Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MHTVTQTSLYGKDLLTLKDLSEEDINALLAEAGELKQNK----IQPIFHGKTLAMIFEKSSTRTRVSFEAGMAQLGGSALFLSQKDLQLGRGETVADTAKVLSGYVDAIMIRTFEHEKVEELAKEADIPVINGLTDKYHPCQALADLLTIKEIKG---KLKGVKVAYIGD-GNNVAHSLMIGCAKMGCDISIASPKGYEVLDEAAEAAKTYALQSGSSVTLTDDPIEAVKDADVIYSDVFTSMGQEA-EE-QERLAVFAPYQVNAALVSHAKPDYTFLHCLPAHREEEVTAEIIDGPNSAVFQQAENRLHVQKALLKAILYKGESSKNC 4A8T Chain:A ((22-337)) --------SMKRDYVTTETYTKEEMHYLVDLSLKIKEAIKNGYYPQLLKNKSLGMIFQQSSTRTRVSFETAMEQLGGHGEYLAPG-IQLGGHETIEDTSRVLSRLVDILMARVERHHSIVDLANCATIPVINGMSDYNHPTQELGDLCTMVEHLPEGKKLEDCKVVFVGDAT-QVCFSLGLITTKMGMNFVHFGPEGFQLNEEHQAKLAKNCEVSGGSFLVTDDA-SSVEGADFLYTDVWYGLYEAELSEEERMKVFYPKYQVNQEMMDRAGANCKFMHCLPATRGEEVTDEVIDGKNSICFDEAENRLTSIRGLLVYLMNDYEAK---

General information: TITO was launched using: RESULT: Template: 4A8T.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 : 1751 -174110 -99.43 -570.85 target 2D structure prediction score : 0.73 Monomeric hydrophicity matching model chain A : 0.80 3D Compatibility (PKB) : -99.43 2D Compatibility (Sec. Struct. Predict.) : 0.73 1D Compatibility (Hydrophobicity) : 0.80 QMean score : 0.564

(partial model without unconserved sides chains): PDB file : Tito_4A8T.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4A8T-query.scw PDB file : Tito_Scwrl_4A8T.pdb: