Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MPRPGGPGRCSIRQRSVACT-GAGAQRDVSAARSPVPNPATSAVIPAIL-ADVEEVAVVVAHHDCATLRVGDVFLKVDADQTRTDVEVEAMARAPIPTPRVLWRKPPVLALAALPGTALGRLG--EPSTASSAAWVAAGAAVRKLHDAPLPPWPGRSRDEITSHLDHECEW------LITTGVLPSELVTRNR--------QVAEAALRPW------TPVFTHGDLQTSHVFVDGDEATGVIDWSEAAQGDALFDLATLTLGHQEHLGDVVAGYGADVDLDVIRAWWSLRSLRAVRWLIEHGFDPSAPGCEIDVLRSQL------ 3JR1 Chain:A ((14-309)) --------------NLYFQGMWKSISQVLAEQFGAYYFIKHKEKLYSGEMNEIWLIND----------EVQTVFVKINERSYRSMFRAEADQLALLAKTNSI-NVPLVYGIGNSQGHSFLLLEALNKSKNKQSSFTIFAEKIAQLHQIQGPDKYGLDFDTWLGPIYQPNDWQTSWAKFFSENRIGWQLQICKEKGLIFGNIDLIVQIVADTLSKHNPKPSILHGNLWIENCIQVDD--KIFVCNPACYWGDRECDIAFSSL-FEPFPTNFYQRYNEIYPLEE-GYLERKLIYQLYYLLNFSYRYYNKKQSYVSLTQKLINQILHK

General information: TITO was launched using: RESULT: Template: 3JR1.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 : 1284 -8679 -6.76 -32.63 target 2D structure prediction score : 0.53 Monomeric hydrophicity matching model chain A : 0.62 3D Compatibility (PKB) : -6.76 2D Compatibility (Sec. Struct. Predict.) : 0.53 1D Compatibility (Hydrophobicity) : 0.62 QMean score : 0.257

(partial model without unconserved sides chains): PDB file : Tito_3JR1.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3jr1-query.scw PDB file : Tito_Scwrl_3JR1.pdb: