Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MRPLLFSALLLLSGHTQASEWNDSQAVDKLFGAAGVKGTFVLYDVQRQRYVGHDRERAETRFVPASTYKVANSLIGLSTGAVRSADEVLPYGGKPQRFKAWEHDMSLRDAIKASNVPVYQELARRIGLERMRANVSRLGYGNAEIGQVVDNFWLVGPLKISAMEQTRFLLRLAQGELPFPAPVQSTVRAMTLLESGPGWELHGKTGWCFDCTPELGWWVGWVKRNE-RLYGFALNIDMPGGEADIGKRVELGKASLKALGILP
4JF4 Chain:B ((7-243))
-----------------------NQVIHQYFDEKNTSGVLVIQTDKKINLYGNALSRANTEYVPASTFKMLNALIGLENQKT-DINEIFKWKGEKRSFTAWEKDMTLGEAMKLSAVPVYQELARRIGLDLMQKEVKRIGFGNAEIGQQVDNFWLVGPLKVTPIQEVEFVSQLAHTQLPFSEKVQANVKNMLLLEESNGYKIFGKTGWAMDIKPQVGWLTGWVEQPDGKIVAFALNMEMR-SEMPASIRNELLMKSLKQLNII-
General information:
TITO was launched using:
RESULT:
Template:
4JF4.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -131368 for 1974 contacts (-66.5/contact) +
2D Compatibility (PS) -25593 + (NN) -12173 + (LL) 1496
1D Compatibility (HY) -25200 + (ID) 5300
Total energy: -198138.0 ( -100.37 by residue)
QMean score : 0.536
(partial model without unconserved sides chains):
PDB file :
Tito_4JF4.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4JF4-query.scw
PDB file :
Tito_Scwrl_4JF4.pdb
: