Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSNIYQFEAELLVGDIKQFADYKGKVLLIVNTASKCGFTP-QFAGLEKLYEKYKDLGLEVLGFPCNQFGGQDPGSNKEIGTFCQRNYGVKFPMFAKVDVKGPEAHVIFRYLTREAK-GILGSSTIKWNFTKFLVGKDGSVLNRYAPTTKPEALEADIEKALAS 2GS3 Chain:A ((27-184)) -RSMHEFSAKDIDGHMVNLDKYRGFVCIVTNVASQGGKTEVNYTQLVDLHARYAECGLRILAFPCNQFGKQEPGSNEEIKEF-AAGYNVKFDMFSKICVNGDDAHPLWKWMKIQPKGKGILGNAIKWNFTKFLIDKNGCVVKRYGPMEEPLVIEKDLPHY---

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 : 790 -13009 -16.47 -83.39 target 2D structure prediction score : 0.54 Monomeric hydrophicity matching model chain A : 0.80 3D Compatibility (PKB) : -16.47 2D Compatibility (Sec. Struct. Predict.) : 0.54 1D Compatibility (Hydrophobicity) : 0.80 QMean score : 0.488

(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: