Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence --MKQLKWR------TVNPEETKAIAKLTAAFAKPGDVLTLEGDLGAGKTTFTKGFAEGLGITRIVNSP---TFTIIKEYNDGVLP-LYHMD------VYRMEDESEDLGLDEYFHGQGVCLVEWAHLIEEQLPQERLQIVIKRAGDDEREITFTAVGNRYEMLCEELSRHDNISN-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- 1JR3 Chain:A ((3-368)) YQVLARKWRPQTFADVVGQEHVLTALANGLSLGRIHHAYLFSGTRGVGKTSIARLLAKGLNCETGITATPCGVCDNCREIEQGRFVDLIEIDAASRTKVEDTRDLLDNVQYAPARGRFKVYLIDEVHM----LSRHSFNALLKTLEEPPEHVKFLLATTDPQKLPVTILSRCLQFHLKALDVEQIRHQLEHILNEEHIAHEPRALQLLARAAEGSLRDALSLTDQAIASGDGQVSTQAVSAMLGTLDDDQALSLVEAMVEANGERVMALINEAAARGIEWEALLVEMLGLLHRIAMVQLSPAALGNDMAAIELRMRELARTIPPTDIQLYYQTLLIGRKELPYAPDRRMGVEMTLLRALAFHPRMPLPEP

General information: TITO was launched using: RESULT: Template: 1JR3.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 : 654 -71002 -108.57 -461.05 target 2D structure prediction score : 0.61 Monomeric hydrophicity matching model chain A : 0.59 3D Compatibility (PKB) : -108.57 2D Compatibility (Sec. Struct. Predict.) : 0.61 1D Compatibility (Hydrophobicity) : 0.59 QMean score : 0.353

(partial model without unconserved sides chains): PDB file : Tito_1JR3.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1JR3-query.scw PDB file : Tito_Scwrl_1JR3.pdb: