Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MRKAGAADSAPTPKPQDGPARAWVARLVQRRFGE--RPRGLQALGGGLNNHVYQLQAGGQPLVVRLHQDPGKLAVYRKEAWAMGQARK-AGVPTPQVLEVGEEGGHPYMLQRLVEGIPGTQWADGNAVLRQMGELAARLHQVATQ-GFGPAVGG--SAVP-GQRSWPHWADFLDHE-LRVGERLGMLDRVNALPTPARQALTATL-AQMRRWSRRPVLQHGDLRLKNVIVSPRDGRIVALIDWEDCLSAPPPHWELAIALHDLGPDGKEVFLEGYGLSAARFARIAPQLRALNVLNYAWAIHLALQDG--QRRRAEWMKARLRGVFDVAL 3JR1 Chain:A ((17-309)) ----------------FQGMWKSISQVLAEQFGAYYFIKHKEKLYSGEMNEIWLINDEVQTVFVKINERS-YRSMFRAEADQLALLAKTNSINVPLVYGIGNSQGHSFLLLEALNKSKN-----KQSSFTIFAEKIAQLHQIQGPDKYGLDFDTWLGPIYQPNDWQTSWAKFFSENRIGW---QLQICKEKGLIFGNIDLIVQIVADTLSKHNPKPSILHGNLWIENCIQV-D-DKIF-VCNP-ACYWG-DRECDIAFSS-LFE-PFPTNFYQRYNEIYPL---EEGYLERKLIYQLYYLLNFSYRYYNKKQSYVSLTQKLINQILHK--

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 : 1396 -30677 -21.97 -108.78 target 2D structure prediction score : 0.55 Monomeric hydrophicity matching model chain A : 0.70 3D Compatibility (PKB) : -21.97 2D Compatibility (Sec. Struct. Predict.) : 0.55 1D Compatibility (Hydrophobicity) : 0.70 QMean score : 0.419

(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: