Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence --------------------------------------GECHITIWEGNTPIG--TEIAIEGREYVTIAGYQCNAGAGCTAHC---IGLPKNLKERGVYH------------------------------------------------------------------------------------------------------------------ 1QRE Chain:A ((38-247)) TVDEFSNIRENPVTPWNPEPSAPVIDPTAYIDPQASVIGEVTI---GANVMVSPMASIRSDEGMPIFV-GDRSNVQDGVVLHALETINEEGEPIEDNIVEVDGKEYAVYIGNNVSLAHQSQVHGPAAVGDDTFIGMQAFVFKSKVGNNCVLEPRSAAIGVTIPDGRYIPAGMVVTSQAEADKLPEVTDDYAYSHTNEAVVYVNVHLAEGYKETS

General information: TITO was launched using: RESULT: Template: 1QRE.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 : 158 493 3.12 9.30 target 2D structure prediction score : 0.68 Monomeric hydrophicity matching model chain A : 0.54 3D Compatibility (PKB) : 3.12 2D Compatibility (Sec. Struct. Predict.) : 0.68 1D Compatibility (Hydrophobicity) : 0.54 QMean score : 0.152

(partial model without unconserved sides chains): PDB file : Tito_1QRE.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1qre-query.scw PDB file : Tito_Scwrl_1QRE.pdb: