Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MIRGILIAVLGIAIVGTGYWGYKEHQEKDAVLLHAENNYQRAFHELTYQVDQLHDKIGTTLAMNSQKSLSPALIDVWRITSEAHNSVSQLPLTLMPFNKTEELLSKIGDFSYKTSVRDLDQKPLDKNEYTSLNKLYQQSEDIQNELRHVQHLVMSKNLRWMDVEMALASDEKQSDNTIINSFKTVEKNVGAFSTGTDLGPSFTSTKKEEKGFSHLKGKQISEQEAKQIAERFAPDDNYSIKVVKSGKKTNRDVYSISMKDPDHKAVIYMDITKKGGHPVYLIQNREVKDQKISLNDGSNRALAFLKKNGFETDDLEIDESAQYDKIGVFSYVPVENKVRMYPEAIRMKVALDDGEVVGFSARDFLTSHRK--RTIPKPAITEAEAKSKLNKNVQVRETRLALITNELGQEVLCYEMLGTIENDTFRMYINAKDGSEEKVEKLKNAEPIYKDL 4USR Chain:A ((1-357)) --GPAMPPILDVIVIGGG----------QAALTTAYFLRRTSL---------------SYLLLDEQPGPGGAWLHAWD--------------SLRLFSPAAW--SSIAGWPMPSPT---EPGNPTRNDVIDYLRRYEDRYQFP-----IQRPVRVDTVTRLDDLWRVQAGDQQWLARAVIS-----------ATGTWSKPFIPPYEGREL----FQGAQIHSAHYRTP----APFAGKRVMVVGGGNSGAQVLAELS------SVSETLWITQEP--PAFLPDEV---DGRVLFERATARWKAQQEGRSIDEPAGGFGDIVMVPPVREARERGVLVAERPFARFTETGVEWADGRRENLDAVIWCSGFRPALDHLRELGVVEADGKVQVEDTRVVKQPNLWLVG---------YGDWTGMASATLIGVTRTARSTADQVVQALTATP-----

General information: TITO was launched using: RESULT: Template: 4USR.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 : 1989 -40786 -20.51 -114.89 target 2D structure prediction score : 0.45 Monomeric hydrophicity matching model chain A : 0.68 3D Compatibility (PKB) : -20.51 2D Compatibility (Sec. Struct. Predict.) : 0.45 1D Compatibility (Hydrophobicity) : 0.68 QMean score : 0.191

(partial model without unconserved sides chains): PDB file : Tito_4USR.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4USR-query.scw PDB file : Tito_Scwrl_4USR.pdb: