Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTKIQIKQRPLLTRPEQFQGVPPFIAEILARRGVQSEQELELKLKNLLAPELKGLDAAVALMDQAIDEQKKIVIVGDYDADGATSTALMMLVLRDMGAQVDYLVPDRFKYGYGLTPAIAELAHHTYQPDLLITVDNGISSHAGVDAAHALGMQVIITDHHLTTKET--PLAEAVVNPNQLGCEFPSKALAGVGVAFYVLANLASLRNRQGKSTSKVTQYLDLVALGTYADVAVLDY----NNRILVDAGV-----------KRIQQHQCRV----------------------GIL--------------------------ALLDIA---GREATSI----------------RAQDLGFVLGPRINAAGRMESMRIGIECLLADTMETAYPIAQQLNQLNIDRRQIEGEMKQQALSALDSLQLSQQDIPAALVLFEENWHQGVIGIVAGRLKE----QFHRPTIVFAPDE-DGIHIKGSARSID-----GVHIRDTIEQVAEQHPELVSHFGGHAAAAGLTIRKENFEAFKTVFNDCVA-AMDESIFQATLWTDGELPVSALQLDTLNWIEQLGPWGQKFPLPQFEGYFKVIDFRWLKETHLKLRLAIDQYSFDAIAFNAAGRFEFDPMRDHVHLVYEIDRNVFNGNVSLQLRIVHLNQ 5GHT Chain:A ((5-467)) -------------------------------------------------AFLERVREGAELIKMHIELGHTIRLISHRDADGITAGAILAKAVAREGGTFQLSIV------KQVSEELIDQLA-REKREIYVFSDLGSGSIELIEEKL-NFATVVVADHHPPEKDSFSTDSHVLVNPVPFGA-NSVRDLSGSGVAYFVAREMNRK----------NRDMAYVAIVGAVGDMQEIDGTFHGLNLEIIEDGKELGILEVRKELRLFGRES-RPLYQMLAYATNPEIPEITGDERKAIEWLRAKGFDPEMKYWQLREEEKRKLHEALLVHMIKHGAPKEAIDRLIGDVVISPLYPEGDVRHEAREFATLLNATGRLNAGTLGVAICLGD--EEAYKVARKMLDDYKKEQIEARKFIIQNWNMVE----EG--EHAYVFYAGKNIRDTLVGIAANMAINAGLADPEKPVVVLADSDEDENLVKGSARTTEKALEKGYHLGEALKEVAE---KLGGEGGGHAIAAGIRFPKNRIDEFIKLFNEALGRQ----------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 5GHT.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 : 2012 -64609 -32.11 -175.57 target 2D structure prediction score : 0.58 Monomeric hydrophicity matching model chain A : 0.65 3D Compatibility (PKB) : -32.11 2D Compatibility (Sec. Struct. Predict.) : 0.58 1D Compatibility (Hydrophobicity) : 0.65 QMean score : 0.439

(partial model without unconserved sides chains): PDB file : Tito_5GHT.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5GHT-query.scw PDB file : Tito_Scwrl_5GHT.pdb: