Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MVSTKTQIAGFEFDNCLMNAAGVACMTIEELEEVKNSAA-GTFVTKTATLDF-RQGNPEPRYQDVPL-GSINSMGLPNNGLDYYLDYLLDLQEKESNRTFFLSLVGMS-----PEETHTILKKVQESDFRGLTELNLSCPNVPGKPQIAYDFETTDRILAEVFAYFTK----PLGIKLPPYFDIVHFDQAAAIFNKYPLKFVNCVNSSGNGLYIEDESVVIRPKNG--FGGIGGEYIKPTALANVHAFYQRLNPQIQIIGTGGVLTGRDAFEHILCGASMVQVGTTLHKEGVSAFDRITNELKAIMVEKGYESLEDFRGKLRYID 2DOR Chain:A ((1-311)) --MLNTTFANAKFANPFMNASGVHCMTIEDLEELKAS-QAGAYITKSSTLE-KREGNPLPRYVDLE-LGSINSMGLPNLGFDYYLDYVLKNQKENAQE----GPIFFSIAGMSAAENIAMLKKIQESDFSGITELNLSCPNVP----GKPQLAYDFEATEKLLKEVFTFFTKPLGVKLPPYFDLVHFDIMAEILNQFPLTYVNSVNSIGNGLFIDPEAESVVIKPKDGFGGIGGAYIKPTALANVRAFYTRLKPEIQIIGTGGIETGQDAFEHLLCGATMLQIGTALHKEGPAIFDRIIKELEEIMNQKGYQSIADFHGKLKSL-

General information: TITO was launched using: RESULT: Template: 2DOR.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 : 1713 -26655 -15.56 -89.75 target 2D structure prediction score : 0.66 Monomeric hydrophicity matching model chain A : 0.84 3D Compatibility (PKB) : -15.56 2D Compatibility (Sec. Struct. Predict.) : 0.66 1D Compatibility (Hydrophobicity) : 0.84 QMean score : 0.546

(partial model without unconserved sides chains): PDB file : Tito_2DOR.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2DOR-query.scw PDB file : Tito_Scwrl_2DOR.pdb: