Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MRLDFSKKTMQDFERDAEVVHATRERSFWRFMLADRRAVFATSVLILITVACIFAFLSPYDPNALSVQDKLMPPNSSHWFGTDDHGRDYLTRVLYGGRVSLLVGVFAMMIAVVVGTLAGTVSGYFG-------GFIDNIVMRFLDIFMSIPSFFLLMILNAYLK------PGISNIIIIIGLLSWMEVARIVRAETLTLKEREFILYSKSSGGGFFHIMFKHIIPNAMPSIVVAASLNVATAILTESALSFLGLGVQQPNASWGSMLNNAQGYVGEATYLALFPGLLILMTILSFNVLGDVLRKGLSRRY
3TUI Chain:A ((2-216))
-------------------------------------------------------------------------------------SEPMMWLLVRGVWETLAMTFVSGFFGFVIGLPVGVLLYVTRPGQIIANAKLYRTVSAIVNIFRSIPFIILLVWMIPFTRVIVGTSIGLQAAIVPLTVGAAPFIARMVE-NALLEIPTGLIEASRAMGATPMQIVRKVLLPEALPGLVNAATITLITLVGYSAMGGAVG------AGGLGQIGYQYGYIGY-NATVMNTVLVLLVILVYLIQFAGDRIVRAVTR--
General information:
TITO was launched using:
RESULT:
Template:
3TUI.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -161234 for 1568 contacts (-102.8/contact) +
2D Compatibility (PS) -21274 + (NN) -10973 + (LL) 7372
1D Compatibility (HY) -14400 + (ID) 1850
Total energy: -202359.0 ( -129.06 by residue)
QMean score : 0.328
(partial model without unconserved sides chains):
PDB file :
Tito_3TUI.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3TUI-query.scw
PDB file :
Tito_Scwrl_3TUI.pdb
: