Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MANIKDIAEKAGVSVTTVSRVINNHPYVSEDKRKRVFEAMESLEYTRNIHAVHLSKGFSNMIGVVLPTVNLPYFAELIAGIADAAAESGVHLSLFQTNYEVQKEIFALSQLKQRQVDGLIFCSKALADEK----LMEWEGPILLCQNSDNAR-FPTISIPHQEAFRNGLDYLIAKGHKKIAICLARKKGMNSHFRIKAYKEALEEIGEAFREDWVIEKAITINDGKALFHKWNTWKEKPTAIFVANDQVSAGLFLEAKNQRVSVPDELAILSVDNHEISQAL--GITTIDIQTREMGKQAFAILEKRIQGQPIERK--VLDYRLIERSTV 2O20 Chain:E ((62-328)) ---------------------------------------------------------RTTTVGVILPTITSTYFAAITRGVDDIASMYKYNMILANSDNDVEKEEKVLETFLSKQVDGIVYMGSSL-DEKIRTSLKNSRTPVVLVGTIDGDKEIPSVNIDYHLAAYQSTKKLIDSGNKKIAYIMGSLKDVENTERMVGYQEALLEANIEFDENLVFEGNYSYEQGKALAERL--LERGATSAVVSHDTVAVGLLSAMMDKGVKVPEDFEIISGANSPITQYTYPTLTSVNQPLYDLGAVAMRLLTKLMLKEDVEQNQLVLDHEIFSR---

General information: TITO was launched using: RESULT: Template: 2O20.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain E - contact count / total energy / energy per contact / energy per residue : 1385 -173531 -125.29 -672.60 target 2D structure prediction score : 0.65 Monomeric hydrophicity matching model chain E : 0.73 3D Compatibility (PKB) : -125.29 2D Compatibility (Sec. Struct. Predict.) : 0.65 1D Compatibility (Hydrophobicity) : 0.73 QMean score : 0.592

(partial model without unconserved sides chains): PDB file : Tito_2O20.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2O20-query.scw PDB file : Tito_Scwrl_2O20.pdb: