Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTELQDIDFVELSDEEMHLYSRQILLDGWDIEAQEKLKLANVLIVGAGGIGCSSAELLARAGVGKITLIDADTIEISNLQRQIAFGHEDIGRYKAEVLAKRLQKINPYICVEYFNERLDEH-NID-----------KLVEHQDVVLDGCDNFTTRYLVNAACKKHQVALISASAIGF--QAQMFMVEG-DSACYECLFPKEQHANEG---LRCAESGVLATTPVMIASLQAHHTLLYLGLNRTPLKQKLLLWDGLNMTQRIVSFDKDINC--PFCQAS 5IAA Chain:A ((12-264)) ---------------------------------YEKIRTFAVAIVGVGGVGSVTAEMLTRCGIGKLLLFDYDKVELAN---LF-FQPHQAGLSKVQAAEHTLRNINPDVLFEVHNYNITTVENFQHFMDRISNGGLEEGKPVDLVLSCVDNFEARMTINTACNELGQTWMESGVSENAVSGHIQLIIPGESACFACAPPLVVAANIDEKT----CAASLPTTMGVVAGILVQNVLKFLLNFGTV--SFYLGYNAMQDFFPTMSMKPNPQCDDRNCRK-

General information: TITO was launched using: RESULT: Template: 5IAA.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 : 1115 -111739 -100.21 -522.14 target 2D structure prediction score : 0.59 Monomeric hydrophicity matching model chain A : 0.70 3D Compatibility (PKB) : -100.21 2D Compatibility (Sec. Struct. Predict.) : 0.59 1D Compatibility (Hydrophobicity) : 0.70 QMean score : 0.408

(partial model without unconserved sides chains): PDB file : Tito_5IAA.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5IAA-query.scw PDB file : Tito_Scwrl_5IAA.pdb: