Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence ----------MFKDIENRFGAKIQDIKVLKSGWAGE-IISLEFKDNTQKYVIKTYNSSKNG-LENIKQEWTGLNLLYNAN-YPVPRPIISDFVNEKPYIVMEKIEGENLWTCYQTLSKEDRQQLLEKFVKVFLKLHELDV---------SIIDKELRKDS-----TSSFIEKEINEIKKLVEEN------KLEYFTQIIDWLQKEKANIIGEKLSIIHRDYHPWNVIVDNNKAIYVIDLLWGIGDYRFDLAWMYTLMERSGFEDFSQNALKKYKELKNQNINNFEYFKVFSTLRWLINVMISLKTGENLNETRNKEFENFVSPLIQNRIMSIKKITGIQITI 3JR1 Chain:A ((14-309)) NLYFQGMWKSISQVLAEQFGAYYFIKHKEKLY-SGEMNEIWLINDEVQTVFVKINERSYRSMF---RAEADQLALLAKTNSINVPLVYGIGNSQGHSFLLLEALN-----------KSKNKQSSFTIFAEKIAQLHQIQGPDKYGLDFDTWLGPIYQPNDWQTSWAKFFSENRIGWQLQICKEKGLIFGNIDLIVQIVADTLSKHN-----PKPSILHGNLWIENCIQVDD-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 : 1254 63429 50.58 241.17 target 2D structure prediction score : 0.57 Monomeric hydrophicity matching model chain A : 0.64 3D Compatibility (PKB) : 50.58 2D Compatibility (Sec. Struct. Predict.) : 0.57 1D Compatibility (Hydrophobicity) : 0.64 QMean score : 0.395

(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: