Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MMNSSTEQIISNSLSLRLKQ-ETAAEHERMHQLMSE---AKVFSSKEKYAQFTLSQYYFQLEIEHLFEKEGV--A----G---LI--PDLDIRGRSKQALADLNDLGIQPNGQ------Q----------LQSENVQLPEALGWIYVSEGSTLG-AAFLFKEAQKHLGFSETFAARNLAAYPEGRAKVWKRFVKALDEAGFDQTQQDRVVQGALDAFGYFGQALDQLDELK 3DDE Chain:B ((3-219)) ----------SIIDLTKLEQKVATMWDSILTNSPFIHEVLDGKATKALYAIYMTETYHYTKHNAKNQALVGIMGKDLPGKYLSFCFHHAHEEAGHELMALSDIASIGFDREDVLSSKPLPATETLIAYLYWISATGNPVQRLGYSYWAENVYGYIDP-VLKAIQSTLDL-TPQSMKFFIAHSKIDAKHAEEVNEMLHEVCKTQEDVDSVVAVMENSLVLTARILDDVWK--

General information: TITO was launched using: RESULT: Template: 3DDE.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 : 650 -7747 -11.92 -41.88 target 2D structure prediction score : 0.69 Monomeric hydrophicity matching model chain B : 0.61 3D Compatibility (PKB) : -11.92 2D Compatibility (Sec. Struct. Predict.) : 0.69 1D Compatibility (Hydrophobicity) : 0.61 QMean score : 0.427

(partial model without unconserved sides chains): PDB file : Tito_3DDE.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3DDE-query.scw PDB file : Tito_Scwrl_3DDE.pdb: