Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MIIQAISIKKTIGGNPLFEDLSCQIEAGEKIALVGINGTGKSTFLQILTGR------EGVDS--GVISRKKGLKIGTVEQELTVSEATVNHYLLHSAAEIQDLKQQMSRYEALMTEPDTNLEKCLARYGELQHRFEELGGYVLEDRIAAILQGLGIPHRQEARLTELSGGERVKVALAKILAADADLLLLDEPTNHLDLN---SIRWLENYLQNTKKSVLVVSHDRQFLDQVTTKTWELEEGALIEYPGNYSRFRVLKEAR--LAELTKNYELQQKEVQRLKVMIRRFRQWAHEGDNESFFKKAKE---LERRLAKLTLVKPPPPPKNRLQSLSNGGKSGKEVFIIQNLHQQYADQVLFKDSSFAVYRGDHLAIIGDNGAGKSTLLKLLLGEEKPYGGTIKLGSSLQIGYLPQQL--QFADPDSRLLAYAITLTGNEEVARRQLAKSGFYQSDVGKRIKDLSGGEKIRLALLKLFLEKINVLILDEPTNHLDSYAR----EEIEEMLQDYQGTLLAVSHDRYFLQQHFQEALVIDQEQISRQPLGQLID 5LW7 Chain:B ((100-517)) ------------------------VKDGMVVGIVGPNGTGKTTAVKILAGQLIPNLCEDNDSWDNVIRAFRG-------NELQ------NYFERLKNGEIRPVVK--PQYVDLLPK------AVKGKVRELLKKVDEVGKFEEVVKELELENVL------DRELHQLSGGELQRVAIAAALLRKAHFYFFDEPSSYLDIRQRLKVARVIRRLANEGKAVLVVEHDLAVLDYLSDVIH-----VVYGEPGVYGIFSKPKGTRNGINEFLQGY-LKDENV--------RFRPY------EIRFTKLSERVDVERE----TLVEYP------------------------RLVKDYGSFKLEVEPG-EIRKGEVIGIVGPNGIGKTTFVKMLAGVEEPTEGKVEW--DLTVAYKPQYIKAEYEGTVYELLSKIDSSKLNSNFYKTELLKPLGIIDLYDRNVEDLSGGELQRVAIAATLLRDADIYLLDEPSAYLDVEQRLAVSRAIRHLMEKNEKTALVVEHD-----------------------------

General information: TITO was launched using: RESULT: Template: 5LW7.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 1790 30034 16.78 75.84 target 2D structure prediction score : 0.57 Monomeric hydrophicity matching model chain B : 0.70 3D Compatibility (PKB) : 16.78 2D Compatibility (Sec. Struct. Predict.) : 0.57 1D Compatibility (Hydrophobicity) : 0.70 QMean score : 0.288

(partial model without unconserved sides chains): PDB file : Tito_5LW7.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5LW7-query.scw PDB file : Tito_Scwrl_5LW7.pdb: