Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence --MKIIVIGQSGSGKSTLARKIKEITDFPLLPLDLLWHTTD-------YSIQAKKWFLQEQQLFMVS--NPSWIVEGN----YTSTLEERIKEADKIIWLKVPRYLAIYRVVWRSLKRKINKKSRPDMPESFSEKLNREYLEFLSFIWHFEENNEPKIQQLIQVANARNKLIILKTRREKQEFLTKLKIESKNN 1SHK Chain:A ((1-173)) MTEPIFMVGARGCGKTTVGRELARALGYEFVDTDIFMQHTSGMTVADVVAAEGWPGFRRRESEALQAVATPNRVVATGGGMVLLEQNRQFMRAHGTVVYLFAP-----AEELALRL-------QIAEEMEAVLREREALYQDVAHYVVDATQPPAAIVCELMQTMRLPAA------------------------

General information: TITO was launched using: RESULT: Template: 1SHK.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 : 690 13194 19.12 92.27 target 2D structure prediction score : 0.70 Monomeric hydrophicity matching model chain A : 0.66 3D Compatibility (PKB) : 19.12 2D Compatibility (Sec. Struct. Predict.) : 0.70 1D Compatibility (Hydrophobicity) : 0.66 QMean score : 0.377

(partial model without unconserved sides chains): PDB file : Tito_1SHK.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1SHK-query.scw PDB file : Tito_Scwrl_1SHK.pdb: