Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLAAIWAQDENGLIGKEDRLPWRLPNDLKFFKQMTEANTLVMGRKTFEGMGSRPLPNRQTIVLTRDSSYKAEGVHVMHSVEDVLALEKETDGIFFIAGGSAVYQEFLPFCTILYRTVIHHVFDGDAYFPPVDWSDWSLINTSQGEMDEKNRYPHQFETYQRNENPVKSGTGELTI 3LG4 Chain:A ((3-152)) -LSILVAHDLQRVIGFENQLPWHLPNDLKHYKKLSTGHTLVMGRKTFESIG-KPLPNRRNVVLTSDTSFNVEGVDVIHSIEDIYQLP----GHVFIIGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTF-------------------

General information: TITO was launched using: RESULT: Template: 3LG4.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 : 652 -108250 -166.03 -721.67 target 2D structure prediction score : 0.64 Monomeric hydrophicity matching model chain A : 0.84 3D Compatibility (PKB) : -166.03 2D Compatibility (Sec. Struct. Predict.) : 0.64 1D Compatibility (Hydrophobicity) : 0.84 QMean score : 0.544

(partial model without unconserved sides chains): PDB file : Tito_3LG4.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3LG4-query.scw PDB file : Tito_Scwrl_3LG4.pdb: