Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MDLCFDVSNLFRSSLRVIMQHPTSTDIQRVREFLLDLQARICAGLEQQEKAGGGTAEFIIDDWERPEGGGGRSRVLQNGTVIEKGGVMFSHINISKLPPSATERHPQIAGAKAQALGVSLVIHPKNPNIPTSHANVRLFVAEREGQDPIWWFGGGFDLTPFYPDDQDVLNWHQAAYDLCKPFGDNVYAEHKKWCDDYFYLKHGDEQRGVGGLFFDDLNCWDFETCFKYIQAVGNGYLNAILPIFEKHREQPYTEAQREFQLYRRGRYVEYNLVYDRGTLFGLQTGGRIESILVSLPNLAAWSYRPEWDEDSPEKRLTDYYLKPRDWLGLEEKVA 3DWR Chain:B ((10-309)) -----------------------SLAVEAVKDFLLKLQDDICEALEAED----GQATFVEDKWT-----GGRTRVMVDGAVIEKGGVNFSHVYG----------------CNFEAMGVSLVIHPKNPHVPTSHANVRLFVA-----EPVWWFGGGFDLTPYYAVEEDCRDFHQVAQDLCKPFGADVYARFKGWCDEYFFIPYRNEARGIGGLFFDDLNEWPFEKCFEFVQAVGKGYMDAYIPIVNRRKNTPYTEQQVEFQEFRRGRYAEFNLVIDRGTKFGLQSGGRTESILISLPPRARWGYNWQPEPGTPEARLTEYFLTKRQWV-------

General information: TITO was launched using: RESULT: Template: 3DWR.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 1474 -140760 -95.49 -513.72 target 2D structure prediction score : 0.65 Monomeric hydrophicity matching model chain B : 0.83 3D Compatibility (PKB) : -95.49 2D Compatibility (Sec. Struct. Predict.) : 0.65 1D Compatibility (Hydrophobicity) : 0.83 QMean score : 0.451

(partial model without unconserved sides chains): PDB file : Tito_3DWR.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3DWR-query.scw PDB file : Tito_Scwrl_3DWR.pdb: