Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MDSFSQKLNTYAQLAVEVGVNVQKGQYVVVNASTDVRDFVRLIVKHAYEKGAKNVTVNWQDDEVAKLKYELAPFEAFEEYPEWEAKGREELAKNGAAFISVVSSNPDLLKGIDSKRIAAFQKAAGKALHTYRQYIQSDKVSWTVVGAASAGWAHKVFPGKSEEEAIHLLWEEIFKATRVNEDNPVQAWINHDQNLHEKV-DHLNERHYAALHYQAEGTDLTIKLPRKHVWAGAGSVNESGHEFMANMPTEEVFTLPQKDGVDGVVSSTKPLSYGGNIIENFTLTFENGRIVDIKAEKGEDILKELVETDEGSHYLGEVALVPYDSPISQSNILFYNT--LFDENASNHLAIGSAYAFNIEGGKQMSREELVKEGLNESITHVDFMIGS-KDMNIDGITADGKREPIFRNGNWAF--------- 4K6N Chain:A ((32-383)) -------------------------------PNFEVLATFRYDPGFARQSASKKEIFETPDPRLGLRDEDIRQQIINEDYSSYL---RVREVNSGGDLLENIQ-HPDAWKH-DCKTIVCQRVEDMLQVIYERFFL-LDEQYQRIRIALSY---FKIDFSTSLNDLLKLLVENLINCKEGNSE--------YHEKIQKMINERQCYKMRVLVSKTGDIRIEAIPMPMEPILKLTTDYDSVSTYFIKTML--NGFLIDSTINWDVVVSSEPLNA------SAFTSFKTTSR---DHYARARVRMQTAINNLRGS---------EPTSSVSQCEILFSNKSGLLMEGSITNVAVIQKDP---NGSKKYVTPRLATGCLCGTMRHYLLRLGLIEEGDIDIGSLTVGNEVLLFNGVMGCIKGTVKTKY

General information: TITO was launched using: RESULT: Template: 4K6N.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 : 1666 -78238 -46.96 -230.79 target 2D structure prediction score : 0.47 Monomeric hydrophicity matching model chain A : 0.64 3D Compatibility (PKB) : -46.96 2D Compatibility (Sec. Struct. Predict.) : 0.47 1D Compatibility (Hydrophobicity) : 0.64 QMean score : 0.132

(partial model without unconserved sides chains): PDB file : Tito_4K6N.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4K6N-query.scw PDB file : Tito_Scwrl_4K6N.pdb: