Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MQQQSNMQNKFLIDAEIGDDDVTLPNLPAIDVPIVESPVKQEVKAEEVVEAAPSTEPEQPKSGFFGRMKEGLSKTRRNFTDGMVNILIGGKEIDDELLEEVEGQLLVADIGVDATKTIITNLTERTARGDLIYSHSLYKALQEELVALLAPRVKPLHIDPNKSPYVILMVGVNGVGKTTTIGKLAKRLQGEGKKVMLAAGDTFRAAATEQLQIWGERNDIAVVAQGHGADSASVIFDASESARAKGIDVLIADTAGRLHNKSNLMEELKKVKRVMQKIDATAPHEIMLVVDAGTGQNAINQVQEFDQAVGLTGITITKLDGTAKGGVLFNIASRTHVPIRFIGVGEKIDDLRPFSAKSFVAALFETEK 3ZN8 Chain:D ((3-293)) -----------------------------------------------------------------------LLKTKENLGSGFIS-LFRGKKIDDDLFEELEEQLLIADVGVETTRKIITNLTEGASRKQLRDAEALYGLLKEEMGEILAKVDEPLNVE-GKAPFVILMVGVNGVGKTTTIGKLARQFEQQGKSVMLAAGDTFRAAAVEQLQVWGQRNNIPVIAQHTGADSASVIFDAIQAAKARNIDVLIADTAGRLQNKSHLMEELKKIVRVMKKLDVEAPHEVMLTIDASTGQNAVSQAKLFHEAVGLTGITLTKLDGTAKGGVIFSVADQFGIPIRYIGVGERIEDLRPFKADDFIEALF----

General information: TITO was launched using: RESULT: Template: 3ZN8.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain D - contact count / total energy / energy per contact / energy per residue : 1563 -212105 -135.70 -728.88 target 2D structure prediction score : 0.63 Monomeric hydrophicity matching model chain D : 0.85 3D Compatibility (PKB) : -135.70 2D Compatibility (Sec. Struct. Predict.) : 0.63 1D Compatibility (Hydrophobicity) : 0.85 QMean score : 0.600

(partial model without unconserved sides chains): PDB file : Tito_3ZN8.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3ZN8-query.scw PDB file : Tito_Scwrl_3ZN8.pdb: