Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLGGIEAGGTKFVCAVGREDGTIIDRIEFPTKMPD-----ETIEKVI-QYFSQFSLQA-IGIGSFGPVDNDKTSQTYGTITATPKAGWRHYPFLQTVKNEMKIPVGFSTDVNAAALGEFLFGEAKGLDSCLYITIGTGIGAGAIVEGRLLQGLSH--PEMGHIYIRRHPDDVY---QGKCPYHG------DCFEGLASGPAIEARWG------KKAADLSDIAQVWELEGYYIAQALAQYILILA-----------PKKIILGGGVMQQKQVFSYIYQYVPKIMNSYLDFSELSDDISDYIVPPRLGSNAGIIGTLVLAHQALQAEAASGEVRS 4DB3 Chain:A ((25-323)) MYYGFDVGGTKIEFGAFNEKLERVATERVPTPTDDYPLLLETIAGLVAKYDQEFACEGKIGLGLPGMEDADDATVLTVNVPAA-----KGKPLRADLEAKIGRSVKIENDANCFALSEAWDEELQDAPSVMGLILGTGFGGGLIYEGKVFSGRNNVAGELGHM---RLPLDAWFHLGDNAPLLGCGCGKKGCLDSYLSGRGFELLYAHYYGEEKKAIDIIKANAAGDEKA---AEHVERFMELLAICFGNIFTANDPHVVALGGGLSN----FELIYEEMPKRVPKYL----LSVAKCPKIIKAKHGDSGGVRGAAFL----------------

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 : 1368 -153521 -112.22 -581.52 target 2D structure prediction score : 0.55 Monomeric hydrophicity matching model chain A : 0.71 3D Compatibility (PKB) : -112.22 2D Compatibility (Sec. Struct. Predict.) : 0.55 1D Compatibility (Hydrophobicity) : 0.71 QMean score : 0.453

(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: