Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLDKKIIKIFKDKLNEKVIKITDSSNGLAQIVKIVETKNKKYVFKNPKPGDGIMIYRENFVCSNLKSKF--IPKV-----FFKTKNYLIESFLEGTR----PERNKPEIF--YYSLGKNIRKIHKVKMTGFGELQKNGKGQYKTAKQYIDNLIIENFPKFKNI--KSFDKKILKYLEKFIYENINCFDEKNSFLLHFDLIPDNILMQDNKLAGIIDFGDANCGPVEYDFGKLYLEISDKMFTKVLEGYGKKLEMKKIQYFVVLHLLCILPYFYKVNRKRYEKSVKLLRKFSKF 3W0R Chain:A ((40-233)) -----------------------------------DVGGRGYVLRVNSCADGF--YKDRYVYRHFASAALPIPEVLDIGEFSESLTYCISRRAQGVTLQDLPETELPAVLQPVAEVMDAIAAADLSQTSGFGPFGPQGIGQYTTWRDFICAIADPHVYHWQTVMDDTVSASVAQALDELMLWAEDCPEVRH--LVHADFGSANVLTDNGRITAVIDWSEAMFGDPLYEVANIF------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3W0R.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 : 634 11329 17.87 63.29 target 2D structure prediction score : 0.44 Monomeric hydrophicity matching model chain A : 0.65 3D Compatibility (PKB) : 17.87 2D Compatibility (Sec. Struct. Predict.) : 0.44 1D Compatibility (Hydrophobicity) : 0.65 QMean score : 0.231

(partial model without unconserved sides chains): PDB file : Tito_3W0R.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3w0r-query.scw PDB file : Tito_Scwrl_3W0R.pdb: