Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSLTDQSTRIRA-GEELDAAVIDPYLKAHIPGLEGTPKISQFPGGAS-NLTYLIEYPRQEFVLRRPPFGHKAKSAHD-MGREYRILNQLNA-GFPYCPKAYLYCTDESVIGAEFYVMERVKGIILRAELPPELNLDEQQTRSLCKSFIDKFVELHNVDYAA-------CGLADLGRPDG--------YVQRQIAGWTDRYEKA---LTPDAPLWEPVKAWLKDKQPADHHKPGIVHNDYRFDNVILDPENPMQIIGVLDWELATLGDPLMDLGNTLAYWVEAGDPAPVQLTRRQPSHLPGMLTRREFADYYAERAGIPPIDNLDFYYTYGLFRLAGIVQQIYYRYYHGQTQDKRF-AQFVQMNKLLEQMSLQAIERSRL 3JR1 Chain:A ((14-309)) ------NLYFQGMWKSISQVLAEQF------GAYYFIKHKEKLYSGEMNEIWLINDEVQTVFVKINE-----RSYRSMFRAEADQLALLAKTNSINVPLVYGIGNSQ---GHSFLLLEALN--------------KSKNKQSSFTIFAEKIAQLHQIQGPDKYGLDFDTWLGPIYQPNDWQTSWAKFFSENRIGWQLQICKEKGLIFGNIDLIVQIVADTLSKHNP----KPSILHGNLWIENCIQVDDKIFVC------------NPACYWGDRECDIAFSSLFEPFP---------------TNFYQRYNEIYPLEE-----------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 : 1352 4389 3.25 16.08 target 2D structure prediction score : 0.57 Monomeric hydrophicity matching model chain A : 0.62 3D Compatibility (PKB) : 3.25 2D Compatibility (Sec. Struct. Predict.) : 0.57 1D Compatibility (Hydrophobicity) : 0.62 QMean score : 0.377

(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: