Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKKKQVSHAIIISVMLSFVIAVFHTIHASELTPLAQMAEGMERQDVSIDKWTLHAKQNLSLTEKEFYQKVQRLKQEYRQYDWVIAREDKMIKAIGTYTDKKNRTSFRLQLVTTLKKHNPTSYLLYEQMSLETPDSWNDTYEQFERETLGIFQEKVVIFTCLNGHLDDNMNIVLQKKANQLLNEFQARSVEHVVEPNFVSISAFTDEWEEYIMTSKHKMNLQIALRSAGMGGKHTVTVGTPIVTTEY 1NRN Chain:R ((1-19)) --------------------------------------------------------------------------------------------------------------------LDPRSFLLRNPNDKYEPFW---------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 1NRN.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain R - contact count / total energy / energy per contact / energy per residue : 21 624 29.71 32.84 target 2D structure prediction score : 0.42 Monomeric hydrophicity matching model chain R : 0.52 3D Compatibility (PKB) : 29.71 2D Compatibility (Sec. Struct. Predict.) : 0.42 1D Compatibility (Hydrophobicity) : 0.52 QMean score : 0.381

(partial model without unconserved sides chains): PDB file : Tito_1NRN.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1NRN-query.scw PDB file : Tito_Scwrl_1NRN.pdb: