| Chain sequence(s) | MDEEKLPCELHKEGSATQEDHGLEPEEEPGLQNGTAASEGLSSHISGPGGEKTLEGTMEPVRGPDVALPGLNLSLTNGLALGQDGNILEDSIEFKTWRSGPAEEEDVPGSPCPDAGDPQLGLDCPGEPDVRDGFSATFEKILESELLRGTQYSSLDSLDVLSLTDESDSCVSFEAPLTPLIQQRARDSPEAGAGLGNGDMGPEGDLGATGGCDGELGSPLRRSISSSRSENVLSHLSLTSVPNGFHEDGPGGSGGDDEDDEDTDKLLNSASDTSLKDGLSDSDSELSSSEGLEPGSTDPLANGCQGVSEAARRLARRLYHLEGFQRCDVARQLGKNNEFSRLVAGEYLSFFDFSGLTLDRALRTFLKAFPLMGETQERERVLTHFSRRYCQCNPDDSTSEDGIHTLTCALMLLNTDLHGHNIGKKMSCQQFIANLDQLNDGQDFAKDLLKTLYNSIKNEKLEWAIDEDELRKSLSELVDDKFGTGTKKVTRILDGGNPFLDVPQALNATTYKHGVLTRKTHADMDGKRTPRGRRGWKKFYAVLKGTILYLQKDEYRLDKALSEGDLKNAIRVHHALATRASDYSKKSNVLKLKTADWRVFLFQAPSKEEMLSWILRINLVAAIFSAPAFPAAVSSMKKFCRPLLPSCTTRLCQEEQLRSHENKLRQVTAELAEHRCHPLERGLKSKEAEEYRLKEHYLTFEKSRYETYIHLLAVKIKVGSDDLERIEARLATIEGDDPALRKTHSSPALSLGHGPVTGSKATKDTSASDT 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 (00:00:08)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:31:55)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/3e11382ea42f27/tmp/folded.pdb (00:31:55)
[INFO] Main: Simulation completed successfully. (00:49:31)
|
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 | -0.3893 | |
| 2 | D | A | -2.6221 | |
| 3 | E | A | -3.7523 | |
| 4 | E | A | -3.7713 | |
| 5 | K | A | -2.6801 | |
| 6 | L | A | 0.1486 | |
| 7 | P | A | 0.0691 | |
| 8 | C | A | 0.4009 | |
| 9 | E | A | -0.9877 | |
| 10 | L | A | -0.0192 | |
| 11 | H | A | -1.9398 | |
| 12 | K | A | -2.8576 | |
| 13 | E | A | -3.1362 | |
| 14 | G | A | -1.8065 | |
| 15 | S | A | -0.8821 | |
| 16 | A | A | -0.4475 | |
| 17 | T | A | -1.0365 | |
| 18 | Q | A | -2.4741 | |
| 19 | E | A | -3.6637 | |
| 20 | D | A | -3.6653 | |
| 21 | H | A | -2.1414 | |
| 22 | G | A | -0.9620 | |
| 23 | L | A | 0.1798 | |
| 24 | E | A | -1.6549 | |
| 25 | P | A | -2.0976 | |
| 26 | E | A | -3.5922 | |
| 27 | E | A | -3.7018 | |
| 28 | E | A | -3.3599 | |
| 29 | P | A | -1.4980 | |
| 30 | G | A | -0.5572 | |
| 31 | L | A | 0.3053 | |
| 32 | Q | A | -1.1187 | |
| 33 | N | A | -1.7442 | |
| 34 | G | A | -1.3310 | |
| 35 | T | A | -0.5519 | |
| 36 | A | A | -0.0875 | |
| 37 | A | A | -0.3912 | |
| 38 | S | A | -1.1914 | |
| 39 | E | A | -1.8364 | |
| 40 | G | A | -0.7155 | |
| 41 | L | A | 0.7903 | |
| 42 | S | A | 0.1173 | |
| 43 | S | A | -0.1384 | |
| 44 | H | A | -0.2126 | |
| 45 | I | A | 1.2775 | |
| 46 | S | A | 0.2091 | |
| 47 | G | A | -0.3554 | |
| 48 | P | A | -0.8435 | |
| 49 | G | A | -1.3349 | |
| 50 | G | A | -1.9917 | |
| 51 | E | A | -3.0085 | |
| 52 | K | A | -2.3644 | |
| 53 | T | A | -0.9844 | |
| 54 | L | A | 0.1213 | |
| 55 | E | A | -1.3276 | |
| 56 | G | A | -0.8099 | |
| 57 | T | A | -0.5627 | |
| 58 | M | A | -0.0911 | |
| 59 | E | A | -1.0223 | |
| 60 | P | A | -0.4686 | |
| 61 | V | A | 0.2732 | |
| 62 | R | A | -1.5247 | |
| 63 | G | A | -1.4495 | |
| 64 | P | A | -1.4411 | |
| 65 | D | A | -1.3587 | |
| 66 | V | A | 1.1199 | |
| 67 | A | A | 1.0876 | |
| 68 | L | A | 1.8259 | |
| 69 | P | A | 0.7741 | |
| 70 | G | A | 0.3988 | |
| 71 | L | A | 1.1742 | |
| 72 | N | A | 0.2145 | |
| 73 | L | A | 1.5532 | |
| 74 | S | A | 1.0010 | |
| 75 | L | A | 1.3134 | |
| 76 | T | A | 0.0669 | |
| 77 | N | A | -0.8687 | |
| 78 | G | A | -0.1164 | |
| 79 | L | A | 1.4095 | |
| 80 | A | A | 1.3305 | |
| 81 | L | A | 1.4458 | |
| 82 | G | A | -0.7106 | |
| 83 | Q | A | -2.3836 | |
| 84 | D | A | -3.0846 | |
| 85 | G | A | -1.7634 | |
| 86 | N | A | -0.8150 | |
| 87 | I | A | 1.6832 | |
| 88 | L | A | 0.8778 | |
| 89 | E | A | -1.9029 | |
| 90 | D | A | -2.1541 | |
| 91 | S | A | -0.4805 | |
| 92 | I | A | 1.0511 | |
| 93 | E | A | -0.2852 | |
| 94 | F | A | 0.5482 | |
| 95 | K | A | -1.1600 | |
| 96 | T | A | -0.5746 | |
| 97 | W | A | -0.2268 | |
| 98 | R | A | -1.6451 | |
| 99 | S | A | -1.2482 | |
| 100 | G | A | -1.1296 | |
| 101 | P | A | -0.8500 | |
| 102 | A | A | -1.5020 | |
| 103 | E | A | -3.1249 | |
| 104 | E | A | -3.9708 | |
| 105 | E | A | -3.6616 | |
| 106 | D | A | -2.3955 | |
| 107 | V | A | 0.3507 | |
| 108 | P | A | -0.0259 | |
| 109 | G | A | -0.4170 | |
| 110 | S | A | -0.4662 | |
| 111 | P | A | -0.1809 | |
| 112 | C | A | 0.0488 | |
| 113 | P | A | -0.7747 | |
| 114 | D | A | -1.8194 | |
| 115 | A | A | -1.4842 | |
| 116 | G | A | -1.6813 | |
| 117 | D | A | -2.3419 | |
| 118 | P | A | -1.5016 | |
| 119 | Q | A | -0.9887 | |
| 120 | L | A | 1.0296 | |
| 121 | G | A | 0.3343 | |
| 122 | L | A | 0.9346 | |
| 123 | D | A | -0.8914 | |
| 124 | C | A | -0.2420 | |
| 125 | P | A | -0.7788 | |
| 126 | G | A | -1.7838 | |
| 127 | E | A | -2.3061 | |
| 128 | P | A | -1.8956 | |
| 129 | D | A | -2.3696 | |
| 130 | V | A | -0.9241 | |
| 131 | R | A | -2.4674 | |
| 132 | D | A | -2.3443 | |
| 133 | G | A | -1.4353 | |
| 134 | F | A | -0.8444 | |
| 135 | S | A | -0.8669 | |
| 136 | A | A | -1.0634 | |
| 137 | T | A | -0.7055 | |
| 138 | F | A | 0.1457 | |
| 139 | E | A | -1.6090 | |
| 140 | K | A | -2.0573 | |
| 141 | I | A | -0.6613 | |
| 142 | L | A | -0.9240 | |
| 143 | E | A | -1.9475 | |
| 144 | S | A | -1.3775 | |
| 145 | E | A | -1.9050 | |
| 146 | L | A | 0.0670 | |
| 147 | L | A | 0.4305 | |
| 148 | R | A | -1.7944 | |
| 149 | G | A | -1.2345 | |
| 150 | T | A | -1.1506 | |
| 151 | Q | A | -0.9786 | |
| 152 | Y | A | 0.3871 | |
| 153 | S | A | 0.0593 | |
| 154 | S | A | 0.1070 | |
| 155 | L | A | 0.2940 | |
| 156 | D | A | -0.8036 | |
| 157 | S | A | -0.3412 | |
| 158 | L | A | 0.7856 | |
| 159 | D | A | 0.0952 | |
| 160 | V | A | 2.1900 | |
| 161 | L | A | 2.4709 | |
| 162 | S | A | 1.3162 | |
| 163 | L | A | 1.2643 | |
| 164 | T | A | -0.4591 | |
| 165 | D | A | -2.5951 | |
| 166 | E | A | -3.1656 | |
| 167 | S | A | -2.3948 | |
| 168 | D | A | -2.3385 | |
| 169 | S | A | -0.5759 | |
| 170 | C | A | 0.9786 | |
| 171 | V | A | 1.8592 | |
| 172 | S | A | 0.6022 | |
| 173 | F | A | 0.6665 | |
| 174 | E | A | 0.1174 | |
| 175 | A | A | 0.5070 | |
| 176 | P | A | 0.7541 | |
| 177 | L | A | 1.3967 | |
| 178 | T | A | 0.6244 | |
| 179 | P | A | 0.1085 | |
| 180 | L | A | 0.3189 | |
| 181 | I | A | 0.3454 | |
| 182 | Q | A | -1.7270 | |
| 183 | Q | A | -3.0252 | |
| 184 | R | A | -3.3590 | |
| 185 | A | A | -2.6570 | |
| 186 | R | A | -3.9357 | |
| 187 | D | A | -3.8258 | |
| 188 | S | A | -2.4280 | |
| 189 | P | A | -1.9516 | |
| 190 | E | A | -2.2655 | |
| 191 | A | A | -1.1318 | |
| 192 | G | A | -0.7885 | |
| 193 | A | A | -0.3147 | |
| 194 | G | A | 0.0995 | |
| 195 | L | A | 0.8117 | |
| 196 | G | A | -0.5434 | |
| 197 | N | A | -1.8685 | |
| 198 | G | A | -1.9505 | |
| 199 | D | A | -1.9035 | |
| 200 | M | A | -0.1968 | |
| 201 | G | A | -0.7121 | |
| 202 | P | A | -1.2225 | |
| 203 | E | A | -2.6374 | |
| 204 | G | A | -2.0659 | |
| 205 | D | A | -1.8099 | |
| 206 | L | A | 0.3916 | |
| 207 | G | A | -0.0616 | |
| 208 | A | A | 0.0272 | |
| 209 | T | A | -0.4631 | |
| 210 | G | A | -0.7856 | |
| 211 | G | A | -0.7961 | |
| 212 | C | A | -0.8337 | |
| 213 | D | A | -2.0890 | |
| 214 | G | A | -1.9484 | |
| 215 | E | A | -1.8058 | |
| 216 | L | A | 0.1349 | |
| 217 | G | A | -0.1243 | |
| 218 | S | A | 0.0884 | |
| 219 | P | A | -0.0888 | |
| 220 | L | A | 0.0681 | |
| 221 | R | A | -2.1401 | |
| 222 | R | A | -2.1671 | |
| 223 | S | A | -0.5897 | |
| 224 | I | A | 1.3548 | |
| 225 | S | A | 0.7534 | |
| 226 | S | A | -0.3958 | |
| 227 | S | A | -1.0971 | |
| 228 | R | A | -2.6957 | |
| 229 | S | A | -2.3360 | |
| 230 | E | A | -2.4059 | |
| 231 | N | A | -1.1738 | |
| 232 | V | A | 1.2957 | |
| 233 | L | A | 1.7872 | |
| 234 | S | A | 0.8031 | |
| 235 | H | A | 0.3390 | |
| 236 | L | A | 1.4247 | |
| 237 | S | A | 0.9611 | |
| 238 | L | A | 1.8444 | |
| 239 | T | A | 1.1360 | |
| 240 | S | A | 0.8786 | |
| 241 | V | A | 1.8302 | |
| 242 | P | A | 0.4789 | |
| 243 | N | A | -0.1497 | |
| 244 | G | A | 0.1055 | |
| 245 | F | A | 0.7092 | |
| 246 | H | A | -1.5270 | |
| 247 | E | A | -2.8830 | |
| 248 | D | A | -3.0503 | |
| 249 | G | A | -2.1017 | |
| 250 | P | A | -1.4625 | |
| 251 | G | A | -1.1942 | |
| 252 | G | A | -0.9565 | |
| 253 | S | A | -0.9045 | |
| 254 | G | A | -1.5146 | |
| 255 | G | A | -2.0505 | |
| 256 | D | A | -3.5069 | |
| 257 | D | A | -4.1695 | |
| 258 | E | A | -4.2993 | |
| 259 | D | A | -4.2903 | |
| 260 | D | A | -4.2774 | |
| 261 | E | A | -3.9320 | |
| 262 | D | A | -3.4571 | |
| 263 | T | A | -2.6539 | |
| 264 | D | A | -2.6968 | |
| 265 | K | A | -1.4692 | |
| 266 | L | A | 0.8418 | |
| 267 | L | A | 1.3289 | |
| 268 | N | A | -0.2846 | |
| 269 | S | A | -0.5524 | |
| 270 | A | A | -0.8738 | |
| 271 | S | A | -1.0993 | |
| 272 | D | A | -1.9645 | |
| 273 | T | A | -0.8097 | |
| 274 | S | A | -0.2871 | |
| 275 | L | A | 0.2595 | |
| 276 | K | A | -1.9586 | |
| 277 | D | A | -2.2473 | |
| 278 | G | A | -1.1918 | |
| 279 | L | A | 0.4623 | |
| 280 | S | A | -0.3500 | |
| 281 | D | A | -2.0770 | |
| 282 | S | A | -2.2487 | |
| 283 | D | A | -2.6616 | |
| 284 | S | A | -1.6424 | |
| 285 | E | A | -1.6917 | |
| 286 | L | A | 0.2500 | |
| 287 | S | A | -0.0830 | |
| 288 | S | A | -0.6297 | |
| 289 | S | A | -1.0287 | |
| 290 | E | A | -1.8216 | |
| 291 | G | A | -1.0558 | |
| 292 | L | A | -0.1019 | |
| 293 | E | A | -1.3698 | |
| 294 | P | A | -1.0448 | |
| 295 | G | A | -1.1308 | |
| 296 | S | A | -0.9140 | |
| 297 | T | A | -0.9929 | |
| 298 | D | A | -1.6365 | |
| 299 | P | A | -0.7332 | |
| 300 | L | A | 0.5210 | |
| 301 | A | A | -0.5002 | |
| 302 | N | A | -1.4230 | |
| 303 | G | A | -0.6402 | |
| 304 | C | A | -0.0896 | |
| 305 | Q | A | -1.4249 | |
| 306 | G | A | -1.0125 | |
| 307 | V | A | 0.1304 | |
| 308 | S | A | -0.4490 | |
| 309 | E | A | -1.2331 | |
| 310 | A | A | -0.8033 | |
| 311 | A | A | 0.0000 | |
| 312 | R | A | -2.1827 | |
| 313 | R | A | -2.8873 | |
| 314 | L | A | -1.9575 | |
| 315 | A | A | 0.0000 | |
| 316 | R | A | -3.3204 | |
| 317 | R | A | -3.0839 | |
| 318 | L | A | 0.0000 | |
| 319 | Y | A | -1.4688 | |
| 320 | H | A | -2.3206 | |
| 321 | L | A | -2.0135 | |
| 322 | E | A | -2.7785 | |
| 323 | G | A | -1.6111 | |
| 324 | F | A | -1.3182 | |
| 325 | Q | A | -1.7627 | |
| 326 | R | A | -1.5095 | |
| 327 | C | A | 0.0000 | |
| 328 | D | A | -1.4429 | |
| 329 | V | A | 0.0000 | |
| 330 | A | A | -1.5313 | |
| 331 | R | A | -2.2435 | |
| 332 | Q | A | -1.7108 | |
| 333 | L | A | 0.0000 | |
| 334 | G | A | 0.0000 | |
| 335 | K | A | -3.2873 | |
| 336 | N | A | -3.2181 | |
| 337 | N | A | -2.9244 | |
| 338 | E | A | -2.8752 | |
| 339 | F | A | -1.0465 | |
| 340 | S | A | 0.0000 | |
| 341 | R | A | -2.9253 | |
| 342 | L | A | -0.9491 | |
| 343 | V | A | 0.0000 | |
| 344 | A | A | 0.0000 | |
| 345 | G | A | -0.9681 | |
| 346 | E | A | -1.2175 | |
| 347 | Y | A | 0.0000 | |
| 348 | L | A | 0.0000 | |
| 349 | S | A | -0.8785 | |
| 350 | F | A | -0.2390 | |
| 351 | F | A | 0.0000 | |
| 352 | D | A | -1.8857 | |
| 353 | F | A | 0.0000 | |
| 354 | S | A | -1.0764 | |
| 355 | G | A | -1.0190 | |
| 356 | L | A | -0.7190 | |
| 357 | T | A | -0.7175 | |
| 358 | L | A | 0.0000 | |
| 359 | D | A | -1.1692 | |
| 360 | R | A | -1.8847 | |
| 361 | A | A | 0.0000 | |
| 362 | L | A | 0.0000 | |
| 363 | R | A | 0.0000 | |
| 364 | T | A | -1.4263 | |
| 365 | F | A | 0.0000 | |
| 366 | L | A | 0.0000 | |
| 367 | K | A | -1.8977 | |
| 368 | A | A | -1.0675 | |
| 369 | F | A | 0.0000 | |
| 370 | P | A | 0.0000 | |
| 371 | L | A | 0.0000 | |
| 372 | M | A | -0.5371 | |
| 373 | G | A | -1.5167 | |
| 374 | E | A | -1.4796 | |
| 375 | T | A | -1.1284 | |
| 376 | Q | A | -2.3280 | |
| 377 | E | A | -2.7417 | |
| 378 | R | A | -1.9974 | |
| 379 | E | A | -1.6808 | |
| 380 | R | A | -1.9855 | |
| 381 | V | A | 0.0000 | |
| 382 | L | A | 0.0000 | |
| 383 | T | A | -1.2478 | |
| 384 | H | A | -1.2637 | |
| 385 | F | A | 0.0000 | |
| 386 | S | A | 0.0000 | |
| 387 | R | A | -2.4358 | |
| 388 | R | A | -1.8069 | |
| 389 | Y | A | 0.0000 | |
| 390 | C | A | -1.7944 | |
| 391 | Q | A | -2.3132 | |
| 392 | C | A | -1.7130 | |
| 393 | N | A | -1.7141 | |
| 394 | P | A | -1.7914 | |
| 395 | D | A | -2.5505 | |
| 396 | D | A | -2.0616 | |
| 397 | S | A | -1.1870 | |
| 398 | T | A | -1.4445 | |
| 399 | S | A | -1.6821 | |
| 400 | E | A | -2.4822 | |
| 401 | D | A | -2.6653 | |
| 402 | G | A | 0.0000 | |
| 403 | I | A | 0.0000 | |
| 404 | H | A | 0.0000 | |
| 405 | T | A | -0.4622 | |
| 406 | L | A | 0.0000 | |
| 407 | T | A | 0.0000 | |
| 408 | C | A | 0.2866 | |
| 409 | A | A | 0.3980 | |
| 410 | L | A | 0.0000 | |
| 411 | M | A | 0.6337 | |
| 412 | L | A | 1.3725 | |
| 413 | L | A | 0.0000 | |
| 414 | N | A | 0.0000 | |
| 415 | T | A | -0.1727 | |
| 416 | D | A | -0.8828 | |
| 417 | L | A | 0.0000 | |
| 418 | H | A | -1.4855 | |
| 419 | G | A | -0.7977 | |
| 420 | H | A | -1.1339 | |
| 421 | N | A | -1.0509 | |
| 422 | I | A | 0.6100 | |
| 423 | G | A | -1.2318 | |
| 424 | K | A | -2.3966 | |
| 425 | K | A | -2.0658 | |
| 426 | M | A | -1.4235 | |
| 427 | S | A | -1.2315 | |
| 428 | C | A | -1.6314 | |
| 429 | Q | A | -2.1008 | |
| 430 | Q | A | -2.0898 | |
| 431 | F | A | 0.0000 | |
| 432 | I | A | 0.0000 | |
| 433 | A | A | -2.0076 | |
| 434 | N | A | -1.8382 | |
| 435 | L | A | 0.0000 | |
| 436 | D | A | -3.1206 | |
| 437 | Q | A | -3.1589 | |
| 438 | L | A | -2.1523 | |
| 439 | N | A | 0.0000 | |
| 440 | D | A | -3.0954 | |
| 441 | G | A | -2.7095 | |
| 442 | Q | A | -3.1926 | |
| 443 | D | A | -3.2515 | |
| 444 | F | A | 0.0000 | |
| 445 | A | A | -1.7493 | |
| 446 | K | A | -2.7755 | |
| 447 | D | A | -2.6536 | |
| 448 | L | A | -1.3678 | |
| 449 | L | A | 0.0000 | |
| 450 | K | A | -2.5466 | |
| 451 | T | A | -1.6963 | |
| 452 | L | A | 0.0000 | |
| 453 | Y | A | 0.0000 | |
| 454 | N | A | -2.3774 | |
| 455 | S | A | -2.3459 | |
| 456 | I | A | 0.0000 | |
| 457 | K | A | -3.0557 | |
| 458 | N | A | -3.1019 | |
| 459 | E | A | -3.1068 | |
| 460 | K | A | -2.2594 | |
| 461 | L | A | 0.0000 | |
| 462 | E | A | -1.8228 | |
| 463 | W | A | -0.9961 | |
| 464 | A | A | -0.8478 | |
| 465 | I | A | -0.6323 | |
| 466 | D | A | -2.2702 | |
| 467 | E | A | -3.3871 | |
| 468 | D | A | -3.8864 | |
| 469 | E | A | -2.9260 | |
| 470 | L | A | -2.4094 | |
| 471 | R | A | -3.8588 | |
| 472 | K | A | -3.4866 | |
| 473 | S | A | -1.6476 | |
| 474 | L | A | -0.8529 | |
| 475 | S | A | -1.8197 | |
| 476 | E | A | -2.3751 | |
| 477 | L | A | -0.2897 | |
| 478 | V | A | -0.4777 | |
| 479 | D | A | -2.4154 | |
| 480 | D | A | -2.8149 | |
| 481 | K | A | -1.8863 | |
| 482 | F | A | 0.0517 | |
| 483 | G | A | -0.6015 | |
| 484 | T | A | -0.5002 | |
| 485 | G | A | -1.0249 | |
| 486 | T | A | -1.3397 | |
| 487 | K | A | -2.2341 | |
| 488 | K | A | -1.8944 | |
| 489 | V | A | 0.3174 | |
| 490 | T | A | -0.0936 | |
| 491 | R | A | -0.5987 | |
| 492 | I | A | 0.0000 | |
| 493 | L | A | 0.1494 | |
| 494 | D | A | -0.6095 | |
| 495 | G | A | -0.6208 | |
| 496 | G | A | 0.0339 | |
| 497 | N | A | -0.0828 | |
| 498 | P | A | 0.7329 | |
| 499 | F | A | 1.9472 | |
| 500 | L | A | 1.0306 | |
| 501 | D | A | 0.2745 | |
| 502 | V | A | 0.4827 | |
| 503 | P | A | 0.2763 | |
| 504 | Q | A | -0.0508 | |
| 505 | A | A | 0.3240 | |
| 506 | L | A | 1.0549 | |
| 507 | N | A | -0.6134 | |
| 508 | A | A | -0.3135 | |
| 509 | T | A | -0.2832 | |
| 510 | T | A | -0.5442 | |
| 511 | Y | A | -0.2926 | |
| 512 | K | A | 0.0000 | |
| 513 | H | A | -0.7409 | |
| 514 | G | A | 0.0355 | |
| 515 | V | A | 0.3369 | |
| 516 | L | A | 0.0000 | |
| 517 | T | A | 0.0000 | |
| 518 | R | A | -1.3258 | |
| 519 | K | A | -1.5556 | |
| 520 | T | A | -1.5404 | |
| 521 | H | A | -2.0688 | |
| 522 | A | A | 0.0000 | |
| 523 | D | A | -2.0647 | |
| 524 | M | A | -1.3232 | |
| 525 | D | A | -2.4893 | |
| 526 | G | A | -2.3858 | |
| 527 | K | A | -3.3154 | |
| 528 | R | A | -3.6798 | |
| 529 | T | A | 0.0000 | |
| 530 | P | A | -2.7133 | |
| 531 | R | A | -3.2947 | |
| 532 | G | A | -2.6101 | |
| 533 | R | A | -3.3667 | |
| 534 | R | A | -3.1183 | |
| 535 | G | A | -2.1693 | |
| 536 | W | A | -1.6218 | |
| 537 | K | A | -2.7519 | |
| 538 | K | A | -2.7281 | |
| 539 | F | A | 0.0000 | |
| 540 | Y | A | -0.9484 | |
| 541 | A | A | 0.0000 | |
| 542 | V | A | 0.0000 | |
| 543 | L | A | 0.0000 | |
| 544 | K | A | -0.5591 | |
| 545 | G | A | -0.2396 | |
| 546 | T | A | 0.0008 | |
| 547 | I | A | 0.0000 | |
| 548 | L | A | 0.0000 | |
| 549 | Y | A | 0.0000 | |
| 550 | L | A | 0.0000 | |
| 551 | Q | A | -1.7886 | |
| 552 | K | A | -3.1718 | |
| 553 | D | A | -3.6555 | |
| 554 | E | A | -3.2493 | |
| 555 | Y | A | -2.1229 | |
| 556 | R | A | -2.6264 | |
| 557 | L | A | -0.5504 | |
| 558 | D | A | -2.2957 | |
| 559 | K | A | -2.6707 | |
| 560 | A | A | -1.1483 | |
| 561 | L | A | -0.9852 | |
| 562 | S | A | -1.5542 | |
| 563 | E | A | -2.1404 | |
| 564 | G | A | -1.8872 | |
| 565 | D | A | -1.8449 | |
| 566 | L | A | -1.3803 | |
| 567 | K | A | -2.1463 | |
| 568 | N | A | -1.5249 | |
| 569 | A | A | -0.7174 | |
| 570 | I | A | 0.0000 | |
| 571 | R | A | -0.3142 | |
| 572 | V | A | 0.0000 | |
| 573 | H | A | 0.0000 | |
| 574 | H | A | 0.0000 | |
| 575 | A | A | 0.0000 | |
| 576 | L | A | 0.0375 | |
| 577 | A | A | 0.0000 | |
| 578 | T | A | -0.9021 | |
| 579 | R | A | -2.2697 | |
| 580 | A | A | -1.8642 | |
| 581 | S | A | -1.6595 | |
| 582 | D | A | -2.3612 | |
| 583 | Y | A | -1.7894 | |
| 584 | S | A | -1.6334 | |
| 585 | K | A | -2.2648 | |
| 586 | K | A | -1.5989 | |
| 587 | S | A | -1.2593 | |
| 588 | N | A | -1.5474 | |
| 589 | V | A | 0.0000 | |
| 590 | L | A | 0.0000 | |
| 591 | K | A | -1.3279 | |
| 592 | L | A | 0.0000 | |
| 593 | K | A | -0.5540 | |
| 594 | T | A | 0.0000 | |
| 595 | A | A | -0.1127 | |
| 596 | D | A | -0.3002 | |
| 597 | W | A | 0.0000 | |
| 598 | R | A | -1.6566 | |
| 599 | V | A | 0.0000 | |
| 600 | F | A | 0.0000 | |
| 601 | L | A | 0.0000 | |
| 602 | F | A | 0.0000 | |
| 603 | Q | A | -1.0826 | |
| 604 | A | A | 0.0000 | |
| 605 | P | A | -0.8367 | |
| 606 | S | A | -1.5744 | |
| 607 | K | A | -2.5383 | |
| 608 | E | A | -2.4804 | |
| 609 | E | A | -1.4948 | |
| 610 | M | A | 0.0000 | |
| 611 | L | A | -0.6540 | |
| 612 | S | A | -0.6669 | |
| 613 | W | A | 0.0000 | |
| 614 | I | A | -0.1259 | |
| 615 | L | A | 0.3472 | |
| 616 | R | A | -0.0930 | |
| 617 | I | A | 0.0000 | |
| 618 | N | A | 0.0000 | |
| 619 | L | A | 0.0000 | |
| 620 | V | A | 0.0000 | |
| 621 | A | A | 0.0000 | |
| 622 | A | A | 0.0000 | |
| 623 | I | A | 0.0000 | |
| 624 | F | A | 0.2035 | |
| 625 | S | A | 0.0000 | |
| 626 | A | A | 0.0480 | |
| 627 | P | A | -0.0374 | |
| 628 | A | A | 0.7538 | |
| 629 | F | A | 1.5582 | |
| 630 | P | A | 0.9385 | |
| 631 | A | A | 1.1486 | |
| 632 | A | A | 1.3588 | |
| 633 | V | A | 1.7750 | |
| 634 | S | A | 0.6274 | |
| 635 | S | A | 0.2580 | |
| 636 | M | A | 0.1180 | |
| 637 | K | A | -1.5967 | |
| 638 | K | A | -1.5254 | |
| 639 | F | A | -0.6248 | |
| 640 | C | A | 0.4594 | |
| 641 | R | A | 0.2203 | |
| 642 | P | A | 0.8000 | |
| 643 | L | A | 1.9406 | |
| 644 | L | A | 0.0000 | |
| 645 | P | A | 0.0000 | |
| 646 | S | A | 0.0000 | |
| 647 | C | A | 0.7994 | |
| 648 | T | A | 0.0484 | |
| 649 | T | A | -0.5097 | |
| 650 | R | A | -1.6009 | |
| 651 | L | A | -0.8394 | |
| 652 | C | A | -0.9633 | |
| 653 | Q | A | -1.5299 | |
| 654 | E | A | -2.2005 | |
| 655 | E | A | -2.6445 | |
| 656 | Q | A | 0.0000 | |
| 657 | L | A | -1.9738 | |
| 658 | R | A | -3.2999 | |
| 659 | S | A | -2.4445 | |
| 660 | H | A | 0.0000 | |
| 661 | E | A | -3.3164 | |
| 662 | N | A | -3.2361 | |
| 663 | K | A | -2.6634 | |
| 664 | L | A | -2.6548 | |
| 665 | R | A | -3.1119 | |
| 666 | Q | A | -2.4779 | |
| 667 | V | A | 0.0000 | |
| 668 | T | A | -1.4215 | |
| 669 | A | A | -1.7081 | |
| 670 | E | A | -2.0688 | |
| 671 | L | A | -1.8320 | |
| 672 | A | A | -1.7376 | |
| 673 | E | A | -2.6403 | |
| 674 | H | A | -2.2682 | |
| 675 | R | A | -2.5812 | |
| 676 | C | A | -1.3562 | |
| 677 | H | A | -1.9453 | |
| 678 | P | A | -1.7111 | |
| 679 | L | A | -1.3420 | |
| 680 | E | A | -2.5976 | |
| 681 | R | A | -2.6725 | |
| 682 | G | A | -1.5153 | |
| 683 | L | A | -0.8206 | |
| 684 | K | A | -1.3253 | |
| 685 | S | A | -1.2368 | |
| 686 | K | A | -2.1347 | |
| 687 | E | A | -2.2262 | |
| 688 | A | A | -2.4224 | |
| 689 | E | A | -3.3364 | |
| 690 | E | A | -2.5854 | |
| 691 | Y | A | -2.5305 | |
| 692 | R | A | -3.1976 | |
| 693 | L | A | -1.9478 | |
| 694 | K | A | -1.9782 | |
| 695 | E | A | -2.4590 | |
| 696 | H | A | -1.8685 | |
| 697 | Y | A | 0.0000 | |
| 698 | L | A | 0.0000 | |
| 699 | T | A | -0.7941 | |
| 700 | F | A | 0.0000 | |
| 701 | E | A | 0.0000 | |
| 702 | K | A | -1.3364 | |
| 703 | S | A | -0.9270 | |
| 704 | R | A | 0.0000 | |
| 705 | Y | A | 0.0000 | |
| 706 | E | A | -2.1457 | |
| 707 | T | A | -0.9836 | |
| 708 | Y | A | 0.0000 | |
| 709 | I | A | -0.9462 | |
| 710 | H | A | -0.7015 | |
| 711 | L | A | 0.0000 | |
| 712 | L | A | 0.0000 | |
| 713 | A | A | -0.6184 | |
| 714 | V | A | 0.0000 | |
| 715 | K | A | 0.0000 | |
| 716 | I | A | -0.7108 | |
| 717 | K | A | -1.4670 | |
| 718 | V | A | -1.3257 | |
| 719 | G | A | -1.0639 | |
| 720 | S | A | -1.6261 | |
| 721 | D | A | -2.5027 | |
| 722 | D | A | -2.5327 | |
| 723 | L | A | -2.1853 | |
| 724 | E | A | -3.2711 | |
| 725 | R | A | -3.3925 | |
| 726 | I | A | 0.0000 | |
| 727 | E | A | -1.6561 | |
| 728 | A | A | -1.5962 | |
| 729 | R | A | -2.0746 | |
| 730 | L | A | 0.0000 | |
| 731 | A | A | -1.1831 | |
| 732 | T | A | -1.2566 | |
| 733 | I | A | -1.2950 | |
| 734 | E | A | -2.5531 | |
| 735 | G | A | -2.4939 | |
| 736 | D | A | -3.0802 | |
| 737 | D | A | -2.6216 | |
| 738 | P | A | -1.7767 | |
| 739 | A | A | -1.1718 | |
| 740 | L | A | -0.3575 | |
| 741 | R | A | -2.0975 | |
| 742 | K | A | -2.5658 | |
| 743 | T | A | -1.7820 | |
| 744 | H | A | -1.9307 | |
| 745 | S | A | -1.0977 | |
| 746 | S | A | -0.5695 | |
| 747 | P | A | -0.2316 | |
| 748 | A | A | 0.7682 | |
| 749 | L | A | 1.7248 | |
| 750 | S | A | 1.0585 | |
| 751 | L | A | 1.3681 | |
| 752 | G | A | -0.2209 | |
| 753 | H | A | -0.9439 | |
| 754 | G | A | -0.7526 | |
| 755 | P | A | 0.0280 | |
| 756 | V | A | 1.2833 | |
| 757 | T | A | 0.4435 | |
| 758 | G | A | -0.6085 | |
| 759 | S | A | -1.2674 | |
| 760 | K | A | -1.8880 | |
| 761 | A | A | -1.2715 | |
| 762 | T | A | -1.6409 | |
| 763 | K | A | -2.6360 | |
| 764 | D | A | -2.7145 | |
| 765 | T | A | -1.4295 | |
| 766 | S | A | -0.8143 | |
| 767 | A | A | -0.5391 | |
| 768 | S | A | -1.1491 | |
| 769 | D | A | -1.9225 | |
| 770 | T | A | -1.0615 |
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 | -0.6317 | 5.3171 | View | CSV | PDB |
| 4.5 | -0.7422 | 5.3171 | View | CSV | PDB |
| 5.0 | -0.8806 | 5.3171 | View | CSV | PDB |
| 5.5 | -1.0246 | 5.3171 | View | CSV | PDB |
| 6.0 | -1.1513 | 5.3171 | View | CSV | PDB |
| 6.5 | -1.2441 | 5.3171 | View | CSV | PDB |
| 7.0 | -1.2998 | 5.3171 | View | CSV | PDB |
| 7.5 | -1.3283 | 5.3171 | View | CSV | PDB |
| 8.0 | -1.3405 | 5.3171 | View | CSV | PDB |
| 8.5 | -1.3392 | 5.3171 | View | CSV | PDB |
| 9.0 | -1.3218 | 5.3171 | 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