Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTIIYKRWLFMKKVLVVDDEKPISDIVKFNLAKEGYDVYTAYDGEEALEKVAEVEPDLILLDLMLPKMDGLEVAREVRK-TYDMPIIMVTAKDSEIDKVLGLELGADDYVTKPFSNRELVARVKANLRRGATAAKEPEEAAPAELTIGDLTIHPEAYMVTKRGETIELTHREFELLFYLAKHLGQVMTREHLLQTVWGYDYFGDVRTVDVTVRRLREKIEDNPSHPNYLVTRRGVGYYLRNPEQE 1KGS Chain:A ((2-224)) ----------NVRVLVVEDERDLADLITEALKKEMFTVDVCYDGEEGMYMALNEPFDVVILDIMLPVHDGWEILKSMRESGVNTPVLMLTALSDVEYRVKGLNMGADDYLPKPFDLRELIARVRALIRRKSESKSTK-------LVCGDLILDTATKKAYRGSKEIDLTKKEYQILEYLVMNKNRVVTKEELQEHLW-----VFSDVLRSHIKNLRKKVDKGF-KKKIIHTVRGIGYVARD----

General information: TITO was launched using: RESULT: Template: 1KGS.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 : 1005 -48476 -48.23 -223.39 target 2D structure prediction score : 0.68 Monomeric hydrophicity matching model chain A : 0.75 3D Compatibility (PKB) : -48.23 2D Compatibility (Sec. Struct. Predict.) : 0.68 1D Compatibility (Hydrophobicity) : 0.75 QMean score : 0.647

(partial model without unconserved sides chains): PDB file : Tito_1KGS.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1KGS-query.scw PDB file : Tito_Scwrl_1KGS.pdb: