Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLDKKIIKIFKDKLNEKVIKITDSSNGLAQIVKIVETKNKKYVFKNPKPGDGIMIYRENF----VCSNLKSKF-IPKVFFKTKNYLIESFLEGTR---------PERNKPEIFYYSLGKNIRKIHKVKM----TGFGELQKNGKGQYKTAKQYIDNLIIENFPKFKNIKSFDKKILKYLEKFIYENI---NCFDEKNSFLLHFDLIPDNILMQDNKLAGIIDFGDANCGPVEYDFGKLYLEISDKMFTKVLEGYGKKLEMKKIQYFVVLHLLCILPYFYKVNRKRYEKSVKLLRKFSKF 3HAV Chain:A ((36-245)) --------------------------------------NEQYVVKVPKRDSVRISQKREFELYRFLENCKLSYQIPAVVYQSDRFNIMKYIKGERITYEQYHKLSEKEK-DALAYDEATFLKELHSIEIDCSVSLFSDALVNKKDKFLQDKK----LLISILEKEQLLTD---EMLEHIET-IYENILNNAVLFKYTPCLVHNDFSANNMIFRNNRLFGVIDFGDFNVGDPDNDFLCL-LDCSTDDFGK---EFGRKV-----------------------------------------

General information: TITO was launched using: RESULT: Template: 3HAV.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 : 615 30714 49.94 165.13 target 2D structure prediction score : 0.47 Monomeric hydrophicity matching model chain A : 0.67 3D Compatibility (PKB) : 49.94 2D Compatibility (Sec. Struct. Predict.) : 0.47 1D Compatibility (Hydrophobicity) : 0.67 QMean score : 0.216

(partial model without unconserved sides chains): PDB file : Tito_3HAV.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3hav-query.scw PDB file : Tito_Scwrl_3HAV.pdb: