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 3VVP Chain:A ((25-451)) --------------------------IPMMIGMSVQTLYNL----ADGIWVSGLGPESLAAVGLFFPVFMGIIALAAGLGVGTSSAIARRIGARDKEGADNVAVHSLILSLILGVTITITMLPAIDSLF-----R-------AVELAIEYARVLLAGAFIIVFNNVGNGILRGEGDANRAMLAMVLGSGLNIVLDPIFIY-TLGF---GVVGAAYATLLSMVVTSLFIAYWLFVKRDT-YVDI---DF-SPSREILKDILRVGLPSSLSQLSMSIAMFFLNSVAITAGGENGVAVFTSAWRITMLGIVPILGMAAATTSVTGAAYGERNVEKLETAYLYAIKIAFMIELAVVAFIML--------------------DLISALRTLPVFLVLTPFG--MMTSAMFQGIGEGEKSLILTIFRTLVMQVGFAYIFVHYTTLGLRGVWIGIVIGNMVAAIV-----GFLWGRMRISAL--

General information: TITO was launched using: RESULT: Template: 3VVP.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 : 1959 -245697 -125.42 -641.51 target 2D structure prediction score : 0.61 Monomeric hydrophicity matching model chain A : 0.74 3D Compatibility (PKB) : -125.42 2D Compatibility (Sec. Struct. Predict.) : 0.61 1D Compatibility (Hydrophobicity) : 0.74 QMean score : 0.382

(partial model without unconserved sides chains): PDB file : Tito_3VVP.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3VVP-query.scw PDB file : Tito_Scwrl_3VVP.pdb: