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 3J15 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: 3J15.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 29988 16.75 75.73 target 2D structure prediction score : 0.57 Monomeric hydrophicity matching model chain B : 0.70 3D Compatibility (PKB) : 16.75 2D Compatibility (Sec. Struct. Predict.) : 0.57 1D Compatibility (Hydrophobicity) : 0.70 QMean score : 0.292

(partial model without unconserved sides chains): PDB file : Tito_3J15.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3J15-query.scw PDB file : Tito_Scwrl_3J15.pdb: