Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNPKYKPLFEPFTFKSGVTINNRIAVAPMTHYASN-EDGTISEAELDYIIPRS-KEMGMVITACANVTPDGKAFPGQPAIHDDSNIPGLKKLAQAIQAQGAKAVVQIHHGGIECPSELVPQQDVVGPSDVFDN-GKQIARALTEEEVENIVKAFGEATRRAIEAGFDGVEIHGANGYLIQQFYSPKTNQRTDRWGGSDEKRLAFPLAIVDEVKKAASEHAKGAFLVGYRLSPEEPETPGLTMTETYTLVDALGDKELDYLHISLMDVNSKA-RRGADPTRTRMDLLNERVGNKVPLIAVGSIHSADDALAVIENG-IPLVAMGREILVDPNWTVKVKEGREKQIETVIKGTDKEKYHLPEPLWQAIVNTQGWVPYKD 3GR7 Chain:A ((1-329)) ---MNTMLFSPYTIR-GLTLKNRIVMSPMCMYSCDTKDGAVRTWHKIHYPARAVGQVGLIIVEATGVTPQGRISERDLGIWSDDHIAGLRELVGLVKEHGAAIGIQLAHAGRKSQVPG----EIIAPSAVPFDDSSPTPKEMTKADIEETVQAFQNGARRAKEAGFDVIEIHAAHGYLINEFLSPLSNRRQDEYGGSPENRYRFLGEVIDAVREVW------DGPLFVRISASDYHPDGLTAKDYVPYAKRMKEQGVDLVDVSSGAIVPARMNVYPGYQVPFAELIRREA--DIPTGAVGLITSGWQAEEILQNGRADLVFLGRELLRNPYWPYAAARELGAKIS--------------------------------

General information: TITO was launched using: RESULT: Template: 3GR7.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 : 2028 25944 12.79 80.07 target 2D structure prediction score : 0.66 Monomeric hydrophicity matching model chain A : 0.77 3D Compatibility (PKB) : 12.79 2D Compatibility (Sec. Struct. Predict.) : 0.66 1D Compatibility (Hydrophobicity) : 0.77 QMean score : 0.638

(partial model without unconserved sides chains): PDB file : Tito_3GR7.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3GR7-query.scw PDB file : Tito_Scwrl_3GR7.pdb: