Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKKKQVSHAIIISVMLSFVIAVFHTIHASELTPLAQMAEGMERQDVSIDKWTLHAKQNLSLTEKEFYQKVQRLKQEYRQYDWVIAREDKMIKAIGTYTDKKNRTSFRLQLVTTLKKHNPTSYLLYEQMSLETPDSWNDTYEQFERETLGIFQEKVVIFTCLNGHLDDNMNIVL-QKKANQLLNEFQARSVEHV-VEPNF---------VSISAFTDEWEEYIMTSKHKMNLQIALRSAGMG----GKHTVTVGTPIVTTEY 2IX3 Chain:A ((391-477)) -------------------------------------------------------------------------------------------------------------------------------------------------------------------HITPYMTIFLHEKKAKDILDEFRKRAVDNIPVGPNFDDEEDEGEDLCNCEFSLAYGAKILLNKTQLRLKRARRYGICGPNGCGKSTL-----------

General information: TITO was launched using: RESULT: Template: 2IX3.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 : 113 2434 21.54 33.81 target 2D structure prediction score : 0.58 Monomeric hydrophicity matching model chain A : 0.61 3D Compatibility (PKB) : 21.54 2D Compatibility (Sec. Struct. Predict.) : 0.58 1D Compatibility (Hydrophobicity) : 0.61 QMean score : 0.117

(partial model without unconserved sides chains): PDB file : Tito_2IX3.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2IX3-query.scw PDB file : Tito_Scwrl_2IX3.pdb: