Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MVVAWHRPTKAVIHKKAITENVANEVARLPQGKELFAVVKANGYGHGAIETAEAAVAGGASGFCVSNLDEGVELREAGFTQPILILNMVPYDALTVAVAHDLSVTAGTREWLQAAAAVLEKSKLETPLSIHLKADTGMGRIGFCTPEEVKEAAAFIKESRVLEWEGLFTHFSTADQADDTYWNLQKERFIEVLKKLPEL---PRYVHVSNSATALWHDETIGNMIRYGVAMYGLNPSGHALPEV-YPLQPALELVSELIQVKKLPAGEGIGYGETYITPEAEWIGTIPIGYADGWPRKMQGFSLLVEGNYCETIGRVCMDQLMIRLPQEFPVGTKVTLIGKNADKEITMQDIADQLGTIHYEVACGLGQRIPREYQE 3HA1 Chain:A ((6-373)) ----FYRDTWVEVDLDAIYNNVTHIKEFIPSDVEIFAVVKGNAYGHDYVPVAKIALEAGATRLAVAFLDEALVLRRAGITAPILVLGPSPPRDINVAAENDVALTVFQKEWVDEAIKLWDGS---STMKYHINFDSGMGRIGIRERKELKGFLKSLEGAPFLELEGVYTHFATADEVETSYFDKQYNTFLEQLSWLKEFGVDPKFVHTANSAATLRFQGITFNAVRIGIAMYGLSPSVEIRPFLPFKLEPALSLHTKVAHIKQVIKGDGISYNVTYRTKTEEWIATVAIGYADGWLRRLQGFEVLVNGKRVPIVGRVTMDQFMIHLPCEVPLGTKVTLIGRQGDEYISATEVAEYSGTINYEIITTISFRVPRIF--

General information: TITO was launched using: RESULT: Template: 3HA1.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 : 2062 -146649 -71.12 -402.88 target 2D structure prediction score : 0.59 Monomeric hydrophicity matching model chain A : 0.82 3D Compatibility (PKB) : -71.12 2D Compatibility (Sec. Struct. Predict.) : 0.59 1D Compatibility (Hydrophobicity) : 0.82 QMean score : 0.549

(partial model without unconserved sides chains): PDB file : Tito_3HA1.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3HA1-query.scw PDB file : Tito_Scwrl_3HA1.pdb: