Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSERTFNWKNKDIRAQVDVVDSKLLPTLLLRNALVLNPYVKQWLKKNIWIYQDRIVYVGHELPNRAEEIHTIDCEGKYIVPGYIEPHAHPF-QIYNPQTLAEYVSQYGTTTFVNDNLFLLLQSGKKKALTILNELKKQPVQYFWWSRYDLQTEV-L-NEDHVLPFDVRKQWIEHPDVIQGGEMTGWPRLVDGDDLMLHCMQATKKQRKRIEGHFPGASDKTLTKMKLFGADCDHEAMTGDEVMRRLELGYYVSLRNSSIRPDVRKILQE---LHEKGFRYYDHFFYTTDGATPNFY-KGGMTNELIRIALEEGVPAIDAYNMASFNIAKYYQMDDYLGVVGPGRLASLNILEDPLNPNPVTVLSKGTILRENGCDLKAFTKTDW-HKGGLVPLELSYDMTMDDLQFSMPMG-VKM--RNAV-IMEPYMIEI--DNSMEQLSFDHDESYLTMLDRHG---KWRVNTMIKGFASSVQGFVSSFT-TTGDIVAIGKNKADMLLAFARMKEIGGGIVLAENGNILHEIPLALCGCASSEAYEDVLEKEQKLRDLLTERGYEFCDPIYTL---LFLQSTHLPYIRITPRGIFDVMKKTVLFPSIMR 3NQB Chain:A ((17-595)) -------NDDTLRARAVAAARGDQRFDVLITGGTLVDVVTGELRPADIGIVGALIASVHEPASR-RDAAQVIDAGGAYVSPGLIDTHMHIESSMITPAAYAAAVVARGVTTIVWDPHEFGNVHGVDGVRWAAKAIENLPLRAILLAPSCVPSAPGLERGGADFDAAILADLLSWPEIGGIAEIMNMRGVIERDPRMSGIVQAGLAAEKLVCGHARGLKNADLNAFMAAGVSSDHELVSGEDLMAKLRAGLTIELRGSH-DHLLPEFVAALNTLGHLP-Q---TVTLCTDDVFPDDLLQGGGLDDVVRRLVRYGLKPEWALRAATLNAAQRLGRS-DLGLIAAGRRADIVVFEDLNGFSARHVLASGRAVAEGGRMLVDI--PTCDTTVLKGSMKLPL-RMANDFLVKSQGAKVRLATIDRPRFTQWGETEADVKDGFVV--PPEGATMISVTHRHGMAEPTTKTGFLTGWGRWNGAFATTVSHDSHNLTVFGGNAGDMALAANAVIGTGGGMAVASEGKVTAILPLPLSGLVSDAPLEEVARAFEDLREAVGKV-VEWQPPYLVFKACFGATLACNIGPHQTDMGIADVLTGKVMESPV--

General information: TITO was launched using: RESULT: Template: 3NQB.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 : 3628 -320726 -88.40 -574.78 target 2D structure prediction score : 0.58 Monomeric hydrophicity matching model chain A : 0.70 3D Compatibility (PKB) : -88.40 2D Compatibility (Sec. Struct. Predict.) : 0.58 1D Compatibility (Hydrophobicity) : 0.70 QMean score : 0.478

(partial model without unconserved sides chains): PDB file : Tito_3NQB.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3NQB-query.scw PDB file : Tito_Scwrl_3NQB.pdb: