Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKKLYGVIGNPIGHSMSPDIHNASLKDLGLDGHYHAFKVEENDLEDAVKGIRALGVQGINVTVPHKVSIMDYLDHIDESAKVLGAVNTVRR-EGDKLVGYNTDGEGFVKSLMKV-LDKPISELSFLMIGAGGAARAIFTTIVRNTPKKFDICNRTLEKAKRLTEATPSFHNKEVLSIKEAEERLEQYDVIIHTTSVGMYPNVDDVPLSLQRAASSAVVC-DIVYNPIQTALLKEASQKGLK-TLDGVGMFVEQAALSFQLWTGQEPNIEKMRSIVIGKLGGTEC 1NYT Chain:D ((4-262)) ----YAVFGNPIAHSKSPFIHQQFAQQLNIEHPYGRVLAPINDFINTLNAFFSAGGKGANVTVPFKEEAFARADELTERAALAGAVNTLMRLEDGRLLGDNTDGVGLLSDLERLSFIRP--GLRILLIGAGGASRGVLLPLL-SLDCAVTITNRTVSRAEELAKLFAHTGSIQALSMDELEG--HEFDLIINATSSGISGDIPAIPSSL---IHPGIYCYDMFYQKGKTPFLAWCEQRGSKRNADGLGMLVAQAAHAFLLWHGVLPDVEPV-------------

General information: TITO was launched using: RESULT: Template: 1NYT.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain D - contact count / total energy / energy per contact / energy per residue : 1427 -62676 -43.92 -245.79 target 2D structure prediction score : 0.59 Monomeric hydrophicity matching model chain D : 0.77 3D Compatibility (PKB) : -43.92 2D Compatibility (Sec. Struct. Predict.) : 0.59 1D Compatibility (Hydrophobicity) : 0.77 QMean score : 0.558

(partial model without unconserved sides chains): PDB file : Tito_1NYT.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1NYT-query.scw PDB file : Tito_Scwrl_1NYT.pdb: