Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MHTVTQTSLYGKDLLTLKDLSEEDINALLAEAGELKQ---NKIQP-IFHGKTLAMIFEKSSTRTRVSFEAGMAQLGGSALFLSQKDLQLGRGETVADTAKVLSGYVDAIMIRTFEHEKVEELAKEADIPVINGLTDKYHPCQALADLLTIKEI---KGKLKGVKVAYIGDGNNVAHSLMIGCAKMGCDISIASPKGYEVLDE-AAEAAKTYALQSGSSVTLTDDPIEAVKDADVIYSDVFTSMGQ-EAEEQERLAVFAP-YQVNAALVSHAKPDYTFLHCLPAHREEEVTAEIIDGPNSAVFQQAENRLHVQKALLKAILYKGESSKNC 4A8H Chain:A ((3-309)) -----------RDYVTTETYTKEEMHYLVDLSLKIKEAIKNGYYPQLLKNKSLGMIFQQSSTRTRVSFETAMEQLGGHGEYLAPGQIQLGGHETIEDTSRVLSRLVDILMARVERHHSIVDLANCATIPVINGMSDYNHPTQELGDLCTMVEHLPEGKKLEDCKVVFVGDATQVCFSLGLITTKMGMNFVHFGPEGFQLNEEHQAKLAKNCEV-SGGSFLVTDDA-SSVEGADFLYTDVWYGLYEAELSEEERMKVFYPKYQVNQEMMDRAGANCKFMHCLPATRGEEVTDEVIDGKNSICFDEAENRLTSIRGLLVYLM---------

General information: TITO was launched using: RESULT: Template: 4A8H.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 : 1685 -178133 -105.72 -599.77 target 2D structure prediction score : 0.71 Monomeric hydrophicity matching model chain A : 0.82 3D Compatibility (PKB) : -105.72 2D Compatibility (Sec. Struct. Predict.) : 0.71 1D Compatibility (Hydrophobicity) : 0.82 QMean score : 0.555

(partial model without unconserved sides chains): PDB file : Tito_4A8H.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4A8H-query.scw PDB file : Tito_Scwrl_4A8H.pdb: