Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSNIYQFEAELLVGDIKQFADYKGKVLLIVNTASKCGFTP-QFAGLEKLYEKYKDLGLEVLGFPCNQFGGQDPGSNKEIGTFCQRNYGVKFPMFAKVDVKGPEAHVIFRYLTRE--AKGILGSSTIKWNFTKFLVGKDGSVLNRYAPTTKPEALEADIEKALAS 2GS3 Chain:A ((28-181)) --SMHEFSAKDIDGHMVNLDKYRGFVCIVTNVASQGGKTEVNYTQLVDLHARYAECGLRILAFPCNQFGKQEPGSNEEIKEFAA-GYNVKFDMFSKICVNGDDAHPLWKWMKIQPKGKGILGNA-IKWNFTKFLIDKNGCVVKRYGPMEEPLVIEKDL------

General information: TITO was launched using: RESULT: Template: 2GS3.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 : 767 -17868 -23.30 -118.33 target 2D structure prediction score : 0.56 Monomeric hydrophicity matching model chain A : 0.82 3D Compatibility (PKB) : -23.30 2D Compatibility (Sec. Struct. Predict.) : 0.56 1D Compatibility (Hydrophobicity) : 0.82 QMean score : 0.512

(partial model without unconserved sides chains): PDB file : Tito_2GS3.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2GS3-query.scw PDB file : Tito_Scwrl_2GS3.pdb: