Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLRFFPQKNKYIQEKSEFQFNTDGPIPQHIAIIMDGNGRWAQNRRLPRVAGHKEGMETVKKVTKKASRLGVKVLTLYAFSTENWKRPKDEVSFLMQLPVDFFDTFVPELIKENVKVHVMGYENVLPEHTQDAVRRAIEQTKNNTGMVLNFALNYGSRAEIVTAVQEIAEEVAKGEIHAEEIDDELIAKHLMTGFLPKELQDPELMIRTSGEERISNFLLWQIAYSELYFTKALWPDFDGAHLEEAIASYQNRDRRFGGVKKTEDEKGDQS 5HXQ Chain:A ((7-228)) -------------------------MPKHIALIMDGNRRWAKDKGLDVSEGYKHLFPKLKEICDISSKLGIQVITAFAFSTENWKRAKGEVDFLMQMFEELYDEFS----RSGVRVSIIGCKTDLPMTLQKCIALTEETTKGNKGLHLVIALNYGGYYDILQATKSIVNKAMNGLLDVEDIN-----KNLFDQELESKCPNPDLLIRTGGDQRVSNFLLWQLAYTEFYFTKTLFPDFGEEDLKEAIINFQQRHRRF--------------

General information: TITO was launched using: RESULT: Template: 5HXQ.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 : 1069 -119435 -111.73 -538.00 target 2D structure prediction score : 0.70 Monomeric hydrophicity matching model chain A : 0.80 3D Compatibility (PKB) : -111.73 2D Compatibility (Sec. Struct. Predict.) : 0.70 1D Compatibility (Hydrophobicity) : 0.80 QMean score : 0.581

(partial model without unconserved sides chains): PDB file : Tito_5HXQ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5HXQ-query.scw PDB file : Tito_Scwrl_5HXQ.pdb: