Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSLLNDILEFNKTFTEQREYEKYQTSKFPDKKMAILSCMDTRL-VELLPHAMNLRNGDVKIIKSAGALVTHPFGSIMRSILVAVYELNADEVCVIGHHDCGM---------SKISSKSMLEKIKARGIPEERIETIKYSG--------------VDFDQWFKSFDSVEASVKDSVDVIKHHPLFPENVP----VHGLVIDPKTGKLDLIVNGYNN 3VQJ Chain:A ((35-207)) ----------------------------PSRRVAVVACMDARLDVEDL---LGLQTGEAHIIRNAGGVINE---DAIRCLIISHHLLNTHEIILVHHTRCGMLAFTDDLLRAGLEGDAAAEKLIGQATGRAFVSAGKASASPAAFQAFRGPPEPLDAPRSDASTERIAADVRRGLSIILNHPWLPTAGPDAITVRGFIYDVDTGRLE--------

General information: TITO was launched using: RESULT: Template: 3VQJ.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 : 589 -12825 -21.77 -88.44 target 2D structure prediction score : 0.63 Monomeric hydrophicity matching model chain A : 0.73 3D Compatibility (PKB) : -21.77 2D Compatibility (Sec. Struct. Predict.) : 0.63 1D Compatibility (Hydrophobicity) : 0.73 QMean score : 0.532

(partial model without unconserved sides chains): PDB file : Tito_3VQJ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3VQJ-query.scw PDB file : Tito_Scwrl_3VQJ.pdb: