Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLGGIEAGGTKFVCAVGREDGTIIDRIEFPTK--MPDETIEKVIQYFSQ-----FSLQAIGIGSFGPVDNDKTSQTYGTITATPKAGWRHYPFLQTVKNEMKIPVGFSTDVNAAALGEFLFGEAKGLDSCLYITIGTGIGAGAIVEGRLLQGLSH--PEMGHIYIRRHPDDV----Y-QGKCPYHG-DCFEGLASGPAIEARWGKK------AADL--------SDIAQVWELEGYYIAQALAQYILILAPKKIILGGGVMQQKQVFSYIYQYVPKIMNSYLDFSELSDDISDYIVPPRLGSNAGIIGTLVLAHQALQAEAASGEVRS 4DB3 Chain:A ((25-326)) MYYGFDVGGTKIEFGAFNEKLERVATERVPTPTDDYPLLLETIAGLVAKYDQEFACEGKIGLGLPGMEDADD-----ATVLTVNVPAAKGKPLRADLEAKIGRSVKIENDANCFALSEAWDEELQDAPSVMGLILGTGFGGGLIYEGKVFSGRNNVAGELGHMRLPLDAWFHLGDNAPLLGCGCGKKGCLDSYLSGRGFELLYAHYYGEEKKAIDIIKANAAGDEKAAEHVERFMELLAICFGNIFTANDPHVVALGGGLSNFELIYEEMPKRVPKYLLSVAK--------CPKIIKAKHGDSGGVRGAAFLNIK-------------

General information: TITO was launched using: RESULT: Template: 4DB3.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 : 1515 -177024 -116.85 -648.44 target 2D structure prediction score : 0.56 Monomeric hydrophicity matching model chain A : 0.70 3D Compatibility (PKB) : -116.85 2D Compatibility (Sec. Struct. Predict.) : 0.56 1D Compatibility (Hydrophobicity) : 0.70 QMean score : 0.470

(partial model without unconserved sides chains): PDB file : Tito_4DB3.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4DB3-query.scw PDB file : Tito_Scwrl_4DB3.pdb: