Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MQAIEKRNSLFNSLTQAVFDKNMANFWLQKINPLWSVQHGLVQIVKKEFVAHDTVSLTLKCN--RLVKMGAAGQHHPVIVEIAG-----------------------------RRYERTYSLTQIDA--EHLRLTVKKV---------------ADGIVSNWFIAESKIGDVFELGQPYGDMQQNIQTPKLIMLAAGSGITPMLSLITAIKQSQQLEKTQVQLLYWVKQRSDAAFTEYFEQVAEQNPNFSYQVFYTQETPN------DERLNAEHLALV----DGIENSTVYACGPSGFISTVEQLFEKAP----TVLTEAFSLINESSADDIGYVNVTLTQSNKVIAIPKGQSILVSLEHEGLKPTHGCRMGICNKCVCSKTQGSTRNLLNGSQNTEPSQLLKICVNSAQSDLVIDL 2R6H Chain:C ((9-290)) --------------------------------------EWECEVLSNKNVSTFIKEFVVKLPEGETM-NFKSGSYAQIKIPKYNIRYADYDIQDRFRGDWDKMDAWSLTCKNEEETVRAYSMANYPAEGNIITLNVRIATPPFDRAANKWKAGIKPGISSSYIF-SLKPGDKVMMSGPYGDFHIQDTDAEMLYIGGGAGMAPLRAQILHLFRTL-KTGRKVSYWYGARSKNEIFYEEDFREIEREFPNFKFHIALSDPQPEDNWTGYVGFIHQVIYDNYLKDHDAPEDIEYYMCGPGPMANAVKGMLENLGVPRNMLFFDDFG-----------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 2R6H.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain C - contact count / total energy / energy per contact / energy per residue : 1096 13453 12.27 61.15 target 2D structure prediction score : 0.56 Monomeric hydrophicity matching model chain C : 0.64 3D Compatibility (PKB) : 12.27 2D Compatibility (Sec. Struct. Predict.) : 0.56 1D Compatibility (Hydrophobicity) : 0.64 QMean score : 0.485

(partial model without unconserved sides chains): PDB file : Tito_2R6H.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2R6H-query.scw PDB file : Tito_Scwrl_2R6H.pdb: