Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLRFFPQKNKYIQEKSEFQFNTDGPIPQHIAIIMDGNGRWAQNRRLPRVAGHKEGMETVKKVTKKASRLGVKVLTLYAFSTENWKRPKDEVSFLMQLPVDFFDTFVPELIKENVKVHVMGYENVLPEHTQDAVRRAIEQTKNNTGMVLNFALNYGSRAEIVTAVQEIAEEVAKGEIHAEEIDDELIAKHLMTGFLPKELQDPELMIRTSGEERISNFLLWQIAYSELYFTKALWPDFDGAHLEEAIASYQNRDRRFGGVKKTEDEKGDQS 5HXP Chain:C ((7-224)) -------------------------MPKHIALIMDGNRRWAKDKGLDVSEGYKHLFPKLKEICDISSKLGIQVITAFAFSTENWKRAKGEVDFLMQMFEELYDEFS----RSGVRVSIIGCKTDLPMTLQKCIALTEETTKGNKGLHLVIALNYGGYYDILQATKSIVNKAMNGLLDVEDIN-----KNLFDQELESKCPNPDLLIRTGGDQRVSNFLLWQLAYTEFYFTKTLFPDFGEEDLKEAIINFQQR------------------

General information: TITO was launched using: RESULT: Template: 5HXP.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 : 1059 -121813 -115.03 -558.77 target 2D structure prediction score : 0.69 Monomeric hydrophicity matching model chain C : 0.80 3D Compatibility (PKB) : -115.03 2D Compatibility (Sec. Struct. Predict.) : 0.69 1D Compatibility (Hydrophobicity) : 0.80 QMean score : 0.548

(partial model without unconserved sides chains): PDB file : Tito_5HXP.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5HXP-query.scw PDB file : Tito_Scwrl_5HXP.pdb: