Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSVYTEL-SEQDVMHLLADYDLGVYVRHQGISAGVE-NTNYFVSTDQHELVLTVFEKHSAD-ELPFFLQLGEHLHARHCKVPQPFRDRDGQFLQIVKGKPAVFIERLTGQHVQASPACALKIAQALADIHNATLSFQ-----------TDQRHSHNRGWIERQAS-RVLPSLSAPDQQ--LMNAALAIIRAIPDDLPE-----GVIHADLFHDNALFDGNEVAGIIDWYFAGRDSYALDIAITMNDWCLDTQHQVDPEQCAAFIERYHQRRSLSSAERNALPKLQVQSALRFWISRLLAQAEHGESNDSITVKDPIPMREQCRQLLTRVREPGNEHR 3JR1 Chain:A ((14-309)) -NLYFQGMWKSISQVLAEQFGAYYFIKHKEKLYSGEMNEIWLINDEVQTVFVKINERSYRSMFRAEADQLALLAKTNSINVPLVYG------IGNSQGHSFLLLEALNKS--KNKQSSFTIFAEKIAQLHQIQGPDKYGLDFDTWLGPIYQPNDWQTSWAKFFSENRIGWQLQICKEKGLIFGNIDLIVQIVADTLSKHNPKPSILHGNLWIENCIQVDDKIFVCNPACYWG--DRECDIAFSSLFEPFP----------TNFYQRYNEIYPLEE---GYLERKLIYQLYYLLNFSYRYYNKKQ------------SYVSLTQKLINQILHK-----

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 : 1360 -15966 -11.74 -58.27 target 2D structure prediction score : 0.61 Monomeric hydrophicity matching model chain A : 0.67 3D Compatibility (PKB) : -11.74 2D Compatibility (Sec. Struct. Predict.) : 0.61 1D Compatibility (Hydrophobicity) : 0.67 QMean score : 0.365

(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: