Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MIDLYLSKNRQRNQLLLDFFQNYGIEVSCHSVS--EMTKDKLIEMMSYSSD-CFEFLSPNLLRFKNRD------NLRLTDFVEIILKNPELTIRLPLAVSNKRVYPSLNLEEARALLPRDTKQLIYMAQTHYLSN 3GKX Chain:B ((3-116)) -TLFLQYPACSTCQKAKKWLIENNIEYTNRLIVDDNPTVEELKAWIPLSGLPVKKFFNTSGVVYKELKLSSKLPTMTEEEQIALLATNGKL-VKRPLVVTERFVLVGFKPEEWEKL-------------------

General information: TITO was launched using: RESULT: Template: 3GKX.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 417 -20893 -50.10 -198.98 target 2D structure prediction score : 0.61 Monomeric hydrophicity matching model chain B : 0.66 3D Compatibility (PKB) : -50.10 2D Compatibility (Sec. Struct. Predict.) : 0.61 1D Compatibility (Hydrophobicity) : 0.66 QMean score : 0.634

(partial model without unconserved sides chains): PDB file : Tito_3GKX.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3GKX-query.scw PDB file : Tito_Scwrl_3GKX.pdb: