Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence ---------------------------------------------------------KQIAQLKEYLRNPP-------CKVTIYAPPLKQGQTQLRTVMGFASAGKNEDVPVKIASTGHTYQCRTDATCEEPVCHGLPNGWTYEGVY-------- 3MCR Chain:A ((59-212)) PAAAQRPYSDPSDPRTAYFDEVADALERSLKEIGTPYDTAISRVVVDRGEITFHVQREHLLDVATRLRDDPALRFELCLGVTGVHYPEDEGN-ELHAVYALRSITHNYEIRLEVSCPDSDPHIPSIVSVYPTNDWHEREAWDFFGIIFDGHPALT

General information: TITO was launched using: RESULT: Template: 3MCR.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 : 241 11824 49.06 144.19 target 2D structure prediction score : 0.61 Monomeric hydrophicity matching model chain A : 0.64 3D Compatibility (PKB) : 49.06 2D Compatibility (Sec. Struct. Predict.) : 0.61 1D Compatibility (Hydrophobicity) : 0.64 QMean score : 0.307

(partial model without unconserved sides chains): PDB file : Tito_3MCR.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3mcr-query.scw PDB file : Tito_Scwrl_3MCR.pdb: