Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNEELKDRIEDKYGS--LRSLDSDSVGMAH-DIFFLEFQDGKEMVLKVGGEDLGFRFEREPYVLDWLAD-ANLSVPEVVEFEINRGEEELSYLLMDKIEGQNINSYSEGRKFKFLSERAKEKLVNESAKQLNSIHNSTSY-PNFGAFRAKM--E---KQYESNRWSETLLQI-LRKNELGGIEKGE-FSHLHSKAESFLKENLSQLNTDSRPVMVHQDFSFKNMIVQGGEIRAVIDWERAISGHRELDLFKFERSISSKFRTKSIGEKYGELLIQKYQSEHSLESGWEERRNIYMLISLLQTMWTYDDWSKNIPQKIRKKIKENMEKEFENRVSKRQTDIFQHME 3JR1 Chain:A ((22-288)) --KSISQVLAEQFGAYYFIKHKEKLYSGEMNEIWLINDEVQTVFVKINERS-YRSMFRAEADQLALLAKTNSINVPLVYGIGNSQ---GHSFLLLEALNKSKNK----------------QSSFTIFAEKIAQLHQI-QGPDKYGLDFDTWLGPIYQPNDWQTSWAKFFSENRIGWQL-QICKEKGLIFGNIDLIVQIVADTLS--KHNPKPSILHGNLWIENCIQVDDKIF-VCNP-ACYWGDRECDIAFSSLFE-----------PFPTNFYQRYNEIYPLEEGYLERKLIYQLYYLLNFSYRY---------------------------------------

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 : 1209 67937 56.19 266.42 target 2D structure prediction score : 0.58 Monomeric hydrophicity matching model chain A : 0.66 3D Compatibility (PKB) : 56.19 2D Compatibility (Sec. Struct. Predict.) : 0.58 1D Compatibility (Hydrophobicity) : 0.66 QMean score : 0.280

(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: