 | |
| 491 | T | A | -1.0237 | |
| 492 | N | A | -1.8586 | |
| 493 | S | A | -1.7041 | |
| 494 | E | A | -2.1831 | |
| 495 | A | A | -1.2781 | |
| 496 | S | A | -1.1619 | |
| 497 | N | A | -1.6168 | |
| 498 | A | A | -1.1702 | |
| 499 | S | A | -1.7626 | |
| 500 | E | A | -2.7346 | |
| 501 | T | A | -2.3131 | |
| 502 | E | A | -3.2733 | |
| 503 | S | A | -3.0610 | |
| 504 | D | A | -4.2988 | |
| 505 | H | A | -3.8490 | |
| 506 | R | A | -4.1501 | |
| 507 | D | A | -4.1343 | |
| 508 | E | A | -3.3320 | |
| 509 | L | A | -0.8761 | |
| 510 | S | A | -1.2126 | |
| 511 | D | A | -1.2968 | |
| 512 | W | A | 0.7096 | |
| 513 | S | A | 0.6287 | |
| 514 | L | A | 1.2465 | |
| 515 | A | A | 0.4112 | |
| 516 | P | A | -0.8507 | |
| 517 | T | A | -1.6654 | |
| 518 | E | A | -3.6156 | |
| 519 | E | A | -4.3812 | |
| 520 | E | A | -4.6255 | |
| 521 | R | A | -4.2009 | |
| 522 | E | A | -2.9465 | |
| 523 | S | A | -0.7618 | |
| 524 | F | A | 1.2710 | |
| 525 | L | A | 0.9597 | |
| 526 | R | A | -1.7226 | |
| 527 | R | A | -2.8508 | |
| 528 | G | A | -2.7963 | |
| 529 | D | A | -3.0836 | |
| 530 | G | A | -2.7013 | |
| 531 | R | A | -3.7609 | |
| 532 | R | A | -4.2207 | |
| 533 | R | A | -4.2401 | |
| 534 | R | A | -3.4843 | |
| 535 | G | A | -2.2599 | |
| 536 | G | A | -1.7006 | |
| 537 | G | A | -1.7741 | |
| 538 | R | A | -2.6583 | |
| 539 | G | A | -2.2139 | |
| 540 | Q | A | -2.1966 | |
| 541 | G | A | -1.7911 | |
| 542 | G | A | -1.9009 | |
| 543 | R | A | -2.8168 | |
| 544 | G | A | -2.4346 | |
| 545 | R | A | -2.8164 | |
| 546 | G | A | -1.7952 | |
| 547 | G | A | -0.9257 | |
| 548 | G | A | -0.1851 | |
| 549 | F | A | 0.6546 | |
| 550 | K | A | -1.3040 | |
| 551 | G | A | -1.9116 | |
| 552 | N | A | -3.2260 | |
| 553 | D | A | -3.6930 | |
| 554 | D | A | -3.6920 | |
| 555 | H | A | -2.8269 | |
| 556 | S | A | -2.5205 | |
| 557 | R | A | -3.0341 | |
| 558 | T | A | -2.5306 | |
| 559 | D | A | -3.3590 | |
| 560 | N | A | -3.3212 | |
| 561 | R | A | -3.4011 | |
| 562 | P | A | -2.6360 | |
| 563 | R | A | -3.0554 | |
| 564 | N | A | -2.7085 | |
| 565 | P | A | -2.5898 | |
| 566 | R | A | -3.2454 | |
| 567 | E | A | -3.2412 | |
| 568 | A | A | -2.2200 | |
| 569 | K | A | -2.6974 | |
| 570 | G | A | -2.3252 | |
| 571 | R | A | -2.4591 | |
| 572 | T | A | -1.5062 | |
| 573 | A | A | -1.3256 | |
| 574 | D | A | -2.0530 | |
| 575 | G | A | -1.0678 | |
| 576 | S | A | -0.3870 | |
| 577 | L | A | 0.7144 | |
| 578 | Q | A | -0.5952 | |
| 579 | S | A | -0.5282 | |
| 580 | A | A | -0.4618 | |
| 581 | S | A | -0.7169 | |
| 582 | S | A | -1.2823 | |
| 583 | E | A | -2.4709 | |
| 584 | G | A | -1.9318 | |
| 585 | S | A | -1.4509 | |
| 586 | R | A | -1.9106 | |
| 587 | L | A | -0.4094 | |
| 588 | R | A | -1.6527 | |
| 589 | T | A | -1.2384 | |
| 590 | G | A | -1.9008 | |
| 591 | K | A | -3.1717 | |
| 592 | D | A | -3.9400 | |
| 593 | R | A | -4.0050 | |
| 594 | N | A | -3.6987 | |
| 595 | Q | A | -3.5865 | |
| 596 | K | A | -4.0936 | |
| 597 | K | A | -4.2141 | |
| 598 | E | A | -4.3245 | |
| 599 | K | A | -3.7863 | |
| 600 | P | A | -2.2718 | |
| 601 | D | A | -2.3587 | |
| 602 | S | A | -0.9753 | |
| 603 | V | A | 0.1874 | |
| 604 | D | A | -1.1323 | |
| 605 | G | A | -0.4707 | |
| 606 | L | A | 0.2107 | |
| 607 | Q | A | -0.2775 | |
| 608 | P | A | 0.7068 | |
| 609 | L | A | 1.7805 | |
| 610 | V | A | 1.6985 | |
| 611 | N | A | 0.0410 | |
| 612 | G | A | 0.1395 | |
| 613 | V | A | 1.0955 | |
| 614 | P | A | 0.4838 |
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 | -1.1888 | 3.7034 | View | CSV | PDB |
| 4.5 | -1.2973 | 3.6127 | View | CSV | PDB |
| 5.0 | -1.4343 | 3.5689 | View | CSV | PDB |
| 5.5 | -1.5748 | 3.5175 | View | CSV | PDB |
| 6.0 | -1.6931 | 3.4667 | View | CSV | PDB |
| 6.5 | -1.7702 | 3.4246 | View | CSV | PDB |
| 7.0 | -1.8025 | 3.3978 | View | CSV | PDB |
| 7.5 | -1.8025 | 3.3852 | View | CSV | PDB |
| 8.0 | -1.7845 | 3.4887 | View | CSV | PDB |
| 8.5 | -1.7538 | 3.7445 | View | CSV | PDB |
| 9.0 | -1.7092 | 3.9971 | 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