Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MASFEFIEDELNDGNGQARFTVFGVGGGGGNAVQHMVQSDIQGVKFVCANTDKQALDCMNAPFKIQLGEQSTRGLGAGANPEVGQVAAEESREIIRQHLEGTDMVFVTAGMGGGTGTGAAPVVAEVAKEMGILTVGVVTTPFNFEGRRRQKSAERGIEALEAHVDSLIIIPNQRLL-SVYGDISMKDAYKKADDVLLNAVRSIFDLVVNRGHINLD--FADLKTAMSTRGYAMMGAGLGRGEDRARQAAEQAIRSPLLDNVNIINAKGVLINITGGDDITLRETEIITDVVNQIVDLDEGEIFYGTVFD---PDARDELRVTVIATGLTRNAADAEPRTRNTVSHTSTQSVDEDDVPAINKRQNAENDVNNAPSSTPRSSPMSIQDYLKNQQRK 1W5F Chain:B ((23-326)) ------------------KIKVIGVGGAGNNAINRMIEIGIHGVEFVAVNTDLQVLEASNADVKIQIGENITRGLGAGGRPEIGEQAALESEEKIREVLQDTHMVFITAGFGGGTGTGASPVIAKIAKEMGILTVAIVTTPFYFEGPERLKKAIEGLKKLRKHVDTLIKISNNKLMEELPRDVKIKDAFLKADETLHQGVKGISELITKRGYIRLTSRFARIESVMKDAGAAILGIGVGKGEHRAREAAKKAMESKLIEH-PVENASSIVFNITAPSNIRMEEVHEAAMIIRQNSSED-ADVKFGLIFDDEVPD--DEIRVIFIAT--------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 1W5F.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 1530 -77557 -50.69 -260.26 target 2D structure prediction score : 0.75 Monomeric hydrophicity matching model chain B : 0.82 3D Compatibility (PKB) : -50.69 2D Compatibility (Sec. Struct. Predict.) : 0.75 1D Compatibility (Hydrophobicity) : 0.82 QMean score : 0.580

(partial model without unconserved sides chains): PDB file : Tito_1W5F.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1W5F-query.scw PDB file : Tito_Scwrl_1W5F.pdb: