Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence -MPTE--------RKEDLHQQLKEIEKWEKDQQKVWFWEKLSR-----------------------------------------------------LPFQLLDKLTPEFIQ--KKIGKL-------------------LDEVGSFVQTGGQYLT-------SEKQIIRMFQ-----KKLPEEIFESLEDIRKAPLPVMDEIAEGMGKNRTNAATVQGAT----------TGVGGVFTLAADIPAVL------GLSLKTL-QDIAVAYGYDPKEKKERVFIVKCLQLTSADVVGKRSILQELKHYDQDRTYKNVASQIQGWREVVLGYRDTFGW--KKLFQ--------IVPVAGMVFGAAANR----------STLNDITETGMMLYKKRRILER---LKETEREME-- 4NM6 Chain:A ((7-451)) SCRCEGPFYTHLGAGPNVAAIREIMEERFGQKGKAIRIERVIYTGKEGKSSQGCPIAKWVVRRSSSEEKLLCLVRERAGHTCEAAVIVILILVWEGIPLSLADKLYSELTETLRKYGTLTNRRCALNEERTCACQGLDPETCGASFSFGCSWSMYYNGCKFARSKIPRKFKLLGDDPKEEEKLESHLQNLSTLMAPTYKKLAPDAYNNQIEYEHRAPECRLGLKEGRPFSGVTACLDFCAHAHRDLHNMQNGSTLVCTLTREDNREFGGKPED--EQLHVLPLYKVSDVDEFGSVEAQEEKKRSGAIQVLSSFRRKVRMLAEPVKTGSDEVWSDSEQSFLDPDIGGVAVAPTHGSILIECAKRELHATTPLKNPNRNHPTRISLVFYQHKSMNEPKHGLALWEAKMAEK

General information: TITO was launched using: RESULT: Template: 4NM6.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain A - contact count / total energy / energy per contact / energy per residue : 924 -53450 -57.85 -197.96 target 2D structure prediction score : 0.35 Monomeric hydrophicity matching model chain A : 0.67 3D Compatibility (PKB) : -57.85 2D Compatibility (Sec. Struct. Predict.) : 0.35 1D Compatibility (Hydrophobicity) : 0.67 QMean score : 0.245

(partial model without unconserved sides chains): PDB file : Tito_4NM6.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4NM6-query.scw PDB file : Tito_Scwrl_4NM6.pdb: