Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence -----------------------------------------------------------------------------------------------------------------------------MCRQITSFYSNDITNKTKVEL------DMSDTVIRDFFVSLGFSTDNEGARKMVDTLKGV----------ELKAALLHKTLLLLATGAVVAVTKTASELDKLYYSSQR--IGASASNIRAYGDAISQMG-GNAQNALQSLENVAQKMRNSPGYEGMLTGMGVATR-----DGNGQLRDRVEVMKDLSKT----MKGMDYYQANAYASSLGIDENTLMAMRDDKFIDNMEKYQ------KLRQSVGLTDELTKS-GTDFMVE--FRDITMTTKAITEVVVMTAGQVLIPV------LKVINNFLRSAIAWFAEL---DPRFKAILATGLKF--ALLAIIFGGFIGTIAKL---------ASVLPMLKSLLFLIKSLRLAFLASPIGIVLA------LAAAIAALWDDYQTWKNGGESLIDWSKWENGIETAISRIKQLAE-LIKSLKDKTVEFVTKAIDD-----PAGTAKETVAAVTEAAKTGTAAVVSATKSTVSTIKNNIASSTGFSQKYKSKNFTSDKAKTIEAVAKRIGVDPNDLAAVISFETSGTFSPSAKNPKSSATGLIQFMAGSGGTKGKYYGMSRKKFASLSFDEQMVYVEKYFKERGFKSSKKRDVADLYTAVTGYGYKKGSEAYELNKVWDS--NKDGYIAKGEMVQNTSFKKHQRNYFTPNITSAPKVNISNTKNLANVGNPHKEQVNKSNASSANITIYQSHNTEMTINGADNPKETAQVVQRHNENTMIQMARNVKPLIG 5IFE Chain:C ((463-1304)) NLPFLKPDDIQYFDKLLVDVDESEEQKERKIMKLLLKIKNGTPPMRKAALRQITDKAREFGAGPLFNQILPLLMSPTLEDQERHLLVKVIDRILYKLDDLVRPYVHKILVVIEPLLIDEDYYARVEGREIISNLAKAAGLATMISTMRPDIDNMDEYVRNTTARAFAVVASALGIPSLLPFLKAVCKSKKSWQARHTGIKIVQQIAILMGCAILPHLRSLVEIIEHGLVDEQQKVRTISALAIAALAEAATPYGIESFDSVLKPLWKGIRQHRG-KGLAAFLKAIGYLIPLMDAEYANYYTREVMLILIREFQSPDEEMKKIVLKVVKQCCGTDGVEANYIKTEILPPFFKHFWQHRMALDRRNYRQLVDTTVELANKVGAAEIISRIVDDLKDEAEQYRKMVMETIEKIMGNLGAADIDHKLEEQLIDGILYAFQEQTTEDSVMLNGFGTVVNALGKRVKPYLPQICGTVLWRLNNKSAKVRQQAADLISRTAVVMKTCQEEKLMGHLGVVLYEYLGEEYPEVLGSILGALKAIVN----VIGMHKMTPPIKDLLPRLTPILKNRHEKVQENCIDLVGRIADRGAEYVSAREWMRICFELLELLKAHKKAIRRATVNTFGYIAKAI----GPHDVLATLQNRVCTTVAIAIVAET--CSPFTVLPALMNE----YRVPELNVQNGVLKSLSFLFEYIGEMGKDYIYAVTPLLEDALMD---------RDLVHRQTASAVVQHMSLGVYGFGCEDSLNHL-LNYVWPNVFETSPHVIQAVMGALEGLRVAI--------------GPCRMLQYCLQGLFHPARKVRDVYWKIYNSIYIGSQDALIAHYPRIYNDDKNTYIRYELDYIL-----------

General information: TITO was launched using: RESULT: Template: 5IFE.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain C - contact count / total energy / energy per contact / energy per residue : 3032 -8173 -2.70 -12.91 target 2D structure prediction score : 0.54 Monomeric hydrophicity matching model chain C : 0.64 3D Compatibility (PKB) : -2.70 2D Compatibility (Sec. Struct. Predict.) : 0.54 1D Compatibility (Hydrophobicity) : 0.64 QMean score : 0.312

(partial model without unconserved sides chains): PDB file : Tito_5IFE.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5IFE-query.scw PDB file : Tito_Scwrl_5IFE.pdb: