Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MPVVHAFRASQSGLDAGAMKRSSDSHSPPFFFLSSACLAYRTSPMPSPRFARPELNGIITVRRFQRPQLETEAPIRKGDLKEPLEAVAGRVGLRARCSTSAPSADLCLVDDHELVLMGKLVDKGVYYITGGVCIDAEGSDTSSQSPTAALVSSTACGAAPQPPDITVGWCFDARMLLHRSD---MNRSPETPHRLQRAIETLQGCERALDVLPVELLAPFTVHKDSSSGSDLGRAVPPISAANRSQWIPARLATYDEVCSFQDPQVYEHFLKSGAA---LV--------------------NLKSDVYCNDETSSVAVRLSAGAVIDASVAALRGVAASRSGTASSAAGRVHPLVSFCLVRPPGHHCTASQPSGFCLVNNVAIAVQQLRIRHASALPSGPPRIAILDLDVHFGEGTASFVEGACDPASLLYLSLHRYDKRQFYPFDGRGDTAYVGGSRHAASKGSICNVAVHTNGQQPARCEQVISDHLMNSVLEEIFLPRLAEFGPDLVMVSLGFDAAYGD--PLGKMAVE-GGFASVLSRLKWWCLHDGRTAGLVVVLEGGYNPEAVAQGVLSVALALSLPRTDPLLQR-FLEEKSPKVWSDLRQRQERRHREWQQLREERAEEDVGAAPSGLGSELKPAASDEPEQVQEDALLLDRHKRWCAALVAKVQQIHREAMTRER 2VQJ Chain:A ((6-389)) ------------------------------------------------------------------------------------------------------------------------------------------------------------------PRFTTGLVYDTLMLKHQCTCGSSSSHPEHAGRIQSIWSRLQETGL----------------------------------RGKCECIRGRKATLEELQTVHSEAHTLLYGTNPLNRQKLDSKKLLGSLASVFVRLPCGGVGVDSDTIWNEVHSAGAARLAVGCVVELVFKVATG----------------ELKNGFAVVRPPGHHAEESTPMGFCYFNSVAVAAKLLQQRL------SVSKILIVDWDVHHGNGTQQAFYSDPS---VLYMSLHRYDDGNFFPG--SGAPDEVGTG---PGVGFNVNMAFTGGL------DPPMGDAEYLAAFRTVVMPIASEFAPDVVLVSSGFDAVEGHPTPLGGYNLSARCFGYLTKQLMGLA--G---GRIVLALEGGHDLTAICDASEACVSALLGNELDPLPEKVLQQRPNANAVRSMEKVMEIHSKYWRCLQR--------------------------------------------------------------

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 : 2147 -42017 -19.57 -118.69 target 2D structure prediction score : 0.58 Monomeric hydrophicity matching model chain A : 0.65 3D Compatibility (PKB) : -19.57 2D Compatibility (Sec. Struct. Predict.) : 0.58 1D Compatibility (Hydrophobicity) : 0.65 QMean score : 0.462

(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: