Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTITFQDFNLSSDLMKAINRMGFEEATPIQAQTIPLGLSNKD--VIGQAQTGTGKTAAFGIPLVEK-INPESPN---IQAIVIAPTRELAIQVSEELYKIGQD----KRAKVLPIYGGQDIGRQIRALKK-NPNIIVGTPGRLLDHINRRTIRLNN-VNTVVMDEADEMLNMGFIDDIESILSNVPSEH--------QTLLFSATMPAPIKRIAERFMT-------------EPEHVKVKAKEMTVSN--IQQFYLEVQERKKFDTLTRLLDIQSPELAIVFGRTKRRVDELAEALN---LRGYAAEGIHGDLTQAKRMVALRKFKEGAIEVLVATDVAARGLDISGVTHVYNFDVPQDPESYVHRIGRTGRAGKTGMAMTFITPREKSMLRAIEQTTKRKMDRMKEPTLDEALEGQQQVTVERLRTTISENNLNFYMTAAAELLEDHDAVTVVAAAIKMATKEPDDTPVRLTDEAPMVSKRYKNQRSSKRRDGQGGGYRGGKGKSNNRSSYDKKRSNDRRSSGDRRQKKSY 3I61 Chain:A ((79-458)) ---------LDKEIHKAITRMEFPGLTPVQQKTIKPILSSEDHDVIARAKTGTGKTFAFLIPIFQHLINTKFDSQYMVKAVIVAPTRDLALQIEAEVKKIHDMNYGLKKYACVSLVGGTDFRAAMNKMNKLRPNIVIATPGRLIDVLEKYSNKFFRFVDYKVLDEADRLLEIGFRDDLETI-SGILNEKNSKSADNIKTLLFSATLDDKVQKLANNIMNKKECLFLDTVDKNEPEAHERIDQSVVISEKFANSIFAAVEHIKK-----QIKERDSNYKAIIFAPTVKFTSFLCSILKNEFKKDLPILEFHGKITQNKRTSLVKRFKKDESGILVCTDVGARGMDFPNVHEVLQIGVPSELANYIHRIGRTARSGKEGSSVLFICKDELPFVRELE-----------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3I61.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 : 1836 -191288 -104.19 -559.32 target 2D structure prediction score : 0.73 Monomeric hydrophicity matching model chain A : 0.75 3D Compatibility (PKB) : -104.19 2D Compatibility (Sec. Struct. Predict.) : 0.73 1D Compatibility (Hydrophobicity) : 0.75 QMean score : 0.486

(partial model without unconserved sides chains): PDB file : Tito_3I61.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3I61-query.scw PDB file : Tito_Scwrl_3I61.pdb: