Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence ------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------MQKDHVGAVYELLNEAAIMIKNELQISYIEALAEAGEMYFLEKTDQLKLPADQKTKQLQALLEKAEFGTYEHEWVRKAFQLAVLKGMKDISHPNRQMTPDTIGLFISYLVNKFMADK--KELTILDPALGTGNLLFTVLNQLSEK-TANSFGIEIDDVLLKIAYAQANLL------KKELELFHQDSLEPLFIDP--VDTVIC-DLP--VGYYPNDEGAEAFELKADE---------GHSFAHHLFIEQSVKHTKPGGYLFFM-IPNHL-FESSQSGKLKQFFKDKVHINALLQLPKSIFKDEAHAKSILVLQKQGENTKAPGQILLANLPSFSNQKAMLDMMAQFDEWFKKEK----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- 3S1S Chain:A ((6-875)) LNNCVFSYLPSYGDDEVSVYHPICEAALNQALVNTGLDSTYEVVHHELVGSIEADFVIKNKQTKKYLLIVEVKRTKSQVSSTRYRLQAQSYVREANIKVEQHYYCLTNLEIIDFFKHDPNKPVVSQQIIEPSPIVVGNFSDTVSEFYNRLVEAFQNIIDISVNDAGTYKSSTANLVDILENRKDNSTSWHQALVVAGYEYIRGVLRGQNVEVPTRDAIYF--------KSRPGRLLEEGRKIDFNVLFSEPEPNTNDNDIWNVNLLSSLNDLGRRILTGDELAELIHDIATRGRGHEGVVPTDIELGKVLSIISQHILGRPLTEDEVISDPAAGSGNLLATVSAGFNNVMPRQIWANDIETLFLELLSIRLGLLFPQLVSSNNAPTITGEDVCSLNPEDFANVSVVVMNPPYVSGVTDPAIKRKFAHKIIQLTGNRPQTLFGQIGVEALFLELVTELVQDGTVISAIMPKQYLTAQGNESKAFREFLVGNFGLEHIFLYPREGLFEEVIKDTVVFVGRKGSSVE---EIEVLDSFTPLEQVDLHNLKRALSNSSNEQIIQPMGMELRKEKREELENRVTVGWRHITSNGRVAEEWITNNLESHCIRLVASDYDLRRGRVGNKGASDLLFINSKKKLWDLLDESVPRDWLYPALRKVNEINTPIFNEDATPVRFLCPPNSAYQDGTGESIILDKILDVYVDFQVYKSKQKKFEKSKEELKEILYKESDFYSSEHTVFIPRALRRSARAFINEQKVFCSTNALEVFGGNSEEMWLLLSWLSSVFAQLQFEAMAKDQEGERKLEKKSIQNLYIPNLGDIDDVLKQDLIEEVREIHFFDLCRPRVRKLDLLWAKVFWSGNEMSKTKEAAELLEDLVFERYPEGSQ

General information: TITO was launched using: RESULT: Template: 3S1S.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 : 1507 73865 49.01 232.28 target 2D structure prediction score : 0.60 Monomeric hydrophicity matching model chain A : 0.57 3D Compatibility (PKB) : 49.01 2D Compatibility (Sec. Struct. Predict.) : 0.60 1D Compatibility (Hydrophobicity) : 0.57 QMean score : 0.302

(partial model without unconserved sides chains): PDB file : Tito_3S1S.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3S1S-query.scw PDB file : Tito_Scwrl_3S1S.pdb: