Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence METSQEPLVTQKKSKPSVWRSMSLFLVPLLLSNVLQSVGQLVGMMAVGRW---LGVDAVAAVSSFFPLFFLLISFTIGIGSGSSILIGQAYGAKNEERLKAVVGTTLTFTFLLGVVLAV-----IGSIFTLDILRLMGTPENVIHVSANYARILFYAMPFMFLYFAYTTFLRGTGDSKTPFYTLIVSTVINIALLPVLILGMFGFPKLGIYGSAYATVISTIATFLVLMVYLRKRKHPLQFDKTVRRYLKMDKELLVLLLRLGVPASINMILVSLSEIAVISF-VNHYGSNATAAYGVVNQVASYVQMPAVSLGIAVSIFAAQSIGANEFDRLKQVIRVGIWLNYIIGGVLIILIYVFSHQILSLFLTEQETLYIAHRLL--MITLWSYLL---FGNAQIISATMRASGTVLWPTVISIFAIWGVEVPVAFVLSHYTKLEILGVWVGYPAAFAVSLLLIYGYYQFVWKKKQITRLIQ 3VVR Chain:A ((25-451)) --------------------------IPMMIGMSVQTLYNL----ADGIWVSGLGPESLAAVGLFFPVFMGIIALAAGLGVGTSSAIARRIGARDKEGADNVAVHSLILSLILGVTITITMLPAIDSLF-----RSMGAKGEAVELAIEYARVLLAGAFIIVFNNVGNGILRGEGDANRAMLAMVLGSGLNIVLDPIFIY-TLGF---GVVGAAYATLLSMVVTSLFIAYWLFVKRDT-YVDITLRDF-SPSREILKDILRVGLPSSLSQLSMSIAMFFLNSVAITAG-ENGVAVFTSAWRITMLGIVPILGMAAATTSVTGAAYGERNVEKLETAYLYAIKIAFMIELAVVAFIMLFAPQVAYLFTY------IKGDLISALRTLPVFLVLTPFG--MMTSAMFQGIGEGEKSLILTIFRTLVMQVGFAYIFVH----GLRGVWIGIVIGNMVAAIV-----GFLWGRMRISAL--

General information: TITO was launched using: RESULT: Template: 3VVR.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 : 2009 -221781 -110.39 -551.69 target 2D structure prediction score : 0.64 Monomeric hydrophicity matching model chain A : 0.75 3D Compatibility (PKB) : -110.39 2D Compatibility (Sec. Struct. Predict.) : 0.64 1D Compatibility (Hydrophobicity) : 0.75 QMean score : 0.383

(partial model without unconserved sides chains): PDB file : Tito_3VVR.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3VVR-query.scw PDB file : Tito_Scwrl_3VVR.pdb: