Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MVFCFRLDKKEESAMAEIRIGHSQVYAEQLGLGANAVGGHNLFDGLEDE-TGKQVVRTALNSGINLIDTAYAYGNGRSEELIGEVLKEKEYDRSRVVIATKAAHVPNK-GRTFDNSPEFLKQSVEDALKRLQTDYIDIFYIHFPDESTPKNESVATLHELKEAGKIRAVGVSNFTLEQLKEANADGYVDVVEDKYSLIHRQAEKELFPYLEKNKISFVPYFPLASGLLTGKYELGEEKQFGEGDPRKRNPDFQGERFREILTAVDVLRPIAKRYQATPAQLVLAWYMKNPRVSVVIPGAKRPEQVSDNVQALDLHLSNEDYQTIDEAFRGF 1PYF Chain:A ((2-311)) ---------------KKAKLGKSDLQVFPIGLGTNAVGGHNLYP-NLNEETGKELVREAIRNGVTMLDTAYIYGIGRSEELIGEVLRE-FN-REDVVIATKAAHRKQGNDFVFDNSPDFLKKSVDESLKRLNTDYIDLFYIHFPDEHTPKDEAVNALNEMKKAGKIRSIGVSNFSLEQLKEANKDGLVDVLQGEYNLLNREAEKTFFPYTKEHNISFIPYFPLVSGLLAGKYTEDTTF--PEGDLRNEQEHFKGERFKENIRKVNKLAPIAEKHNVDIPHIVLAWYLARPEIDILIPGAKRADQLIDNIKTADVTLSQEDISFIDKLFAP-

General information: TITO was launched using: RESULT: Template: 1PYF.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 : 1626 68833 42.33 223.48 target 2D structure prediction score : 0.67 Monomeric hydrophicity matching model chain A : 0.86 3D Compatibility (PKB) : 42.33 2D Compatibility (Sec. Struct. Predict.) : 0.67 1D Compatibility (Hydrophobicity) : 0.86 QMean score : 0.622

(partial model without unconserved sides chains): PDB file : Tito_1PYF.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1PYF-query.scw PDB file : Tito_Scwrl_1PYF.pdb: