Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNPKYKPLFEPFTFKSGVTINNRIAVAPMTHYASNEDGTISEAE--LDYIIPRSKEMG-MVITACANVTPDGKAFPGQPAIHDDSNIPGLKKLAQAIQAQGAKAVVQ-IHHGGIECPSELVPQ--QDVVGPSDVFDNGKQIARA---------LTEEEVENIVKAFGEATRRAIEAGFDGVEIHGANGYLIQQFYSPKTNQRTDRWGGSDEKRLAFPLAIVDEVKKAASEHAKGAFLVGYRLSPEEPETPGLTMTETYTLVDALGDKELDYLHISLMDVNSKARRGADPTRTRMDLLNERVGNKVPLIAVGSIHSADDALAVIENGIPLVAMGREILVDPNWTVKVKEGREKQIETVIKGTDKEKYHLPEPLWQAIVNTQGWVPYKD 4K8E Chain:A ((17-247)) -------LFKPIKIGNNELLH-RAVIPPLTRMRALHPGNIPNRDWAVEYYTQRAQRPGTMIITEGAFISPQAGGYDNAPGVWSEEQMVEWTKIFNAIHEKKSFVWVQLVVLGWAAFPDNLARDGLRYDSASDNVFMDAEQEAKAKKANNPQHSLTKDEIKQYIKEYVQAAKNSIAAGADGVEIHSANGYLLNQFLDPHSNTRTDEYGGSIENRARFTLEVVDALVEAIG-HEK----VGLRLSP-----------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4K8E.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 : 1147 33709 29.39 156.06 target 2D structure prediction score : 0.76 Monomeric hydrophicity matching model chain A : 0.70 3D Compatibility (PKB) : 29.39 2D Compatibility (Sec. Struct. Predict.) : 0.76 1D Compatibility (Hydrophobicity) : 0.70 QMean score : 0.532

(partial model without unconserved sides chains): PDB file : Tito_4K8E.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4K8E-query.scw PDB file : Tito_Scwrl_4K8E.pdb: