Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSEEKIYDVIIIGAGPAGMTAAVYTSRANLSTLMIERGIPGGQMANTEDVENYPGFESILGPELSNKMFEHAKKFGAEYAYGDIKEVID--GKEYKVVKAGSKEYKARAVIIAAGAEYKKIGVPGEKELGGRGVSYCAVCDGAFFKGKELVVVGGGDSAVEEGVYLTRFASKVTIVHRRDKLRAQSILQARAFDNEKVDFLWNKTVKEIHEENGKVGNVTLVDTVTGEESEFKTDGVFIYIGMLPLSKPFENLGI-TNEEGYIETNDRMETKVEGIFAAGDIREKSL--RQIVTATGDGSIAAQSVQHYVEELQETLKTLK 3F8D Chain:B ((16-318)) ------FDVIIVGLGPAAYGAALYSARYMLKTLVIGE-TPGGQLTEAGIVDDYLGLIEIQASDMIKVFNKHIEKYEVPVLL-DIVEKIENR-DEFVVKTKRKGEFKADSVILGIGVKRRKLGVPGEQEFAGRGISYCSVADAPLFKNRVVAVIGGGDSALEGAEILSSYSTKVYLIHRRDTFKAQPIYVETVKKKPNVEFVLNSVVKEIKGDK-VVKQVVVENLKTGEIKELNVNGVFIEIGFDPPTDFAKSNGIETDTNGYIKVDEWMRTSVPGVFAAGDCTSAWLGFRQVITAVAQGAVAATSAYRYVTE---------

General information: TITO was launched using: RESULT: Template: 3F8D.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 1797 -19295 -10.74 -64.97 target 2D structure prediction score : 0.57 Monomeric hydrophicity matching model chain B : 0.81 3D Compatibility (PKB) : -10.74 2D Compatibility (Sec. Struct. Predict.) : 0.57 1D Compatibility (Hydrophobicity) : 0.81 QMean score : 0.455

(partial model without unconserved sides chains): PDB file : Tito_3F8D.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3F8D-query.scw PDB file : Tito_Scwrl_3F8D.pdb: