Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MVSTKTQIAGFEFDNCLMNAAGVACMTIEELEEVKNSAAGTFVTKTATLDFRQGNPEPRYQDVPLGSINSMGLPNNGLDYYLDYLLDLQEKESNRTFFLSLVGMSPEETHTILKKVQ--ESDFRGLTELNLSCPNVPGKPQIAYDFETTDRILAEVFAYFTKPLGIKLPPYFDIVHFDQAAAIFNKYP-LKFVNCVNSSGNGLYI--EDESVVIRPKNGFGGIGGEYIKPTALANVHAFYQRLNPQIQIIGTGGVLTGRDAFEHILCGASMVQVGTTLHKEGVSAFDRITNELKAIMVEKGYESLEDFRGKLRYID 4WZH Chain:A ((35-346)) -MSLQVGILGNTFANPFMNAAGVMCSTEEELAAMTESTSGSLITKSCTPALREGNPAPRYYTLPLGSINSMGLPNKGFDFYLAYSAR-HHDYSRKPLFISISGFSAEENAEMCKRLAPVAAEKGVILELNLS--------QVAYDFDAMRRYLAAISEAYPHPFGVKMPPYFDFAHFDAAAEILNQFPKVQFITCINSIGNGLVIDVETESVVIKPKQGFGGLGGRYVFPTALANVNAFYRRC-PGKLIFGCGGVYTGEDAFLHVLAGASMVQVGTALHEEGAAIFERLTAELLDVMAKKGYKALDEFRGKVKAM-

General information: TITO was launched using: RESULT: Template: 4WZH.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 : 1806 -64524 -35.73 -215.80 target 2D structure prediction score : 0.59 Monomeric hydrophicity matching model chain A : 0.87 3D Compatibility (PKB) : -35.73 2D Compatibility (Sec. Struct. Predict.) : 0.59 1D Compatibility (Hydrophobicity) : 0.87 QMean score : 0.530

(partial model without unconserved sides chains): PDB file : Tito_4WZH.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4WZH-query.scw PDB file : Tito_Scwrl_4WZH.pdb: