Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MDENKSKALQAALSQIEKQFGKNTVMRLGDNTVQAVEAVSTGSLTLDIALGIGGLPKGRIIEIYGPESSGKTTMTLQAIAQCQKSGGTCAFIDAEHALDPQYARKLGVDIDNLLVSQPDNGEQALEIADMLVRSGAIDLIVVDSVAALTPKAEIEGEMGDSHMGLQARLMSQALRKITGNAKRSNCMVIFINQIRMKIGVMFGSPETTTGGNALKFYASVRLDIRRIGQVKEGDEIVGSETKVKVVKNKMAPPFKEAIFQILYGKGTNQLGELVDLAVQQDIVQKAGAWYSYQGNKIGQGKNNVIRYFEENTQIAEEIERNIREQLLTTGTNGAVQIEDEEEPDLLLES 5JRJ Chain:A ((12-334)) ----KSKALAAALAQIEKQFGKGSVMRMEDGVI--IQAVSTGSLGLDIALGIGGLPRGRVIEIYGPESSGKTTLTLQSIAEMQKLGGTCAFIDAEHALDVTYAQKLGVNLNDLLISQPDTGEQALEICDALVRSGAVDLIVVDSVAALTPKAEIE------------RLMSQALRKLTGSINRTNTTVIFINQI----------------GNALKFYASVRLDIRRTGSIKSGDEVIGSETKVKVVKNKVAPPFREAHFDILYGEGTSREGEILDLGSEHKVVEKSGAWYSYNGERIGQGKDNARNYLKEHPELAREIENKVRVAL-----------------------

General information: TITO was launched using: RESULT: Template: 5JRJ.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 : 1532 -159173 -103.90 -545.11 target 2D structure prediction score : 0.63 Monomeric hydrophicity matching model chain A : 0.88 3D Compatibility (PKB) : -103.90 2D Compatibility (Sec. Struct. Predict.) : 0.63 1D Compatibility (Hydrophobicity) : 0.88 QMean score : 0.552

(partial model without unconserved sides chains): PDB file : Tito_5JRJ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5JRJ-query.scw PDB file : Tito_Scwrl_5JRJ.pdb: