Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence -----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------VRICSLALGKIINGEVTEYLEDTLQQLPGPAGNVVLEYEDFSIQLSLTKN--CWPKLKRGSVVPKGYSLHVYSPTIEGHAATSAVLEGDDRLMLPGFDPLKMRVQFYEWLVGLSWKPLKKGP----------------------------------------------------------------------------------------------------- 2QUB Chain:A ((1-615)) SHMGIFSYKDLDENASKALFSDALAISTYAYHNIDNGFDEGYHQTGFGLGLPLTLITALIGSTQSQGGLPGLPWNPDSEQAAQEAVNNAGWSVISATQLGYAGKTDARGTYYGETAGYTTAQAEVLGKYDSEGNLTAIGISFRGTSGPRESLIGDTIGDVINDLLAGFGPKGYADGYTLKAFGNLLGDVAKFAQAHGLSGEDVVVSGHSLGGLAVNSMAAQSDANWGGFYAQSNYVAFASPTQYEAGGKVINIGYENDPVFRALDGTSLTLPSLGVHDAPHTSATNNIVNFNDHYASDAWNLLPFSILNIPTWLSHLPFFYQDGLMRVLNSEFYSLTDKDSTIIVSNLSNVTRGNTWVEDLNRNAETHSGPTFIIGSDGNDLIKGGKGNDYLEGRDGDDIFRDAGGYNLIAGGKGHNIFDTQQALKNTEVAYDGNTLYLRD--------AKGGITLADDISTLRSKETSWLIFNKEVDHQVTAAG--LKSDSGLKAYAAATGG--DGDDVLQARSHDA---------WLFG------NAGNDTLIGHAGGNLTFVGGSGDDILKGVGNGNTFLFSGDFGRDQLYGFNASDKLVFIGTEGASGNIRDYATQQNDDLVLAFGHSQVTLIGVSLDHISTDQVVLA

General information: TITO was launched using: RESULT: Template: 2QUB.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 : 266 9525 35.81 102.41 target 2D structure prediction score : 0.46 Monomeric hydrophicity matching model chain A : 0.51 3D Compatibility (PKB) : 35.81 2D Compatibility (Sec. Struct. Predict.) : 0.46 1D Compatibility (Hydrophobicity) : 0.51 QMean score : 0.192

(partial model without unconserved sides chains): PDB file : Tito_2QUB.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2QUB-query.scw PDB file : Tito_Scwrl_2QUB.pdb: