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 2VQM Chain:A ((6-399)) --PRFTTGLVYDTLMLKHQCTCG------HAGRIQSIWSRLQETGLRGKCECIRGRKATLEELQTVHSEAHTLLYGTNPLNRQ----KK---------------------L-------------------------------------------------------------------------------------------------------------------------LG-------------------SLA----SVFVR--------------LPCGGVGVDSDTIWNEVHSAGAARLAVGCVVELVFKVATGELKNGFAVVRPPGHHAEESTPMGFCYFNSVAVAAKLLQQRLSVSKILIVDWDVHHGNGTQQAFYSDPSVLYMSLHRYDDGNFFPGSGAPDEVGTGPGVGFNVNMAFTGGLDPPMGDAEYLAAFRTVVMPIASEFAPDVVLVSSGFDAVEGHPTPLGGYNLSARCFGYLTKQLMGLAGGRIVLALEGGHDLTAICDASEACVSALLGNELD-PLPE-K----------VL----QQRPNANAVRSMEKVMEIHSKYWRCLQRTTSTAGRSLI--------------------------------------------------

General information: TITO was launched using: RESULT: Template: 2VQM.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 : 2235 -32073 -14.35 -87.39 target 2D structure prediction score : 0.62 Monomeric hydrophicity matching model chain A : 0.65 3D Compatibility (PKB) : -14.35 2D Compatibility (Sec. Struct. Predict.) : 0.62 1D Compatibility (Hydrophobicity) : 0.65 QMean score : 0.252

(partial model without unconserved sides chains): PDB file : Tito_2VQM.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2vqm-query.scw PDB file : Tito_Scwrl_2VQM.pdb: