Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence METSQEPLVTQKKSKPSVWRSMSLFLVPLLLSNVLQSVGQLVGMMAVGRWLGVDAVAAVSSFFPLFFLLISFTIGIGSGSSILIGQAYGAKNEERLKAVVGTTLTFTFLLGVVLAVIGSIFTLDILRLMGTPENVIHVSANYARILFYAMPFMFLYFAYTTFLRGTGDSKTPFYTLIVSTVINIALLPVLILGMFGFPKLGIYGSAYATVISTIATFLVLMVYLR-KRKHPLQFDKTVRRYLKMDKELLVLLLRLGVPASINMILVSLSEIAVISFVNHY-GSNATAAYGVVNQVASYVQMPAVSLGIAVSIFAAQSIGANEFDRLKQVIRVGIWLNYIIGGVLIILIYVFSHQILSLFLTEQETL---YIAHRLLMITLWSYLLFGNAQIISATMRASGTVLWPTVISIFAIWGVEVPVAFVLSHYTKLEILGVWVGYPAAFAVSLLLIYGYYQFVWKKKQITRLIQ 3W4T Chain:A ((14-444)) ---------------GDPKKAIVRLSIAMMIGMSVQTLYNLADGIWVSG-LGPESLAAVGLFFPVFMGIIALAAGLGVGTSSAIARRIGARDKEGADNVAVHSLILSLILGVTITITMLPAIDSLFRSMGAKGEAVELAIEYARVLLAGAFIIVFNNVGNGILRGEGDANRAMLAMVLGSGLNIVLDPIFIYT----LGFGVVGAAYATLLSMVVTSLFIAYWLFVKRDTYVDITL---RDFSPSREILKDILRVGLPSSLSQLSMSIAMFFLNSVAITAGGENGVAVFTSAWRITMLGIVPILGMAAATTSVTGAAYGERNVEKLETAYLYAIKIAFMIELAVVAFIMLFAPQVAYLFTY-----VIKGDLISALRTLPVFLVLTPFGMMTSAMFQGIGEGEKSLILTIFRTLVMQVGFAYIFVHYTTLGLRGVWIGIVIGNMVAAIVGFLWG--------------

General information: TITO was launched using: RESULT: Template: 3W4T.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 : 2165 -345419 -159.55 -820.47 target 2D structure prediction score : 0.68 Monomeric hydrophicity matching model chain A : 0.76 3D Compatibility (PKB) : -159.55 2D Compatibility (Sec. Struct. Predict.) : 0.68 1D Compatibility (Hydrophobicity) : 0.76 QMean score : 0.424

(partial model without unconserved sides chains): PDB file : Tito_3W4T.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3W4T-query.scw PDB file : Tito_Scwrl_3W4T.pdb: