Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKGMKYHDYIWDLGGTLLDNYETSTAAFVETLALYG---ITQDHDSVYQALKVSTPFAIETF---APNLENFLEKY-KENEARELEHPILFEGVSDLLEDILNQGGRHFLVSHRND-QVLEILEKTSIAAYFTEVVTSSSGFKRKPNPESMLYL--REKYQISSGLVIGDRPIDIEAGQAAGLDTHLFTSIVNLRQVLDI 3D6J Chain:A ((5-183)) ----KYTVYLFDFDYTLADSSRGIVTCFRSVLERHGYTGITDDMIKRTIGKTLEESFSILTGITDADQLESFRQEYSKEADIYMNANTILFPDTLPTLTHLKKQGIRIGIISTKYRFRILSFLRNHMPDDWFDIIIGGEDVTHHKPDPEGLLLAIDRLKACPEEVLYIGDSTVDAGTAAAAGV-----------------

General information: TITO was launched using: RESULT: Template: 3D6J.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 : 780 -13895 -17.81 -82.22 target 2D structure prediction score : 0.54 Monomeric hydrophicity matching model chain A : 0.68 3D Compatibility (PKB) : -17.81 2D Compatibility (Sec. Struct. Predict.) : 0.54 1D Compatibility (Hydrophobicity) : 0.68 QMean score : 0.317

(partial model without unconserved sides chains): PDB file : Tito_3D6J.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3D6J-query.scw PDB file : Tito_Scwrl_3D6J.pdb: