Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLYNLNVYIRG-DNMSSIPFSRISRFWGLKRKIVLEKKTN-ARAFIVRSGSIFYVLKRRVASLPS-RSCQTELLKYLVQSGLPVSAPIPSGSGEFEVKIGKYVYSLFPYIEGEKADSNISNATPEMAEELGIFTGRLHRVLKEAEGSF-FERTNLLKSLTSAIRYFNSTGSFFSRSDMEMIEEFFTD-------FYKLYYKLPVQ---------IIHGDYHPGNIIVHEGKVSGIIDFDCATREV-KALDLAYLIHSVFAEFSRMGSPSLFLYLLPHLLEGYCLENTLSFDERESLGYLLAAISIIQIHYFSANGLSDEANFASTVFRWIYLNNHRIKEKSGLVLTRSKKAV 3JR1 Chain:A ((14-309)) -----NLYFQGMWKSISQVLAEQFGAYYFIKHKEKLYSGEMNEIWLINDEVQTVFVKINERSYRSMFRAEADQLALLAKTN-SINVPLVYGIGNSQ----GHSFLLLEALN-------KSKNKQSSFTIFAEKIAQLHQ--IQGPDKYGLDFDTWLGPIYQPNDWQTSWAKFFSENRIGWQLQICKEKGLIFGNIDLIVQIVADTLSKHNPKPSILHGNLWIENCIQVDD---KIFVCNPACYWGDRECDIAFS--------------SLFEPFPTNFYQRYNEIYPLEEGYLERKLIYQLYYLLNFSYRYYNKKQSYVSLTQKLINQILHK--------------------

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 : 1363 -39818 -29.21 -144.79 target 2D structure prediction score : 0.53 Monomeric hydrophicity matching model chain A : 0.61 3D Compatibility (PKB) : -29.21 2D Compatibility (Sec. Struct. Predict.) : 0.53 1D Compatibility (Hydrophobicity) : 0.61 QMean score : 0.270

(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: