Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MEPIIELEKINYKYQPDDLRPALKDVSFTIDKGEWIAIIGHNGSGKSTLAKTINGLLLPESGIVKVGNQILDEENIWTIRQMVGMVFQNPDNQFVGSTVEDDVAFGLENQGIPREEMLVRVKDALEKVRMAEFASREPARLSGGQKQRVAIAGVVALRPDIIILDEATSMLDPEGREEVISTIKKIKEESQLTVISITHDIDEAANANRILVMRQGELVREGTPKEIFSAGPELIDLGLDLPFPEKLKSALKERGVDVPSEYMTEERMVDWLWTSVLNK 4HLU Chain:C ((12-242)) ----IELNSVSFRYNGD---YVLKDVNAEFETGKIYVVVGKNGSGKTTLLKILAGLLAAAGEIFLDGSP----ADPFLLRKNVGYVFQNPSSQIIGATVEEDVAFSLEIMGLDESEMRKRIKKVLELVGLSGLAAADPLNLSGGQKQRLAIASMLARDTRFLALDEPVSMLDPPSQREIFQVLESLKNEGK-GIILVTHELEYLDDMDFILHISNGTIDFCGSWEEFVER--EFDD--VEIPFKWKL--------------------------------

General information: TITO was launched using: RESULT: Template: 4HLU.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain C - contact count / total energy / energy per contact / energy per residue : 1182 -151428 -128.11 -655.53 target 2D structure prediction score : 0.64 Monomeric hydrophicity matching model chain C : 0.77 3D Compatibility (PKB) : -128.11 2D Compatibility (Sec. Struct. Predict.) : 0.64 1D Compatibility (Hydrophobicity) : 0.77 QMean score : 0.384

(partial model without unconserved sides chains): PDB file : Tito_4HLU.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4HLU-query.scw PDB file : Tito_Scwrl_4HLU.pdb: