Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MGRRKSVLYFYDENIGNFHY----GPSHPMKPHRVRMTHDLIQAYDLLQSMDIVKPLKPAVEDLTRFHANDYVDFLRASAQSRLEASLSPRPFLFFSPSPAAARSASRPSPPPQAEGAAAVSAGASGVSVVQSGSGSRVRSTLHPLRSESRSVSPATSAFDSRVPPEAVGADALSSTDARGRTPPKSLGADLGPGGWSRAATQKPPFLQASSGDGAHGPLGLQCPSAAEETGTGGQAPAWAPPGVSPSLRRGEDANGLLSSAAFDEEVAAPPVPLSSSLADQMARFNVGEDCPVF-DGLWEYCQTYSGGSIEGARRVVRGEYDWAINWA-GGLHHGKKHEASGFCYINDCVLAALEFLRF--KHRVLYVDVDIHHGDGVEEAFYTSPRVLCCSFHKYG--DYFPGTGALDDVGIDEGLGYSVNVPLSE----GVDDAMYTRLFRQVMDMIMESYRPEAVVLQCGADSLSGD--RLGCFNLSIDGHSEAVRYFCSK-DVPALFLGGGGYTLRNVPRCWATETGYVLGLSLNPNIPEESEYVGYYGPDSTLHVRTSNMENRNEDSYVQHVIERISQTLKDHVRPVGAQISANYFLDDSVMDKSDQIRALLADEEEEKAMDSSGDAEDADGAGRFEEISNRNRG 2VQJ Chain:A ((6-399)) --PRFTTGLVYDTLMLKHQCTCGSSSSHPEHAGRIQSIWSRLQETGLRGKCECIRGRKATLEELQTVHSEAHTLLYGTNPLNRQKLDSKK---------------------L-------------------------------------------------------------------------------------------------------------------------LG-------------------SLA----SVFVR--------------LPCGGVGVDSDTIWNEVHSAGAARLAVGCVVELVFKVATGELKNGFAVVRPPGHHAEESTPMGFCYFNSVAVAAKLLQQRLSVSKILIVDWDVHHGNGTQQAFYSDPSVLYMSLHRYDDGNFFPGSGAPDEVGTGPGVGFNVNMAFTGGLDPPMGDAEYLAAFRTVVMPIASEFAPDVVLVSSGFDAVEGHPTPLGGYNLSARCFGYLTKQLMGLAGGRIVLALEGGHDLTAICDASEACVSALLGNELD-PLPE-K----------VL----QQRPNANAVRSMEKVMEIHSKYWRCLQRTTSTAGRSLI--------------------------------------------------

General information: TITO was launched using: RESULT: Template: 2VQJ.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 : 2308 -4933 -2.14 -13.08 target 2D structure prediction score : 0.63 Monomeric hydrophicity matching model chain A : 0.65 3D Compatibility (PKB) : -2.14 2D Compatibility (Sec. Struct. Predict.) : 0.63 1D Compatibility (Hydrophobicity) : 0.65 QMean score : 0.253

(partial model without unconserved sides chains): PDB file : Tito_2VQJ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2vqj-query.scw PDB file : Tito_Scwrl_2VQJ.pdb: