Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MVKIFIDPGHGGSDPGATG--NG-LQEKTLTLQIALALRTILTNEYEGVSL--LLSRTSDQ---YVSLNDRTNAANNWGADFFLSIHVNSG--GGTGFESYIYPDVGAPTTTYQSTIHSEVIQAVDFADRGKKT-ANFHVLRESAMPALLTENGFIDTVSDANKLKTSSFIQSLARGHANGLEQAFNLKKTSSSGLYKVQIGAFKVKANADSLASNAEAKGFDSIVLLKDGLYKVQIGAFSSKDNADTLAARAKNAGFDAIVILES 3QAY Chain:A ((2-179)) -MKICITVGHSILKSGACTSADGVVNEYQYNKSLAPVLADTFRK-E-GHKVDVIICPEKQFKTKNEEKSYKIPRVNSGGYDLLIELHLNASNGQGKGSEVLYYSNK---GLEYATRICDKLGT--VFKNRGAKLDKRLYILNSSKPTAVLIESFFCDNKEDYDKAKK-LGHEGIAKLIVEGVLNKNI-------------------------------------------------------------------------------

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 : 899 -75791 -84.31 -453.84 target 2D structure prediction score : 0.54 Monomeric hydrophicity matching model chain A : 0.64 3D Compatibility (PKB) : -84.31 2D Compatibility (Sec. Struct. Predict.) : 0.54 1D Compatibility (Hydrophobicity) : 0.64 QMean score : 0.364

(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: