Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKRILIVTGQSGSGKSSALQVLE-DLG-----YYCIDNLPLAL-LPE--IVAKLDHEN-----------NLE-QLALGVDVRSTRADMQEFDHVFEQLQ-KHGTVDVIYLTTQDQDLIARFSASRRPHPLANRFKSLLQCIHEEKQLLIPIQFCATVHIDTTDKSVHDLKHILLSKLGQSDNLIVILQSFGYKHGIPLDADYVFDVRHLPNPHWDLELRRFSGLDEPVKQFLEASPQANEMFEDILHFLKKWLPAFAEGHRHYMTISIGCTGGQHRSVYMVDRLKQALEAEWSVQVLHREMKHWS 5CB8 Chain:B ((24-191)) RGVTIWLTGLSGAGKTTITHALEKKLRDSGYRLEVLDGDVVRTNLTKGLGFSKEDRDTNIRRIGFVSHLLTRNGVIVLVSAISP------YAAIRQEVKHTIGDFLEVFVNAPLAVCEERDVKGLYAKARS----GEIKGFTGIDDPYEP-PTNPDVECRTDLEELDESVGKIWQKLVD------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 5CB8.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 : 705 -8185 -11.61 -56.06 target 2D structure prediction score : 0.51 Monomeric hydrophicity matching model chain B : 0.60 3D Compatibility (PKB) : -11.61 2D Compatibility (Sec. Struct. Predict.) : 0.51 1D Compatibility (Hydrophobicity) : 0.60 QMean score : 0.325

(partial model without unconserved sides chains): PDB file : Tito_5CB8.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5CB8-query.scw PDB file : Tito_Scwrl_5CB8.pdb: