| Chain sequence(s) | MGGLASGGDVEPGLPVEVRGSNGAFYKGFVKDVHEDSVTIFFENNWQSERQIPFGDVRLPPPADYNKEITEGDEVEVYSRANEQEPCGWCLARVRMMKGDFYVIEYAACDATYNEIVTLERLRPVNSSSLATKGSFFKVTMAVPEDLREACSNENVHKEFKKALGANCIFLNITNSELFILSTTEAPVKRASLLGDMHFRSLRTKLLLMSRNEEATKHLETSKQLAAAFQEEFTVREDLMGLAIGTHGANIQQARKVPGVTAIELGEETCTFRIYGETPEACRQARSYLEFSEDSVQVPRDLVGKVTGKTGKVIQGIVDKSGVVRVRVEGDNDKKNPKEGGMVPFIFVGTRENISNAQALLEYHLSYLQEVETLRLERLQIDEQLRQIGAGFRPPGSGRGGSGGGSDKAGYTTDESSSSSLHTTRTYGGSYGGRGRGRRTGGPAYGPSSDPSTASETESEKREESNRAGPGDRDPPSRGEESRRRRLGPGKGPPPVPRPTSRYNSSSISSVLKDPDSNPYSLLDTSEPEPPVDSEPGEPPPASARRRRSRRRRTDEDRTVMDGALESDGPNMTENGLEDESRPQRRNRSRRRRNRGNRTDGSISGDRQPVTVADYISRAESQSRQRPLGRTEPSEDSLSGQKGDSVSKLPKGPSENGELSAPLELGSLVNGVS 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] (00:00:03)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:03)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with A chain(s) selected (00:00:03)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:03)
[INFO] PDB-Info: The input structure is partially or entirely disordered. Average score is
recommended for pH analysis. (00:00:16)
[INFO] FoldX: Starting FoldX energy minimization (00:00:16)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:33:50)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/cb875005bba2aa/tmp/folded.pdb (00:33:50)
[INFO] Main: Simulation completed successfully. (00:45:14)
|
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 | 0.8762 | |
| 2 | G | A | 0.2169 | |
| 3 | G | A | 0.2950 | |
| 4 | L | A | 1.2146 | |
| 5 | A | A | 0.3434 | |
| 6 | S | A | -0.3551 | |
| 7 | G | A | -0.7583 | |
| 8 | G | A | -1.4777 | |
| 9 | D | A | -1.7265 | |
| 10 | V | A | -0.1999 | |
| 11 | E | A | -1.6838 | |
| 12 | P | A | -0.8004 | |
| 13 | G | A | -0.5142 | |
| 14 | L | A | 0.0000 | |
| 15 | P | A | -0.7585 | |
| 16 | V | A | 0.0000 | |
| 17 | E | A | 0.0000 | |
| 18 | V | A | 0.0000 | |
| 19 | R | A | -1.7511 | |
| 20 | G | A | -1.1272 | |
| 21 | S | A | -0.9030 | |
| 22 | N | A | -0.9171 | |
| 23 | G | A | -0.7822 | |
| 24 | A | A | 0.0000 | |
| 25 | F | A | 0.0000 | |
| 26 | Y | A | 0.0000 | |
| 27 | K | A | -1.4414 | |
| 28 | G | A | 0.0000 | |
| 29 | F | A | 0.0000 | |
| 30 | V | A | 0.0000 | |
| 31 | K | A | -1.2990 | |
| 32 | D | A | -0.9004 | |
| 33 | V | A | 0.0000 | |
| 34 | H | A | -2.3408 | |
| 35 | E | A | -3.2467 | |
| 36 | D | A | -3.4443 | |
| 37 | S | A | -2.5621 | |
| 38 | V | A | 0.0000 | |
| 39 | T | A | -1.6864 | |
| 40 | I | A | 0.0000 | |
| 41 | F | A | 0.0000 | |
| 42 | F | A | 0.0000 | |
| 43 | E | A | -3.0350 | |
| 44 | N | A | -2.8792 | |
| 45 | N | A | -2.5179 | |
| 46 | W | A | -1.6934 | |
| 47 | Q | A | -1.8715 | |
| 48 | S | A | -1.7862 | |
| 49 | E | A | -2.5848 | |
| 50 | R | A | -3.1054 | |
| 51 | Q | A | -2.6798 | |
| 52 | I | A | 0.0000 | |
| 53 | P | A | -1.7582 | |
| 54 | F | A | 0.0000 | |
| 55 | G | A | -1.1706 | |
| 56 | D | A | -1.2006 | |
| 57 | V | A | 0.0000 | |
| 58 | R | A | 0.0000 | |
| 59 | L | A | 0.1857 | |
| 60 | P | A | -0.2040 | |
| 61 | P | A | -0.4895 | |
| 62 | P | A | -0.9039 | |
| 63 | A | A | -1.0778 | |
| 64 | D | A | -2.2753 | |
| 65 | Y | A | -1.8417 | |
| 66 | N | A | -2.8564 | |
| 67 | K | A | -3.0419 | |
| 68 | E | A | -2.8420 | |
| 69 | I | A | -1.9491 | |
| 70 | T | A | -2.2303 | |
| 71 | E | A | -2.8482 | |
| 72 | G | A | -2.7772 | |
| 73 | D | A | -3.1867 | |
| 74 | E | A | -3.1321 | |
| 75 | V | A | 0.0000 | |
| 76 | E | A | 0.0000 | |
| 77 | V | A | 0.0000 | |
| 78 | Y | A | 0.0757 | |
| 79 | S | A | -0.4928 | |
| 80 | R | A | -2.1014 | |
| 81 | A | A | -1.6757 | |
| 82 | N | A | -2.4255 | |
| 83 | E | A | -3.0813 | |
| 84 | Q | A | -2.5712 | |
| 85 | E | A | -1.9825 | |
| 86 | P | A | -1.6254 | |
| 87 | C | A | -0.8569 | |
| 88 | G | A | 0.0000 | |
| 89 | W | A | 0.0661 | |
| 90 | C | A | 0.1783 | |
| 91 | L | A | -0.0589 | |
| 92 | A | A | 0.0000 | |
| 93 | R | A | -3.1678 | |
| 94 | V | A | 0.0000 | |
| 95 | R | A | -2.3062 | |
| 96 | M | A | -0.8456 | |
| 97 | M | A | -0.6419 | |
| 98 | K | A | -1.5735 | |
| 99 | G | A | -1.4457 | |
| 100 | D | A | -1.5386 | |
| 101 | F | A | 0.9170 | |
| 102 | Y | A | 0.0000 | |
| 103 | V | A | 0.1950 | |
| 104 | I | A | 0.0000 | |
| 105 | E | A | 0.0000 | |
| 106 | Y | A | 0.0000 | |
| 107 | A | A | -0.4218 | |
| 108 | A | A | -0.0424 | |
| 109 | C | A | -0.3193 | |
| 110 | D | A | -1.3727 | |
| 111 | A | A | -0.4898 | |
| 112 | T | A | -0.1451 | |
| 113 | Y | A | 0.5342 | |
| 114 | N | A | -0.2308 | |
| 115 | E | A | 0.5293 | |
| 116 | I | A | 1.8785 | |
| 117 | V | A | 0.0000 | |
| 118 | T | A | 0.2544 | |
| 119 | L | A | 0.1252 | |
| 120 | E | A | -1.5786 | |
| 121 | R | A | -0.6823 | |
| 122 | L | A | 0.0000 | |
| 123 | R | A | -0.8938 | |
| 124 | P | A | -1.2293 | |
| 125 | V | A | -0.1527 | |
| 126 | N | A | 0.0000 | |
| 127 | S | A | -0.0324 | |
| 128 | S | A | 0.0374 | |
| 129 | S | A | 0.0705 | |
| 130 | L | A | 0.2607 | |
| 131 | A | A | 0.0000 | |
| 132 | T | A | -1.3823 | |
| 133 | K | A | -2.8410 | |
| 134 | G | A | -1.4244 | |
| 135 | S | A | -0.7542 | |
| 136 | F | A | 0.0000 | |
| 137 | F | A | -0.3896 | |
| 138 | K | A | -0.4773 | |
| 139 | V | A | -0.0684 | |
| 140 | T | A | -0.1669 | |
| 141 | M | A | -0.3185 | |
| 142 | A | A | -0.6983 | |
| 143 | V | A | 0.0000 | |
| 144 | P | A | -1.9012 | |
| 145 | E | A | -3.4793 | |
| 146 | D | A | -3.4347 | |
| 147 | L | A | 0.0000 | |
| 148 | R | A | -3.6818 | |
| 149 | E | A | -3.3211 | |
| 150 | A | A | -2.4703 | |
| 151 | C | A | 0.0000 | |
| 152 | S | A | -1.9020 | |
| 153 | N | A | -2.8617 | |
| 154 | E | A | -2.7037 | |
| 155 | N | A | -2.9967 | |
| 156 | V | A | -2.0035 | |
| 157 | H | A | 0.0000 | |
| 158 | K | A | -3.8778 | |
| 159 | E | A | -3.5792 | |
| 160 | F | A | 0.0000 | |
| 161 | K | A | -2.9982 | |
| 162 | K | A | -3.2339 | |
| 163 | A | A | -1.8554 | |
| 164 | L | A | 0.0000 | |
| 165 | G | A | -1.5731 | |
| 166 | A | A | 0.0000 | |
| 167 | N | A | -1.1309 | |
| 168 | C | A | 0.0000 | |
| 169 | I | A | 0.0000 | |
| 170 | F | A | -0.4488 | |
| 171 | L | A | -0.5087 | |
| 172 | N | A | -0.0268 | |
| 173 | I | A | 0.8982 | |
| 174 | T | A | 0.1237 | |
| 175 | N | A | -0.9173 | |
| 176 | S | A | -0.8756 | |
| 177 | E | A | -0.5717 | |
| 178 | L | A | 0.0000 | |
| 179 | F | A | 0.0000 | |
| 180 | I | A | 0.0000 | |
| 181 | L | A | 0.0000 | |
| 182 | S | A | 0.0000 | |
| 183 | T | A | -0.5399 | |
| 184 | T | A | -0.7814 | |
| 185 | E | A | -1.6567 | |
| 186 | A | A | -1.0290 | |
| 187 | P | A | 0.0000 | |
| 188 | V | A | -0.1335 | |
| 189 | K | A | -1.4510 | |
| 190 | R | A | -0.9712 | |
| 191 | A | A | 0.0000 | |
| 192 | S | A | -0.1078 | |
| 193 | L | A | 0.7901 | |
| 194 | L | A | 0.2026 | |
| 195 | G | A | 0.0000 | |
| 196 | D | A | -1.2962 | |
| 197 | M | A | 0.0097 | |
| 198 | H | A | 0.0000 | |
| 199 | F | A | 0.0000 | |
| 200 | R | A | -1.4935 | |
| 201 | S | A | -0.9878 | |
| 202 | L | A | 0.0000 | |
| 203 | R | A | -1.5002 | |
| 204 | T | A | -0.6572 | |
| 205 | K | A | -0.7981 | |
| 206 | L | A | -0.3674 | |
| 207 | L | A | 0.0777 | |
| 208 | L | A | -0.2621 | |
| 209 | M | A | -0.7546 | |
| 210 | S | A | -1.4655 | |
| 211 | R | A | -2.5861 | |
| 212 | N | A | -3.0538 | |
| 213 | E | A | -3.5912 | |
| 214 | E | A | -3.4711 | |
| 215 | A | A | -2.5681 | |
| 216 | T | A | -2.6335 | |
| 217 | K | A | -3.7021 | |
| 218 | H | A | -2.7114 | |
| 219 | L | A | -1.3502 | |
| 220 | E | A | -2.9666 | |
| 221 | T | A | -2.0500 | |
| 222 | S | A | -1.6660 | |
| 223 | K | A | -2.5887 | |
| 224 | Q | A | -1.9869 | |
| 225 | L | A | -0.8061 | |
| 226 | A | A | -0.7597 | |
| 227 | A | A | -0.6819 | |
| 228 | A | A | -0.5770 | |
| 229 | F | A | -0.2253 | |
| 230 | Q | A | -1.2788 | |
| 231 | E | A | -1.8213 | |
| 232 | E | A | -2.1331 | |
| 233 | F | A | 0.0000 | |
| 234 | T | A | -0.9428 | |
| 235 | V | A | 0.0000 | |
| 236 | R | A | -2.5827 | |
| 237 | E | A | -3.5731 | |
| 238 | D | A | -3.0001 | |
| 239 | L | A | 0.0000 | |
| 240 | M | A | -1.5417 | |
| 241 | G | A | -1.0964 | |
| 242 | L | A | 0.0371 | |
| 243 | A | A | 0.0000 | |
| 244 | I | A | 0.0970 | |
| 245 | G | A | -0.5045 | |
| 246 | T | A | -0.5895 | |
| 247 | H | A | -0.9681 | |
| 248 | G | A | -0.4289 | |
| 249 | A | A | -0.8980 | |
| 250 | N | A | -1.0070 | |
| 251 | I | A | 0.0000 | |
| 252 | Q | A | -1.9521 | |
| 253 | Q | A | -2.0448 | |
| 254 | A | A | 0.0000 | |
| 255 | R | A | -1.9279 | |
| 256 | K | A | -2.5626 | |
| 257 | V | A | 0.0000 | |
| 258 | P | A | -1.3216 | |
| 259 | G | A | -1.3397 | |
| 260 | V | A | -1.2811 | |
| 261 | T | A | -0.5651 | |
| 262 | A | A | -0.7152 | |
| 263 | I | A | 0.0000 | |
| 264 | E | A | -1.5708 | |
| 265 | L | A | -1.3323 | |
| 266 | G | A | -1.8676 | |
| 267 | E | A | -2.7116 | |
| 268 | E | A | -2.8649 | |
| 269 | T | A | -1.8770 | |
| 270 | C | A | -1.8017 | |
| 271 | T | A | -1.6664 | |
| 272 | F | A | 0.0000 | |
| 273 | R | A | -2.1227 | |
| 274 | I | A | 0.0000 | |
| 275 | Y | A | -0.7839 | |
| 276 | G | A | 0.0000 | |
| 277 | E | A | -1.9695 | |
| 278 | T | A | -1.6240 | |
| 279 | P | A | -1.8922 | |
| 280 | E | A | -2.9564 | |
| 281 | A | A | 0.0000 | |
| 282 | C | A | 0.0000 | |
| 283 | R | A | -3.0563 | |
| 284 | Q | A | -2.2561 | |
| 285 | A | A | 0.0000 | |
| 286 | R | A | -1.9973 | |
| 287 | S | A | -1.5112 | |
| 288 | Y | A | -0.7679 | |
| 289 | L | A | 0.0000 | |
| 290 | E | A | -1.3115 | |
| 291 | F | A | 0.0000 | |
| 292 | S | A | -1.5167 | |
| 293 | E | A | -1.3139 | |
| 294 | D | A | -1.4430 | |
| 295 | S | A | -0.9848 | |
| 296 | V | A | 0.0000 | |
| 297 | Q | A | -1.2979 | |
| 298 | V | A | 0.0000 | |
| 299 | P | A | -1.7450 | |
| 300 | R | A | -3.0809 | |
| 301 | D | A | -2.9206 | |
| 302 | L | A | 0.0000 | |
| 303 | V | A | -1.5030 | |
| 304 | G | A | -1.9094 | |
| 305 | K | A | -1.9696 | |
| 306 | V | A | 0.0000 | |
| 307 | T | A | -1.2673 | |
| 308 | G | A | -1.9595 | |
| 309 | K | A | -2.4591 | |
| 310 | T | A | -1.6271 | |
| 311 | G | A | -1.9376 | |
| 312 | K | A | -2.5176 | |
| 313 | V | A | -1.6103 | |
| 314 | I | A | 0.0000 | |
| 315 | Q | A | -2.5372 | |
| 316 | G | A | -2.0293 | |
| 317 | I | A | 0.0000 | |
| 318 | V | A | 0.0000 | |
| 319 | D | A | -2.9406 | |
| 320 | K | A | -3.0634 | |
| 321 | S | A | 0.0000 | |
| 322 | G | A | -1.7190 | |
| 323 | V | A | 0.0000 | |
| 324 | V | A | 0.9695 | |
| 325 | R | A | -0.6102 | |
| 326 | V | A | -0.3730 | |
| 327 | R | A | -0.7951 | |
| 328 | V | A | -0.6621 | |
| 329 | E | A | -2.5357 | |
| 330 | G | A | -2.7707 | |
| 331 | D | A | -4.3476 | |
| 332 | N | A | -4.1485 | |
| 333 | D | A | -4.8388 | |
| 334 | K | A | -4.3024 | |
| 335 | K | A | -4.2387 | |
| 336 | N | A | -4.1509 | |
| 337 | P | A | -3.8379 | |
| 338 | K | A | -3.8670 | |
| 339 | E | A | -3.1829 | |
| 340 | G | A | -2.2730 | |
| 341 | G | A | -2.3067 | |
| 342 | M | A | -2.0898 | |
| 343 | V | A | 0.0000 | |
| 344 | P | A | 0.0000 | |
| 345 | F | A | 0.0000 | |
| 346 | I | A | -0.7433 | |
| 347 | F | A | 0.0000 | |
| 348 | V | A | 0.0000 | |
| 349 | G | A | 0.0000 | |
| 350 | T | A | -1.4011 | |
| 351 | R | A | -3.0564 | |
| 352 | E | A | -2.8497 | |
| 353 | N | A | -2.2532 | |
| 354 | I | A | 0.0000 | |
| 355 | S | A | -1.9691 | |
| 356 | N | A | -2.3233 | |
| 357 | A | A | 0.0000 | |
| 358 | Q | A | -1.2601 | |
| 359 | A | A | -0.6472 | |
| 360 | L | A | -0.4326 | |
| 361 | L | A | 0.0000 | |
| 362 | E | A | -1.2007 | |
| 363 | Y | A | 0.6575 | |
| 364 | H | A | -0.1207 | |
| 365 | L | A | 0.0000 | |
| 366 | S | A | -0.5144 | |
| 367 | Y | A | 0.2187 | |
| 368 | L | A | 0.0000 | |
| 369 | Q | A | -1.6082 | |
| 370 | E | A | -1.7411 | |
| 371 | V | A | -0.7039 | |
| 372 | E | A | -1.7633 | |
| 373 | T | A | -1.3965 | |
| 374 | L | A | -1.4737 | |
| 375 | R | A | -2.2945 | |
| 376 | L | A | -1.0864 | |
| 377 | E | A | -2.5443 | |
| 378 | R | A | -2.8923 | |
| 379 | L | A | -1.2443 | |
| 380 | Q | A | -2.2018 | |
| 381 | I | A | -1.3657 | |
| 382 | D | A | -2.4250 | |
| 383 | E | A | -2.8434 | |
| 384 | Q | A | -1.6531 | |
| 385 | L | A | -0.3740 | |
| 386 | R | A | -2.5209 | |
| 387 | Q | A | -1.6758 | |
| 388 | I | A | 0.2584 | |
| 389 | G | A | -0.5268 | |
| 390 | A | A | -0.5361 | |
| 391 | G | A | -0.2936 | |
| 392 | F | A | 0.7246 | |
| 393 | R | A | -1.3245 | |
| 394 | P | A | -1.0121 | |
| 395 | P | A | -0.9406 | |
| 396 | G | A | -1.0999 | |
| 397 | S | A | -1.2014 | |
| 398 | G | A | -1.7185 | |
| 399 | R | A | -2.4361 | |
| 400 | G | A | -1.7440 | |
| 401 | G | A | -1.3232 | |
| 402 | S | A | -0.9061 | |
| 403 | G | A | -1.0611 | |
| 404 | G | A | -1.1132 | |
| 405 | G | A | -1.2981 | |
| 406 | S | A | -1.7995 | |
| 407 | D | A | -2.8968 | |
| 408 | K | A | -2.7640 | |
| 409 | A | A | -1.0615 | |
| 410 | G | A | -0.0600 | |
| 411 | Y | A | 1.0259 | |
| 412 | T | A | 0.0465 | |
| 413 | T | A | -1.0671 | |
| 414 | D | A | -2.9217 | |
| 415 | E | A | -3.0014 | |
| 416 | S | A | -1.8781 | |
| 417 | S | A | -1.0595 | |
| 418 | S | A | -0.7118 | |
| 419 | S | A | -0.1221 | |
| 420 | S | A | 0.1417 | |
| 421 | L | A | 0.8646 | |
| 422 | H | A | -0.4828 | |
| 423 | T | A | -0.5912 | |
| 424 | T | A | -1.2993 | |
| 425 | R | A | -1.7591 | |
| 426 | T | A | -0.4701 | |
| 427 | Y | A | 0.5741 | |
| 428 | G | A | -0.1206 | |
| 429 | G | A | -0.3000 | |
| 430 | S | A | -0.0594 | |
| 431 | Y | A | 0.7729 | |
| 432 | G | A | -0.6082 | |
| 433 | G | A | -1.4353 | |
| 434 | R | A | -2.8840 | |
| 435 | G | A | -2.7546 | |
| 436 | R | A | -3.2207 | |
| 437 | G | A | -3.1152 | |
| 438 | R | A | -3.4845 | |
| 439 | R | A | -3.0046 | |
| 440 | T | A | -1.6564 | |
| 441 | G | A | -1.1503 | |
| 442 | G | A | -0.8453 | |
| 443 | P | A | -0.3342 | |
| 444 | A | A | 0.3042 | |
| 445 | Y | A | 1.0112 | |
| 446 | G | A | 0.0154 | |
| 447 | P | A | -0.3457 | |
| 448 | S | A | -0.9132 | |
| 449 | S | A | -1.3059 | |
| 450 | D | A | -2.1286 | |
| 451 | P | A | -1.4430 | |
| 452 | S | A | -0.7583 | |
| 453 | T | A | -0.4254 | |
| 454 | A | A | -0.5479 | |
| 455 | S | A | -1.1649 | |
| 456 | E | A | -2.3353 | |
| 457 | T | A | -2.2329 | |
| 458 | E | A | -2.7392 | |
| 459 | S | A | -2.7636 | |
| 460 | E | A | -3.5173 | |
| 461 | K | A | -3.9014 | |
| 462 | R | A | -4.4319 | |
| 463 | E | A | -4.1563 | |
| 464 | E | A | -3.4320 | |
| 465 | S | A | -2.4543 | |
| 466 | N | A | -2.6444 | |
| 467 | R | A | -2.5855 | |
| 468 | A | A | -1.4076 | |
| 469 | G | A | -1.0308 | |
| 470 | P | A | -1.0705 | |
| 471 | G | A | -2.0629 | |
| 472 | D | A | -3.3175 | |
| 473 | R | A | -3.7751 | |
| 474 | D | A | -3.3086 | |
| 475 | P | A | -1.8280 | |
| 476 | P | A | -1.2064 | |
| 477 | S | A | -1.3477 | |
| 478 | R | A | -2.6083 | |
| 479 | G | A | -2.8233 | |
| 480 | E | A | -3.5457 | |
| 481 | E | A | -3.4225 | |
| 482 | S | A | -2.7833 | |
| 483 | R | A | -3.7414 | |
| 484 | R | A | -4.1652 | |
| 485 | R | A | -3.7821 | |
| 486 | R | A | -2.4475 | |
| 487 | L | A | -0.1942 | |
| 488 | G | A | -0.4355 | |
| 489 | P | A | -0.7044 | |
| 490 | G | A | -1.5832 | |
| 491 | K | A | -2.2525 | |
| 492 | G | A | -1.5978 | |
| 493 | P | A | -0.8057 | |
| 494 | P | A | -0.2288 | |
| 495 | P | A | 0.0451 | |
| 496 | V | A | 0.9327 | |
| 497 | P | A | -0.4658 | |
| 498 | R | A | -1.7089 | |
| 499 | P | A | -1.3620 | |
| 500 | T | A | -1.1260 | |
| 501 | S | A | -1.2260 | |
| 502 | R | A | -1.6916 | |
| 503 | Y | A | -0.3581 | |
| 504 | N | A | -1.2870 | |
| 505 | S | A | -0.8284 | |
| 506 | S | A | -0.2805 | |
| 507 | S | A | -0.1188 | |
| 508 | I | A | 0.7785 | |
| 509 | S | A | 0.0282 | |
| 510 | S | A | -0.6048 | |
| 511 | V | A | -0.5679 | |
| 512 | L | A | 0.2471 | |
| 513 | K | A | -1.8884 | |
| 514 | D | A | -2.6834 | |
| 515 | P | A | -2.0223 | |
| 516 | D | A | -2.7624 | |
| 517 | S | A | -2.0881 | |
| 518 | N | A | -1.7477 | |
| 519 | P | A | -0.4244 | |
| 520 | Y | A | 0.3694 | |
| 521 | S | A | -0.3053 | |
| 522 | L | A | 0.3671 | |
| 523 | L | A | 0.3741 | |
| 524 | D | A | -1.4106 | |
| 525 | T | A | -1.2372 | |
| 526 | S | A | -1.8199 | |
| 527 | E | A | -2.7868 | |
| 528 | P | A | -2.1667 | |
| 529 | E | A | -2.4037 | |
| 530 | P | A | -1.3056 | |
| 531 | P | A | -0.5052 | |
| 532 | V | A | 0.4388 | |
| 533 | D | A | -1.5575 | |
| 534 | S | A | -1.6601 | |
| 535 | E | A | -2.5373 | |
| 536 | P | A | -1.9846 | |
| 537 | G | A | -1.9338 | |
| 538 | E | A | -2.2709 | |
| 539 | P | A | -1.4171 | |
| 540 | P | A | -0.8836 | |
| 541 | P | A | -0.4548 | |
| 542 | A | A | -0.4259 | |
| 543 | S | A | -0.6007 | |
| 544 | A | A | -1.3129 | |
| 545 | R | A | -3.6027 | |
| 546 | R | A | -4.3747 | |
| 547 | R | A | -4.1497 | |
| 548 | R | A | -4.0341 | |
| 549 | S | A | -3.2838 | |
| 550 | R | A | -3.6820 | |
| 551 | R | A | -4.2045 | |
| 552 | R | A | -4.3328 | |
| 553 | R | A | -3.6936 | |
| 554 | T | A | -3.0086 | |
| 555 | D | A | -3.6989 | |
| 556 | E | A | -3.9719 | |
| 557 | D | A | -3.9644 | |
| 558 | R | A | -2.6260 | |
| 559 | T | A | -0.1048 | |
| 560 | V | A | 1.5226 | |
| 561 | M | A | 0.8558 | |
| 562 | D | A | -1.1916 | |
| 563 | G | A | -0.9279 | |
| 564 | A | A | -0.0788 | |
| 565 | L | A | 0.5729 | |
| 566 | E | A | -1.6339 | |
| 567 | S | A | -1.9570 | |
| 568 | D | A | -2.6211 | |
| 569 | G | A | -2.0488 | |
| 570 | P | A | -1.2165 | |
| 571 | N | A | -0.9163 | |
| 572 | M | A | -0.1224 | |
| 573 | T | A | -1.1017 | |
| 574 | E | A | -2.3280 | |
| 575 | N | A | -2.0325 | |
| 576 | G | A | -0.9620 | |
| 577 | L | A | -0.2151 | |
| 578 | E | A | -2.4589 | |
| 579 | D | A | -3.6018 | |
| 580 | E | A | -3.6802 | |
| 581 | S | A | -2.5006 | |
| 582 | R | A | -2.9183 | |
| 583 | P | A | -2.3780 | |
| 584 | Q | A | -3.0032 | |
| 585 | R | A | -3.9131 | |
| 586 | R | A | -4.0546 | |
| 587 | N | A | -3.8419 | |
| 588 | R | A | -3.6300 | |
| 589 | S | A | -2.9713 | |
| 590 | R | A | -4.0085 | |
| 591 | R | A | -4.2383 | |
| 592 | R | A | -4.6299 | |
| 593 | R | A | -4.4927 | |
| 594 | N | A | -3.9539 | |
| 595 | R | A | -3.8296 | |
| 596 | G | A | -2.8920 | |
| 597 | N | A | -3.1994 | |
| 598 | R | A | -3.3334 | |
| 599 | T | A | -2.5021 | |
| 600 | D | A | -2.7030 | |
| 601 | G | A | -1.1943 | |
| 602 | S | A | 0.1967 | |
| 603 | I | A | 1.5853 | |
| 604 | S | A | -0.1831 | |
| 605 | G | A | -1.6799 | |
| 606 | D | A | -3.3100 | |
| 607 | R | A | -3.4043 | |
| 608 | Q | A | -2.5832 | |
| 609 | P | A | -1.1121 | |
| 610 | V | A | 0.3001 | |
| 611 | T | A | 0.8575 | |
| 612 | V | A | 1.4424 | |
| 613 | A | A | 0.5204 | |
| 614 | D | A | 0.4923 | |
| 615 | Y | A | 1.0849 | |
| 616 | I | A | 0.1912 | |
| 617 | S | A | -0.9247 | |
| 618 | R | A | -2.3126 | |
| 619 | A | A | -1.9302 | |
| 620 | E | A | -2.8047 | |
| 621 | S | A | -2.5586 | |
| 622 | Q | A | -2.9020 | |
| 623 | S | A | -2.6094 | |
| 624 | R | A | -3.3802 | |
| 625 | Q | A | -3.1174 | |
| 626 | R | A | -2.6821 | |
| 627 | P | A | -1.2521 | |
| 628 | L | A | 0.0691 | |
| 629 | G | A | -0.9358 | |
| 630 | R | A | -2.1845 | |
| 631 | T | A | -1.8693 | |
| 632 | E | A | -2.6717 | |
| 633 | P | A | -1.6975 | |
| 634 | S | A | -2.1009 | |
| 635 | E | A | -3.0998 | |
| 636 | D | A | -2.5165 | |
| 637 | S | A | -0.6807 | |
| 638 | L | A | 0.8598 | |
| 639 | S | A | -0.0011 | |
| 640 | G | A | -1.1839 | |
| 641 | Q | A | -2.4887 | |
| 642 | K | A | -3.0277 | |
| 643 | G | A | -2.4286 | |
| 644 | D | A | -2.0390 | |
| 645 | S | A | -0.3599 | |
| 646 | V | A | 0.8133 | |
| 647 | S | A | 0.0252 | |
| 648 | K | A | -0.7734 | |
| 649 | L | A | 0.1778 | |
| 650 | P | A | -0.7921 | |
| 651 | K | A | -1.7735 | |
| 652 | G | A | -1.5219 | |
| 653 | P | A | -1.5137 | |
| 654 | S | A | -1.8040 | |
| 655 | E | A | -2.7672 | |
| 656 | N | A | -2.9501 | |
| 657 | G | A | -2.0406 | |
| 658 | E | A | -1.5099 | |
| 659 | L | A | 0.3146 | |
| 660 | S | A | 0.1146 | |
| 661 | A | A | 0.4172 | |
| 662 | P | A | 0.1253 | |
| 663 | L | A | 0.8335 | |
| 664 | E | A | -0.4368 | |
| 665 | L | A | 0.6757 | |
| 666 | G | A | 0.1171 | |
| 667 | S | A | 1.0141 | |
| 668 | L | A | 1.9634 | |
| 669 | V | A | 1.7204 | |
| 670 | N | A | 0.1306 | |
| 671 | G | A | 0.1342 | |
| 672 | V | A | 1.1866 | |
| 673 | S | A | 0.5459 |
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 | -1.105 | 4.0351 | View | CSV | PDB |
| 4.5 | -1.2087 | 4.0351 | View | CSV | PDB |
| 5.0 | -1.3416 | 4.0351 | View | CSV | PDB |
| 5.5 | -1.4825 | 4.0351 | View | CSV | PDB |
| 6.0 | -1.6096 | 4.0351 | View | CSV | PDB |
| 6.5 | -1.7036 | 4.0351 | View | CSV | PDB |
| 7.0 | -1.7575 | 4.0351 | View | CSV | PDB |
| 7.5 | -1.7812 | 4.0351 | View | CSV | PDB |
| 8.0 | -1.7881 | 4.0351 | View | CSV | PDB |
| 8.5 | -1.7837 | 4.0351 | View | CSV | PDB |
| 9.0 | -1.7673 | 4.0351 | 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