Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MVKIFIDPGHGGSDPGATGNG---LQEKTLTLQIALALRTILTNEYEGVSLLLSRTSDQYVSLND----RTNAANNWGADFFLSIHVNS--GGGTGFESYIYPDVGAPTTTYQSTIHSEVIQAVDFADRGKKT-ANFHVLRESAMPALLTENGFIDTVSDANKLKTSSFIQSLARGHANGLEQAFNLKKTSSSGLYKVQIGAFKVKANADSLASNAEAKGFDSIVLLKDGLYKVQIGAFSSKDNADTLAARAKNAGFDAIVILES 3QAY Chain:A ((2-159)) -MKICITVGHSILKSGACTSADGVVNEYQYNKSLAPVLADTFRKEGHKVDVIIC-PEKQFKTKNEEKSYKIPRVNSGGYDLLIELHLNASNGQGKGSEVLYYSNKG---LEYATRICDKL--GTVFKNRGAKLDKRLYILNSSKPTAVLIESFFCDNKEDYDKAK----------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3QAY.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 : 735 -50425 -68.61 -340.71 target 2D structure prediction score : 0.55 Monomeric hydrophicity matching model chain A : 0.66 3D Compatibility (PKB) : -68.61 2D Compatibility (Sec. Struct. Predict.) : 0.55 1D Compatibility (Hydrophobicity) : 0.66 QMean score : 0.292

(partial model without unconserved sides chains): PDB file : Tito_3QAY.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3QAY-query.scw PDB file : Tito_Scwrl_3QAY.pdb: