| Chain sequence(s) |
A: VQIVYKPVDLSKVTSKCGSLGNIHHKPGGGQVEVKSEKLDFKDRVQSKIGSLDNITHVPGGGNKKIETHKLTF
C: VQIVYKPVDLSKVTSKCGSLGNIHHKPGGGQVEVKSEKLDFKDRVQSKIGSLDNITHVPGGGNKKIETHKLTF B: VQIVYKPVDLSKVTSKCGSLGNIHHKPGGGQVEVKSEKLDFKDRVQSKIGSLDNITHVPGGGNKKIETHKLTF E: VQIVYKPVDLSKVTSKCGSLGNIHHKPGGGQVEVKSEKLDFKDRVQSKIGSLDNITHVPGGGNKKIETHKLTF D: VQIVYKPVDLSKVTSKCGSLGNIHHKPGGGQVEVKSEKLDFKDRVQSKIGSLDNITHVPGGGNKKIETHKLTF G: VQIVYKPVDLSKVTSKCGSLGNIHHKPGGGQVEVKSEKLDFKDRVQSKIGSLDNITHVPGGGNKKIETHKLTF F: VQIVYKPVDLSKVTSKCGSLGNIHHKPGGGQVEVKSEKLDFKDRVQSKIGSLDNITHVPGGGNKKIETHKLTF I: VQIVYKPVDLSKVTSKCGSLGNIHHKPGGGQVEVKSEKLDFKDRVQSKIGSLDNITHVPGGGNKKIETHKLTF H: VQIVYKPVDLSKVTSKCGSLGNIHHKPGGGQVEVKSEKLDFKDRVQSKIGSLDNITHVPGGGNKKIETHKLTF J: VQIVYKPVDLSKVTSKCGSLGNIHHKPGGGQVEVKSEKLDFKDRVQSKIGSLDNITHVPGGGNKKIETHKLTF input PDB |
| Selected Chain(s) | A,C,B,E,D,G,F,I,H,J |
| Distance of aggregation | 10 Å |
| FoldX usage | Yes |
| pH calculations | Yes |
| alphaCutter usage | No |
| Dynamic mode | No |
| Automated mutations | No |
| Downloads | Download all the data |
| Simulation log |
[INFO] Logger: Verbosity set to: 2 - [INFO] (00:00:01)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:01)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with all chain(s) selected (00:00:01)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:01)
[INFO] PDB-Info: The input structure is partially or entirely disordered. Average score is
recommended for pH analysis. (00:00:03)
[INFO] FoldX: Starting FoldX energy minimization (00:00:03)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:31:20)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/f71a6f3b93cfd7e/tmp/folded.pdb (00:31:20)
[INFO] Main: Simulation completed successfully. (00:38:16)
|
The table below lists A4D score for protein residues. Residues with A4D score > 0.0000 are marked by yellow rows.
| residue index | residue name | chain | Aggrescan4D score | mutation |
|---|---|---|---|---|
| 306 | V | A | 1.8569 | |
| 307 | Q | A | 0.5042 | |
| 308 | I | A | 1.4641 | |
| 309 | V | A | 1.2750 | |
| 310 | Y | A | 0.3913 | |
| 311 | K | A | -1.1357 | |
| 312 | P | A | -0.2303 | |
| 313 | V | A | 0.9266 | |
| 314 | D | A | -0.1893 | |
| 315 | L | A | 0.8651 | |
| 316 | S | A | -0.6577 | |
| 317 | K | A | -1.5208 | |
| 318 | V | A | -1.0839 | |
| 319 | T | A | -1.2760 | |
| 320 | S | A | -1.4749 | |
| 321 | K | A | -2.2597 | |
| 322 | C | A | -1.0637 | |
| 323 | G | A | -0.9793 | |
| 324 | S | A | -0.6192 | |
| 325 | L | A | -0.0039 | |
| 326 | G | A | -0.7223 | |
| 327 | N | A | -1.4446 | |
| 328 | I | A | -0.6635 | |
| 329 | H | A | -1.3042 | |
| 330 | H | A | -0.9747 | |
| 331 | K | A | -1.6635 | |
| 332 | P | A | -1.0818 | |
| 333 | G | A | -1.1158 | |
| 334 | G | A | -1.0419 | |
| 335 | G | A | -1.0577 | |
| 336 | Q | A | -1.6880 | |
| 337 | V | A | -1.0626 | |
| 338 | E | A | -2.2293 | |
| 339 | V | A | -1.5233 | |
| 340 | K | A | -3.0453 | |
| 341 | S | A | -2.7208 | |
| 342 | E | A | -3.7923 | |
| 343 | K | A | -3.5760 | |
| 344 | L | A | -1.9756 | |
| 345 | D | A | -2.7738 | |
| 346 | F | A | -2.8328 | |
| 347 | K | A | -4.0287 | |
| 348 | D | A | -3.8411 | |
| 349 | R | A | -4.0678 | |
| 350 | V | A | -2.6175 | |
| 351 | Q | A | -2.6973 | |
| 352 | S | A | -1.5467 | |
| 353 | K | A | -2.0685 | |
| 354 | I | A | -0.9775 | |
| 355 | G | A | -0.9874 | |
| 356 | S | A | -0.8634 | |
| 357 | L | A | -0.2557 | |
| 358 | D | A | -0.3627 | |
| 359 | N | A | -0.0778 | |
| 360 | I | A | 1.1355 | |
| 361 | T | A | 0.0000 | |
| 362 | H | A | -0.5774 | |
| 363 | V | A | -0.1195 | |
| 364 | P | A | -0.4180 | |
| 365 | G | A | 0.0000 | |
| 366 | G | A | -1.0518 | |
| 367 | G | A | -1.1042 | |
| 368 | N | A | -1.5622 | |
| 369 | K | A | -2.2539 | |
| 370 | K | A | -1.3416 | |
| 371 | I | A | 0.1140 | |
| 372 | E | A | -0.6585 | |
| 373 | T | A | -0.6812 | |
| 374 | H | A | -1.1696 | |
| 375 | K | A | -2.0069 | |
| 376 | L | A | -0.1338 | |
| 377 | T | A | 0.8197 | |
| 378 | F | A | 2.3824 | |
| 306 | V | B | 1.9589 | |
| 307 | Q | B | 0.5905 | |
| 308 | I | B | 1.4728 | |
| 309 | V | B | 1.2900 | |
| 310 | Y | B | 0.3371 | |
| 311 | K | B | -1.2242 | |
| 312 | P | B | -0.3300 | |
| 313 | V | B | 0.8029 | |
| 314 | D | B | -0.1979 | |
| 315 | L | B | 0.7674 | |
| 316 | S | B | -0.7092 | |
| 317 | K | B | -1.6247 | |
| 318 | V | B | -1.1046 | |
| 319 | T | B | -1.3037 | |
| 320 | S | B | -1.4429 | |
| 321 | K | B | -2.2289 | |
| 322 | C | B | -1.0467 | |
| 323 | G | B | -0.9687 | |
| 324 | S | B | -0.6163 | |
| 325 | L | B | 0.0036 | |
| 326 | G | B | -0.7075 | |
| 327 | N | B | -1.4170 | |
| 328 | I | B | -0.6395 | |
| 329 | H | B | -1.1613 | |
| 330 | H | B | -0.6677 | |
| 331 | K | B | -1.0937 | |
| 332 | P | B | -0.8952 | |
| 333 | G | B | -0.9091 | |
| 334 | G | B | -0.7099 | |
| 335 | G | B | -0.6550 | |
| 336 | Q | B | -0.9236 | |
| 337 | V | B | -0.7896 | |
| 338 | E | B | -2.1103 | |
| 339 | V | B | -1.4923 | |
| 340 | K | B | -2.8573 | |
| 341 | S | B | -2.5406 | |
| 342 | E | B | -3.5390 | |
| 343 | K | B | -3.5471 | |
| 344 | L | B | -2.0181 | |
| 345 | D | B | -2.7634 | |
| 346 | F | B | -2.5988 | |
| 347 | K | B | -3.5816 | |
| 348 | D | B | -3.2544 | |
| 349 | R | B | -3.5230 | |
| 350 | V | B | -2.2362 | |
| 351 | Q | B | -2.5360 | |
| 352 | S | B | -1.5391 | |
| 353 | K | B | -2.0891 | |
| 354 | I | B | -1.0006 | |
| 355 | G | B | -0.9359 | |
| 356 | S | B | -0.7983 | |
| 357 | L | B | -0.0447 | |
| 358 | D | B | -0.3094 | |
| 359 | N | B | 0.0808 | |
| 360 | I | B | 1.3607 | |
| 361 | T | B | 0.0000 | |
| 362 | H | B | -0.5236 | |
| 363 | V | B | -0.0975 | |
| 364 | P | B | -0.4152 | |
| 365 | G | B | 0.0000 | |
| 366 | G | B | -1.0233 | |
| 367 | G | B | -1.1028 | |
| 368 | N | B | -1.4976 | |
| 369 | K | B | -2.1282 | |
| 370 | K | B | -1.0310 | |
| 371 | I | B | 0.5301 | |
| 372 | E | B | -0.3244 | |
| 373 | T | B | -0.5329 | |
| 374 | H | B | -1.1011 | |
| 375 | K | B | -2.0294 | |
| 376 | L | B | -0.2813 | |
| 377 | T | B | 0.6061 | |
| 378 | F | B | 1.9640 | |
| 306 | V | C | 2.3006 | |
| 307 | Q | C | 0.9920 | |
| 308 | I | C | 0.0000 | |
| 309 | V | C | 0.2760 | |
| 310 | Y | C | 0.0000 | |
| 311 | K | C | -0.8200 | |
| 312 | P | C | 0.0000 | |
| 313 | V | C | 0.6715 | |
| 314 | D | C | 0.6393 | |
| 315 | L | C | 0.7881 | |
| 316 | S | C | 0.0000 | |
| 317 | K | C | -1.0346 | |
| 318 | V | C | 0.0000 | |
| 319 | T | C | -1.4208 | |
| 320 | S | C | 0.0000 | |
| 321 | K | C | -2.3236 | |
| 322 | C | C | 0.0000 | |
| 323 | G | C | -1.0552 | |
| 324 | S | C | -0.5707 | |
| 325 | L | C | 0.0000 | |
| 326 | G | C | -0.7430 | |
| 327 | N | C | -1.1784 | |
| 328 | I | C | 0.0000 | |
| 329 | H | C | -0.9693 | |
| 330 | H | C | 0.0000 | |
| 331 | K | C | 0.0000 | |
| 332 | P | C | 0.0000 | |
| 333 | G | C | 0.0000 | |
| 334 | G | C | 0.0000 | |
| 335 | G | C | 0.0000 | |
| 336 | Q | C | 0.0000 | |
| 337 | V | C | 0.0000 | |
| 338 | E | C | -1.6269 | |
| 339 | V | C | 0.0000 | |
| 340 | K | C | -2.9596 | |
| 341 | S | C | -3.2427 | |
| 342 | E | C | -4.0591 | |
| 343 | K | C | -3.7966 | |
| 344 | L | C | 0.0000 | |
| 345 | D | C | -3.0168 | |
| 346 | F | C | 0.0000 | |
| 347 | K | C | -4.2969 | |
| 348 | D | C | -4.5269 | |
| 349 | R | C | -5.1240 | |
| 350 | V | C | 0.0000 | |
| 351 | Q | C | -2.7874 | |
| 352 | S | C | -1.4503 | |
| 353 | K | C | -1.3237 | |
| 354 | I | C | 0.0000 | |
| 355 | G | C | 0.0000 | |
| 356 | S | C | 0.0000 | |
| 357 | L | C | 0.0000 | |
| 358 | D | C | 0.0000 | |
| 359 | N | C | 0.0000 | |
| 360 | I | C | 0.4872 | |
| 361 | T | C | 0.0000 | |
| 362 | H | C | -0.3488 | |
| 363 | V | C | 0.0000 | |
| 364 | P | C | 0.0000 | |
| 365 | G | C | 0.0000 | |
| 366 | G | C | 0.0000 | |
| 367 | G | C | -0.9497 | |
| 368 | N | C | 0.0000 | |
| 369 | K | C | -1.7068 | |
| 370 | K | C | 0.0000 | |
| 371 | I | C | 0.0140 | |
| 372 | E | C | 0.0000 | |
| 373 | T | C | -0.4942 | |
| 374 | H | C | 0.0000 | |
| 375 | K | C | -1.5208 | |
| 376 | L | C | 0.0000 | |
| 377 | T | C | 0.6567 | |
| 378 | F | C | 1.8791 | |
| 306 | V | D | 2.5466 | |
| 307 | Q | D | 1.1184 | |
| 308 | I | D | 0.0000 | |
| 309 | V | D | 0.3000 | |
| 310 | Y | D | 0.0000 | |
| 311 | K | D | -1.0149 | |
| 312 | P | D | 0.0000 | |
| 313 | V | D | 0.4180 | |
| 314 | D | D | 0.4896 | |
| 315 | L | D | 0.5982 | |
| 316 | S | D | 0.0000 | |
| 317 | K | D | -1.3404 | |
| 318 | V | D | 0.0000 | |
| 319 | T | D | -1.4531 | |
| 320 | S | D | 0.0000 | |
| 321 | K | D | -2.2267 | |
| 322 | C | D | 0.0000 | |
| 323 | G | D | -1.0331 | |
| 324 | S | D | -0.5481 | |
| 325 | L | D | 0.0000 | |
| 326 | G | D | -0.7012 | |
| 327 | N | D | -1.1057 | |
| 328 | I | D | 0.0000 | |
| 329 | H | D | -0.8687 | |
| 330 | H | D | 0.0000 | |
| 331 | K | D | 0.0000 | |
| 332 | P | D | 0.0000 | |
| 333 | G | D | 0.0000 | |
| 334 | G | D | 0.0000 | |
| 335 | G | D | 0.0000 | |
| 336 | Q | D | 0.0000 | |
| 337 | V | D | 0.0000 | |
| 338 | E | D | -1.3170 | |
| 339 | V | D | 0.0000 | |
| 340 | K | D | -2.4069 | |
| 341 | S | D | 0.0000 | |
| 342 | E | D | -3.3142 | |
| 343 | K | D | -3.3204 | |
| 344 | L | D | 0.0000 | |
| 345 | D | D | -2.9316 | |
| 346 | F | D | 0.0000 | |
| 347 | K | D | -3.4818 | |
| 348 | D | D | -3.4288 | |
| 349 | R | D | -3.9192 | |
| 350 | V | D | 0.0000 | |
| 351 | Q | D | -2.4991 | |
| 352 | S | D | 0.0000 | |
| 353 | K | D | -1.3857 | |
| 354 | I | D | 0.0000 | |
| 355 | G | D | 0.0000 | |
| 356 | S | D | 0.0000 | |
| 357 | L | D | 0.0000 | |
| 358 | D | D | 0.0000 | |
| 359 | N | D | 0.0000 | |
| 360 | I | D | 0.5850 | |
| 361 | T | D | 0.0000 | |
| 362 | H | D | -0.3405 | |
| 363 | V | D | 0.0000 | |
| 364 | P | D | 0.0000 | |
| 365 | G | D | 0.0000 | |
| 366 | G | D | 0.0000 | |
| 367 | G | D | -0.9615 | |
| 368 | N | D | 0.0000 | |
| 369 | K | D | -1.6663 | |
| 370 | K | D | 0.0000 | |
| 371 | I | D | 0.1669 | |
| 372 | E | D | 0.0000 | |
| 373 | T | D | -0.4202 | |
| 374 | H | D | 0.0000 | |
| 375 | K | D | -1.5575 | |
| 376 | L | D | 0.0000 | |
| 377 | T | D | 0.6540 | |
| 378 | F | D | 1.9959 | |
| 306 | V | E | 2.6151 | |
| 307 | Q | E | 0.8075 | |
| 308 | I | E | 0.0000 | |
| 309 | V | E | 0.1755 | |
| 310 | Y | E | 0.0000 | |
| 311 | K | E | -1.3000 | |
| 312 | P | E | 0.0000 | |
| 313 | V | E | 0.6855 | |
| 314 | D | E | 0.0000 | |
| 315 | L | E | 1.1997 | |
| 316 | S | E | 0.0000 | |
| 317 | K | E | -1.3191 | |
| 318 | V | E | 0.0000 | |
| 319 | T | E | 0.0000 | |
| 320 | S | E | 0.0000 | |
| 321 | K | E | -1.9299 | |
| 322 | C | E | 0.0000 | |
| 323 | G | E | -1.0311 | |
| 324 | S | E | -0.5865 | |
| 325 | L | E | 0.0000 | |
| 326 | G | E | -0.8693 | |
| 327 | N | E | -1.2635 | |
| 328 | I | E | 0.0000 | |
| 329 | H | E | -0.5980 | |
| 330 | H | E | 0.0000 | |
| 331 | K | E | 0.0000 | |
| 332 | P | E | 0.0000 | |
| 333 | G | E | 0.0000 | |
| 334 | G | E | 0.0000 | |
| 335 | G | E | 0.0000 | |
| 336 | Q | E | 0.0000 | |
| 337 | V | E | 0.0000 | |
| 338 | E | E | -1.1045 | |
| 339 | V | E | 0.0000 | |
| 340 | K | E | -2.6576 | |
| 341 | S | E | 0.0000 | |
| 342 | E | E | -3.2677 | |
| 343 | K | E | -3.2650 | |
| 344 | L | E | 0.0000 | |
| 345 | D | E | -2.9649 | |
| 346 | F | E | 0.0000 | |
| 347 | K | E | -4.2027 | |
| 348 | D | E | -4.5460 | |
| 349 | R | E | -4.9840 | |
| 350 | V | E | 0.0000 | |
| 351 | Q | E | -2.3418 | |
| 352 | S | E | -1.1740 | |
| 353 | K | E | -1.0380 | |
| 354 | I | E | 0.0000 | |
| 355 | G | E | 0.0000 | |
| 356 | S | E | 0.0000 | |
| 357 | L | E | 0.0000 | |
| 358 | D | E | 0.0000 | |
| 359 | N | E | 0.0000 | |
| 360 | I | E | 0.4891 | |
| 361 | T | E | 0.0000 | |
| 362 | H | E | -0.4732 | |
| 363 | V | E | 0.0000 | |
| 364 | P | E | 0.0000 | |
| 365 | G | E | 0.0000 | |
| 366 | G | E | 0.0000 | |
| 367 | G | E | -0.7301 | |
| 368 | N | E | 0.0000 | |
| 369 | K | E | -1.6826 | |
| 370 | K | E | 0.0000 | |
| 371 | I | E | 0.3290 | |
| 372 | E | E | 0.0000 | |
| 373 | T | E | -0.3508 | |
| 374 | H | E | 0.0000 | |
| 375 | K | E | -1.5213 | |
| 376 | L | E | 0.0000 | |
| 377 | T | E | 0.4349 | |
| 378 | F | E | 1.7059 | |
| 306 | V | F | 2.7081 | |
| 307 | Q | F | 0.7947 | |
| 308 | I | F | 0.0000 | |
| 309 | V | F | -0.0374 | |
| 310 | Y | F | 0.0000 | |
| 311 | K | F | -1.4868 | |
| 312 | P | F | 0.0000 | |
| 313 | V | F | 0.7289 | |
| 314 | D | F | 0.0000 | |
| 315 | L | F | 0.9893 | |
| 316 | S | F | 0.0000 | |
| 317 | K | F | -1.2269 | |
| 318 | V | F | 0.0000 | |
| 319 | T | F | 0.0000 | |
| 320 | S | F | 0.0000 | |
| 321 | K | F | -1.8285 | |
| 322 | C | F | 0.0000 | |
| 323 | G | F | -0.9817 | |
| 324 | S | F | -0.5668 | |
| 325 | L | F | 0.0000 | |
| 326 | G | F | -0.7969 | |
| 327 | N | F | -1.1417 | |
| 328 | I | F | 0.0000 | |
| 329 | H | F | -0.5648 | |
| 330 | H | F | 0.0000 | |
| 331 | K | F | 0.0000 | |
| 332 | P | F | 0.0000 | |
| 333 | G | F | 0.0000 | |
| 334 | G | F | 0.0000 | |
| 335 | G | F | 0.0000 | |
| 336 | Q | F | 0.0000 | |
| 337 | V | F | 0.0000 | |
| 338 | E | F | 0.0000 | |
| 339 | V | F | 0.0000 | |
| 340 | K | F | -2.1543 | |
| 341 | S | F | -2.5991 | |
| 342 | E | F | -3.0874 | |
| 343 | K | F | -3.1266 | |
| 344 | L | F | 0.0000 | |
| 345 | D | F | -2.7012 | |
| 346 | F | F | 0.0000 | |
| 347 | K | F | -3.6863 | |
| 348 | D | F | -3.8394 | |
| 349 | R | F | -4.3872 | |
| 350 | V | F | 0.0000 | |
| 351 | Q | F | -2.3083 | |
| 352 | S | F | 0.0000 | |
| 353 | K | F | -1.0795 | |
| 354 | I | F | 0.0000 | |
| 355 | G | F | 0.0000 | |
| 356 | S | F | 0.0000 | |
| 357 | L | F | 0.0000 | |
| 358 | D | F | 0.0000 | |
| 359 | N | F | 0.0000 | |
| 360 | I | F | 0.4977 | |
| 361 | T | F | 0.0000 | |
| 362 | H | F | -0.5355 | |
| 363 | V | F | 0.0000 | |
| 364 | P | F | 0.0000 | |
| 365 | G | F | 0.0000 | |
| 366 | G | F | 0.0000 | |
| 367 | G | F | -0.7087 | |
| 368 | N | F | 0.0000 | |
| 369 | K | F | -1.6594 | |
| 370 | K | F | 0.0000 | |
| 371 | I | F | 0.3906 | |
| 372 | E | F | 0.0000 | |
| 373 | T | F | -0.2907 | |
| 374 | H | F | 0.0000 | |
| 375 | K | F | -1.5223 | |
| 376 | L | F | 0.0000 | |
| 377 | T | F | 0.5281 | |
| 378 | F | F | 1.7917 | |
| 306 | V | G | 2.5615 | |
| 307 | Q | G | 0.9957 | |
| 308 | I | G | 0.0000 | |
| 309 | V | G | 0.0367 | |
| 310 | Y | G | 0.0000 | |
| 311 | K | G | -1.2136 | |
| 312 | P | G | 0.0000 | |
| 313 | V | G | 0.4009 | |
| 314 | D | G | 0.0000 | |
| 315 | L | G | 0.8190 | |
| 316 | S | G | 0.0000 | |
| 317 | K | G | -1.2446 | |
| 318 | V | G | 0.0000 | |
| 319 | T | G | -1.2355 | |
| 320 | S | G | 0.0000 | |
| 321 | K | G | -1.9535 | |
| 322 | C | G | 0.0000 | |
| 323 | G | G | -1.0879 | |
| 324 | S | G | -0.6706 | |
| 325 | L | G | 0.0000 | |
| 326 | G | G | -1.0510 | |
| 327 | N | G | -1.4595 | |
| 328 | I | G | 0.0000 | |
| 329 | H | G | -0.7528 | |
| 330 | H | G | 0.0000 | |
| 331 | K | G | 0.0000 | |
| 332 | P | G | 0.0000 | |
| 333 | G | G | 0.0000 | |
| 334 | G | G | 0.0000 | |
| 335 | G | G | 0.0000 | |
| 336 | Q | G | 0.0000 | |
| 337 | V | G | 0.0000 | |
| 338 | E | G | -1.1946 | |
| 339 | V | G | 0.0000 | |
| 340 | K | G | -2.5455 | |
| 341 | S | G | 0.0000 | |
| 342 | E | G | -3.7454 | |
| 343 | K | G | -3.5333 | |
| 344 | L | G | 0.0000 | |
| 345 | D | G | -2.7005 | |
| 346 | F | G | 0.0000 | |
| 347 | K | G | -4.1389 | |
| 348 | D | G | -4.4078 | |
| 349 | R | G | -4.8201 | |
| 350 | V | G | 0.0000 | |
| 351 | Q | G | -2.3123 | |
| 352 | S | G | 0.0000 | |
| 353 | K | G | -0.9850 | |
| 354 | I | G | 0.0000 | |
| 355 | G | G | 0.0000 | |
| 356 | S | G | 0.0000 | |
| 357 | L | G | 0.0000 | |
| 358 | D | G | -0.5681 | |
| 359 | N | G | 0.0000 | |
| 360 | I | G | -0.1300 | |
| 361 | T | G | 0.0000 | |
| 362 | H | G | -0.3919 | |
| 363 | V | G | 0.0000 | |
| 364 | P | G | 0.0000 | |
| 365 | G | G | 0.0000 | |
| 366 | G | G | 0.0000 | |
| 367 | G | G | -1.1394 | |
| 368 | N | G | 0.0000 | |
| 369 | K | G | -2.3759 | |
| 370 | K | G | 0.0000 | |
| 371 | I | G | -0.3499 | |
| 372 | E | G | 0.0000 | |
| 373 | T | G | -0.7506 | |
| 374 | H | G | 0.0000 | |
| 375 | K | G | -1.8472 | |
| 376 | L | G | 0.0000 | |
| 377 | T | G | 0.7098 | |
| 378 | F | G | 2.0123 | |
| 306 | V | H | 2.6456 | |
| 307 | Q | H | 1.0441 | |
| 308 | I | H | 0.0000 | |
| 309 | V | H | -0.2154 | |
| 310 | Y | H | 0.0000 | |
| 311 | K | H | -1.4239 | |
| 312 | P | H | 0.0000 | |
| 313 | V | H | 0.6036 | |
| 314 | D | H | 0.0000 | |
| 315 | L | H | 1.0262 | |
| 316 | S | H | 0.0000 | |
| 317 | K | H | -1.0952 | |
| 318 | V | H | 0.0000 | |
| 319 | T | H | 0.0000 | |
| 320 | S | H | 0.0000 | |
| 321 | K | H | -1.8469 | |
| 322 | C | H | 0.0000 | |
| 323 | G | H | -1.0403 | |
| 324 | S | H | -0.6460 | |
| 325 | L | H | 0.0000 | |
| 326 | G | H | -0.9799 | |
| 327 | N | H | -1.3178 | |
| 328 | I | H | 0.0000 | |
| 329 | H | H | -0.8258 | |
| 330 | H | H | 0.0000 | |
| 331 | K | H | 0.0000 | |
| 332 | P | H | 0.0000 | |
| 333 | G | H | 0.0000 | |
| 334 | G | H | 0.0000 | |
| 335 | G | H | 0.0000 | |
| 336 | Q | H | 0.0000 | |
| 337 | V | H | 0.0000 | |
| 338 | E | H | -0.8837 | |
| 339 | V | H | 0.0000 | |
| 340 | K | H | -2.4148 | |
| 341 | S | H | 0.0000 | |
| 342 | E | H | -3.8592 | |
| 343 | K | H | -3.7186 | |
| 344 | L | H | 0.0000 | |
| 345 | D | H | -2.5638 | |
| 346 | F | H | 0.0000 | |
| 347 | K | H | -3.6764 | |
| 348 | D | H | -3.7732 | |
| 349 | R | H | -4.6246 | |
| 350 | V | H | 0.0000 | |
| 351 | Q | H | -2.4812 | |
| 352 | S | H | -1.2020 | |
| 353 | K | H | -1.0134 | |
| 354 | I | H | 0.0000 | |
| 355 | G | H | 0.0000 | |
| 356 | S | H | 0.0000 | |
| 357 | L | H | 0.0000 | |
| 358 | D | H | -0.5239 | |
| 359 | N | H | 0.0000 | |
| 360 | I | H | -0.1685 | |
| 361 | T | H | 0.0000 | |
| 362 | H | H | -0.4699 | |
| 363 | V | H | 0.0000 | |
| 364 | P | H | 0.0000 | |
| 365 | G | H | 0.0000 | |
| 366 | G | H | 0.0000 | |
| 367 | G | H | -1.0929 | |
| 368 | N | H | 0.0000 | |
| 369 | K | H | -2.2027 | |
| 370 | K | H | 0.0000 | |
| 371 | I | H | -0.2407 | |
| 372 | E | H | 0.0000 | |
| 373 | T | H | -0.6324 | |
| 374 | H | H | 0.0000 | |
| 375 | K | H | -1.7878 | |
| 376 | L | H | 0.0000 | |
| 377 | T | H | 0.7062 | |
| 378 | F | H | 2.0262 | |
| 306 | V | I | 2.0031 | |
| 307 | Q | I | 0.4053 | |
| 308 | I | I | 1.2806 | |
| 309 | V | I | 0.3716 | |
| 310 | Y | I | 0.1175 | |
| 311 | K | I | -1.5003 | |
| 312 | P | I | -0.8283 | |
| 313 | V | I | 0.3004 | |
| 314 | D | I | 0.2177 | |
| 315 | L | I | 1.1125 | |
| 316 | S | I | -0.4586 | |
| 317 | K | I | -1.5545 | |
| 318 | V | I | -1.4835 | |
| 319 | T | I | -1.3369 | |
| 320 | S | I | -1.5418 | |
| 321 | K | I | -2.2749 | |
| 322 | C | I | -1.3373 | |
| 323 | G | I | -1.1478 | |
| 324 | S | I | -0.8853 | |
| 325 | L | I | -0.5226 | |
| 326 | G | I | -1.2735 | |
| 327 | N | I | -1.6868 | |
| 328 | I | I | -0.7778 | |
| 329 | H | I | -0.8853 | |
| 330 | H | I | -0.4206 | |
| 331 | K | I | -0.7410 | |
| 332 | P | I | -0.5379 | |
| 333 | G | I | 0.0000 | |
| 334 | G | I | -0.6059 | |
| 335 | G | I | 0.0000 | |
| 336 | Q | I | -0.4013 | |
| 337 | V | I | -0.2749 | |
| 338 | E | I | -1.4019 | |
| 339 | V | I | -1.2751 | |
| 340 | K | I | -2.8998 | |
| 341 | S | I | -3.0695 | |
| 342 | E | I | -3.6923 | |
| 343 | K | I | -3.5673 | |
| 344 | L | I | -2.4764 | |
| 345 | D | I | -2.4801 | |
| 346 | F | I | -1.9014 | |
| 347 | K | I | -3.7732 | |
| 348 | D | I | -4.3277 | |
| 349 | R | I | -4.2560 | |
| 350 | V | I | -2.8004 | |
| 351 | Q | I | -2.3402 | |
| 352 | S | I | -1.1318 | |
| 353 | K | I | -1.3562 | |
| 354 | I | I | -0.1005 | |
| 355 | G | I | -0.4369 | |
| 356 | S | I | -0.4800 | |
| 357 | L | I | -0.0294 | |
| 358 | D | I | -1.4825 | |
| 359 | N | I | -1.0322 | |
| 360 | I | I | -0.1391 | |
| 361 | T | I | -0.2252 | |
| 362 | H | I | -0.7889 | |
| 363 | V | I | -0.1191 | |
| 364 | P | I | -0.5335 | |
| 365 | G | I | -0.8391 | |
| 366 | G | I | -1.0065 | |
| 367 | G | I | -1.3231 | |
| 368 | N | I | -2.5521 | |
| 369 | K | I | -2.9183 | |
| 370 | K | I | -2.1724 | |
| 371 | I | I | -0.7475 | |
| 372 | E | I | -1.0126 | |
| 373 | T | I | -0.9232 | |
| 374 | H | I | -1.4446 | |
| 375 | K | I | -2.0739 | |
| 376 | L | I | -0.0425 | |
| 377 | T | I | 0.9162 | |
| 378 | F | I | 2.4757 | |
| 306 | V | J | 2.0672 | |
| 307 | Q | J | 0.4101 | |
| 308 | I | J | 1.2071 | |
| 309 | V | J | 0.0294 | |
| 310 | Y | J | -0.0595 | |
| 311 | K | J | -1.4948 | |
| 312 | P | J | -0.6275 | |
| 313 | V | J | 0.9943 | |
| 314 | D | J | 0.6336 | |
| 315 | L | J | 1.1557 | |
| 316 | S | J | -0.4356 | |
| 317 | K | J | -1.4736 | |
| 318 | V | J | -1.3900 | |
| 319 | T | J | -1.2573 | |
| 320 | S | J | -1.4664 | |
| 321 | K | J | -2.1350 | |
| 322 | C | J | -1.2588 | |
| 323 | G | J | -1.1080 | |
| 324 | S | J | -0.8696 | |
| 325 | L | J | -0.5035 | |
| 326 | G | J | -1.2372 | |
| 327 | N | J | -1.6409 | |
| 328 | I | J | -0.7461 | |
| 329 | H | J | -1.0363 | |
| 330 | H | J | -0.7343 | |
| 331 | K | J | -1.2792 | |
| 332 | P | J | -0.8986 | |
| 333 | G | J | -0.6787 | |
| 334 | G | J | -0.8723 | |
| 335 | G | J | -0.3779 | |
| 336 | Q | J | -0.5100 | |
| 337 | V | J | -0.1890 | |
| 338 | E | J | -0.9215 | |
| 339 | V | J | -0.8265 | |
| 340 | K | J | -2.3154 | |
| 341 | S | J | -2.9193 | |
| 342 | E | J | -3.7164 | |
| 343 | K | J | -3.6362 | |
| 344 | L | J | -2.4618 | |
| 345 | D | J | -2.3945 | |
| 346 | F | J | -1.7240 | |
| 347 | K | J | -3.5638 | |
| 348 | D | J | -4.0563 | |
| 349 | R | J | -4.1324 | |
| 350 | V | J | -2.7641 | |
| 351 | Q | J | -2.4817 | |
| 352 | S | J | -1.2574 | |
| 353 | K | J | -1.5081 | |
| 354 | I | J | -0.0101 | |
| 355 | G | J | -0.2925 | |
| 356 | S | J | -0.4077 | |
| 357 | L | J | -0.0089 | |
| 358 | D | J | -1.4406 | |
| 359 | N | J | -1.0776 | |
| 360 | I | J | -0.1114 | |
| 361 | T | J | -0.2379 | |
| 362 | H | J | -0.8092 | |
| 363 | V | J | -0.1364 | |
| 364 | P | J | -0.5454 | |
| 365 | G | J | -0.8228 | |
| 366 | G | J | -0.9855 | |
| 367 | G | J | -1.2934 | |
| 368 | N | J | -2.4982 | |
| 369 | K | J | -2.8935 | |
| 370 | K | J | -2.0932 | |
| 371 | I | J | -0.6193 | |
| 372 | E | J | -0.5627 | |
| 373 | T | J | -0.7649 | |
| 374 | H | J | -1.4887 | |
| 375 | K | J | -2.0980 | |
| 376 | L | J | -0.1116 | |
| 377 | T | J | 0.8997 | |
| 378 | F | J | 2.4652 |
Calculations for various pH values
This page contains details and comparisons for all models calculated at different pH points.
Please find suggestions on interpreting the results below. More details can be found in the Tutorial.
The input structure is partially or entirely disordered. Average score is recommended for pH analysis.
pH |
Average A4D Score |
Max A4D Score |
|||
| 4.0 | -1.0163 | 5.3472 | View | CSV | PDB |
| 4.5 | -1.053 | 5.3472 | View | CSV | PDB |
| 5.0 | -1.0934 | 5.3472 | View | CSV | PDB |
| 5.5 | -1.1197 | 5.3472 | View | CSV | PDB |
| 6.0 | -1.1131 | 5.3472 | View | CSV | PDB |
| 6.5 | -1.0664 | 5.3472 | View | CSV | PDB |
| 7.0 | -0.988 | 5.3472 | View | CSV | PDB |
| 7.5 | -0.892 | 5.3472 | View | CSV | PDB |
| 8.0 | -0.788 | 5.3472 | View | CSV | PDB |
| 8.5 | -0.6789 | 5.3472 | View | CSV | PDB |
| 9.0 | -0.5654 | 5.3472 | 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