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 4A8T Chain:A ((25-331)) -----------RDYVTTETYTKEEMHYLVDLSLKIKEAIKNGYYPQLLKNKSLGMIFQQSSTRTRVSFETAMEQLGGHGEYLAPG-IQLGGHETIEDTSRVLSRLVDILMARVERHHSIVDLANCATIPVINGMSDYNHPTQELGDLCTMVEHLPEGKKLEDCKVVFVGDATQVCFSLGLITTKMGMNFVHFGPEGFQLNEEHQAKLAKNCEV-SGGSFLVTDDA-SSVEGADFLYTDVWYGLYEAELSEEERMKVFYPKYQVNQEMMDRAGANCKFMHCLPATRGEEVTDEVIDGKNSICFDEAENRLTSIRGLLVYLM---------

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 : 1696 -181136 -106.80 -611.95 target 2D structure prediction score : 0.72 Monomeric hydrophicity matching model chain A : 0.82 3D Compatibility (PKB) : -106.80 2D Compatibility (Sec. Struct. Predict.) : 0.72 1D Compatibility (Hydrophobicity) : 0.82 QMean score : 0.530

(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: