Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence -----MAELNKTKVRKELRTERPSIYSFELDEIKQWLTDNGEKPFRAAQIFEWLYEKRVSSFEDMTNLSKDLREKLNTRFVLTTLKTAVKQTSQDGTMKFL-FELHDGYTIETVLMRHEYGNSVCVTTQVGCRIGCTFCASTLGGLKRNL------EAGEIVAQVVKVQKAL------------DETDERVSSVVIMGIGEPFDNFNEMLAFLKIINHDKGLNIGARHITVSTSGIIPKIYEFADQQMQI-NFAISLHAPNTEIRSRLMPINRAYKLPDLMEAVKYYINKTGRRISFEYGLFGGVNDQVEHAEELADLLEGVKCHVNLIPVNYVPERDYVRTPRDQIFAFEKTLKSRGVNVTIRREQGHDIDAACGQLRAKERQDETR------ 2YX0 Chain:A ((11-342)) KITVQANPNMPKEVAELFRKQHYEIVG----------------RHSGVKLCHW-------------------------------LKKSLTEGRFCYKQKFYGIHSHRCLQMTPVLAW--------------CTHNCIFCWRPMENFLGTELPQPWDDPAFIVEESIKAQRKLLIGYKPKVDKKKFEEAWNPTHAAISLSGEPML-YPYMGDLVEEFHKR-----GFTTFIVTNGTIPERLEEMIKEDKLPTQLYVSITAPDIETYNSVNIPMIPDGWERILRFLELM-RDLPTRTVVRLTLVKGENMH--SPEKYAKLILKARPMFVEAKAYMNRLTINNMPSHQDIREFAEALVKHLPGYHIEDEYEPSRVVLIMRDDVDPQGTGVEGRFIKH

General information: TITO was launched using: RESULT: Template: 2YX0.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 : 1628 -158061 -97.09 -539.46 target 2D structure prediction score : 0.61 Monomeric hydrophicity matching model chain A : 0.65 3D Compatibility (PKB) : -97.09 2D Compatibility (Sec. Struct. Predict.) : 0.61 1D Compatibility (Hydrophobicity) : 0.65 QMean score : 0.350

(partial model without unconserved sides chains): PDB file : Tito_2YX0.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2YX0-query.scw PDB file : Tito_Scwrl_2YX0.pdb: