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 3VVS Chain:A ((25-451)) --------------------------IPMMIGMSVQTLYNL----ADGIWVSGLGPESLAAVGLFFPVFMGIIALAAGLGVGTSSAIARRIGARDKEGADNVAVHSLILSLILGVTITITMLPAIDSLF-----RSMGAKGEAVELAIEYARVLLAGAFIIVFNNVGNGILRGEGDANRAMLAMVLGSGLNIVLDPIFIY-TLGF---GVVGAAYATLLSMVVTSLFIAYWLFVKRDT-YVDITLRDF-SPSREILKDILRVGLPSSLSQLSMSIAMFFLNSVAITAGGENGVAVFTSAWRITMLGIVPILGMAAATTSVTGAAYGERNVEKLETAYLYAIKIAFMIELAVVAFIMLFAPQVAYLFT-------IKGDLISALRTLPVFLVLTPFG--MMTSAMFQGIGEGEKSLILTIFRTLVMQVGFAYIFVHYTTLGLRGVWIGIVIGNMVAAIV-----GFLWGRMRISAL--

General information: TITO was launched using: RESULT: Template: 3VVS.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 : 2026 -237794 -117.37 -585.70 target 2D structure prediction score : 0.61 Monomeric hydrophicity matching model chain A : 0.76 3D Compatibility (PKB) : -117.37 2D Compatibility (Sec. Struct. Predict.) : 0.61 1D Compatibility (Hydrophobicity) : 0.76 QMean score : 0.382

(partial model without unconserved sides chains): PDB file : Tito_3VVS.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3VVS-query.scw PDB file : Tito_Scwrl_3VVS.pdb: