Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MVFMGFNCGIVGLPNVGKSTLFNALTKAAIAAENFPFCTIEPNTGIVP-VPDPRLDKLAAIVNPQRVLPTTMEFVDIAGLVAGASKGEGLGNQFLANIR-ETDAIAHVVRCFEDENVIHVNGKIDPLDDIATINTELALADLETVAKAILRLTKVAKGGD---KEAVATK-----AVLEKIQPL-LDEGKPARAADLSDDERKLIRGFGLMTLKP-TMYIANVAEDGFENNPHLEAVKKLAAEENAIVVPLCNQIEAEISLLEDEDRAEFLEAM-GMEEPGLN---------VVIRAGYKLLGLQTYFTAGVQE----VRAWTL-KVGATAPQAAGVIHTDFEKGFIRAEVVAYDDFVQYNGENGAKEAGKWRLEGKTYVVQDGDVMHFRFNV 1WXQ Chain:A ((2-395)) ------EIGVVGKPNVGKSTFFSAAT--------------LANVGVTYAITDHPCKELGCSPNPQ-----NYEYRNGLALIPVKM----VDVAFLDDLRMASALIHVVDATGKTDPEGQPTDYHDPVEDIEFLEREIDYWIYGILSKGWDKFAKRIKLQKIKLESAIAEHLSGIGVNENDVWEAMHKLNLPEDPTKWSQDDLLAFASEIRRVNKPMVIAANKADAA---SDEQIKRLVREEEKRGYIVIPTSAAAELTLRKAAKAGFIEYIPALMVIKEKVLDRFGSTGVQEVINRVVFDLLKLIPVYPVHDEQFGNVLPHVFLMKKGSTPRDLAFKVHTDLGKGFLYAIN-----------------ARTKRRVGEDYELQFNDIVKIVSV-

General information: TITO was launched using: RESULT: Template: 1WXQ.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 : 1532 36647 23.92 115.97 target 2D structure prediction score : 0.47 Monomeric hydrophicity matching model chain A : 0.65 3D Compatibility (PKB) : 23.92 2D Compatibility (Sec. Struct. Predict.) : 0.47 1D Compatibility (Hydrophobicity) : 0.65 QMean score : 0.356

(partial model without unconserved sides chains): PDB file : Tito_1WXQ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1WXQ-query.scw PDB file : Tito_Scwrl_1WXQ.pdb: