Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MYKILLADDERIILDGMAGIIEWESLGASLIGKAQNGHEAYEKIVHKQPHIVITDVKMPGMDGLELIKKVSAVSPSVQFIVLSGFGEFEYAKEAMKYGVKHYLLKPCNEQQIISSLEEIIAELKRQDVHKKKTAHLKHELDHIRSFAADQYLEGLIAGVAQLSPPPSLAGKKIRLLILKGEQSIDAAAREALGSALTAVCSSGEWTVLAVEENAAEKVAEVFADRKMAISQAGELRHAGQLFRDTAEASGDLHGSAVISKMIRLIADELGNPNLSLKWAAKDMLFMNPDYLGKLFKQETGEKFSQYVTRVRLEHAMKQMKIRRDVSVSEIAEEIGFGDNPKYFSLVFKKYTGLTPSEFRRKQGGASAG 4LE2 Chain:A ((5-121)) MISIFIAEDQQMLLGALGSLLNLED-DMEVVGKGTTGQDAVDFVKKRQPDVCIMDIEMPGKTGLEAAEELK--DTGCKIIILTTFARPGYFQRAIKAGVKGYLLKDSPSEELANAIRSVM--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4LE2.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 : 604 -80114 -132.64 -684.73 target 2D structure prediction score : 0.68 Monomeric hydrophicity matching model chain A : 0.63 3D Compatibility (PKB) : -132.64 2D Compatibility (Sec. Struct. Predict.) : 0.68 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.657

(partial model without unconserved sides chains): PDB file : Tito_4LE2.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4LE2-query.scw PDB file : Tito_Scwrl_4LE2.pdb: