Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSRILDNEIMGDEELVERTLRPQYLREYIGQDKVKDQLQIFIEAAKMRDEALDHVLLFGPPGLGKTTMAFVIANEL-----GVNLKQTSGPVIEKAGDLVAILNELE--------PGDVLFIDEIHRLPMSVEEVLYSAMEDFYIDIMIGAGEGSRSVHLELPPFTLIGATTRAGMLSNPLRARFGITGHMEYYAHADLTEIVERTADIFEMEITHEAASELALRSRGTPRIANRLLKRVRDFAQIMGNGVIDDII----TDKALTMLDVDHEG-LDYVDQKILRTMIEMYSGGPVGLGTLSVNIAE---ERETVEDMYEPYLIQKGFIMRTRSGRVATAKAYEHLGYEYSEK 1IQP Chain:A ((2-327)) -SEEIREVKVLEKPWVEK-YRPQRLDDIVGQEHIVKRLKHYVKTGS-----MPHLLFAGPPGVGKTTAALALARELFGENWRHNFLELNASDERGINVIREKVKEFARTKPIGGASFKIIFLDEADALTQDAQQALRRTMEMFS------------------SNVRFILSCNYSSKIIEPIQSR-CAIFRFRPLRDEDIAKRLRYIAENEGLELTEEGLQAILYIAEGDMRRAINILQAAAALDKKITDENVFMVASRARPEDIREMMLLALKGNFLKAREKLREILLKQGLSGEDVLVQMHKEVFNLPIEEPKKVLLADKIGEYNFRLVEGANEIIQLEALLAQFTLIGKK-

General information: TITO was launched using: RESULT: Template: 1IQP.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 : 1316 -10353 -7.87 -33.94 target 2D structure prediction score : 0.55 Monomeric hydrophicity matching model chain A : 0.69 3D Compatibility (PKB) : -7.87 2D Compatibility (Sec. Struct. Predict.) : 0.55 1D Compatibility (Hydrophobicity) : 0.69 QMean score : 0.342

(partial model without unconserved sides chains): PDB file : Tito_1IQP.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1IQP-query.scw PDB file : Tito_Scwrl_1IQP.pdb: