Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MRPLLFSALLLLSGHTQASEWNDSQAVDKLFGAAGVKGTFVLYDVQRQRYV--GHDRERAETRFVPASTYKVANSLIGLSTGAVRSADEVLPYGGKPQRFKAWEHDMSLRDAIKASNVPVYQELARRIGLERMRANVSRLGYGNAEIGQVVDNFWLVGPLKISAMEQTRFLLRLAQGELPFPAPVQSTVRAMTLLESGPGWELHGKTGWCFDCTPELGWWVGWVKRNERLYGFALNIDMPGGEADIGKRVELGKASLKALGILP
3IF6 Chain:B ((33-264))
----------------------------KFFSDLQAEGAIVIADERQAKHTLSVFDQERAAKRYSPASTFKIPHTLFALDADAVRDEFQVFRWDGVNRSFAGHNQDQDLRSAMRNSTVWVYELFAKDIGEDKARRYLKQIDYGNVDPSTIKGDYWIDGNLKISAHEQILFLRKLYRNQLPFKVEHQRLVKDLMITEAGRSWILRAKTGW----EGRFGWWVGWIEWPTGPVFFALNIDTPNRTDDLFKREAIARAILRSIDALP
General information:
TITO was launched using:
RESULT:
Template:
3IF6.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -112676 for 1853 contacts (-60.8/contact) +
2D Compatibility (PS) -24875 + (NN) -11650 + (LL) 2228
1D Compatibility (HY) -14800 + (ID) 4150
Total energy: -165923.0 ( -89.54 by residue)
QMean score : 0.563
(partial model without unconserved sides chains):
PDB file :
Tito_3IF6.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3IF6-query.scw
PDB file :
Tito_Scwrl_3IF6.pdb
: