Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLRFFPQKNKYIQEKSEFQFNTDGPIPQHIAIIMDGNGRWAQNRRLPRVAGHKEGMETVKKVTKKASRLGVKVLTLYAFSTENWKRPKDEVSFLMQLPVDFFDTFVPELIKENVKVHVMGYENVLPEHTQDAVRRAIEQTKNNTGMVLNFALNYGSRAEIVTAVQEIAEEVAKGEIHAEEIDDELIAKHLMTGFLPKELQDPELMIRTSGEERISNFLLWQIAYSELYFTKALWPDFDGAHLEEAIASYQNRDRRFGGVKKTEDEKGDQS 5HXT Chain:B ((7-226)) -------------------------MPKHIALIMDGNRRWAKDKGLDVSEGYKHLFPKLKEICDISSKLGIQVITAFAFSTENWKRAKGEVDFLMQMFEELYDEFS----RSGVRVSIIGCKTDLPMTLQKCIALTEETTKGNKGLHLVIALNYGGYYDILQATKSIVNKAMNGLLDVEDIN-----KNLFDQELESKCPNPDLLIRTGGDQRVSNFLLWQLAYTEFYFTKTLFPDFGEEDLKEAIINFQQRHR----------------

General information: TITO was launched using: RESULT: Template: 5HXT.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 1065 -119797 -112.48 -544.53 target 2D structure prediction score : 0.69 Monomeric hydrophicity matching model chain B : 0.80 3D Compatibility (PKB) : -112.48 2D Compatibility (Sec. Struct. Predict.) : 0.69 1D Compatibility (Hydrophobicity) : 0.80 QMean score : 0.587

(partial model without unconserved sides chains): PDB file : Tito_5HXT.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5HXT-query.scw PDB file : Tito_Scwrl_5HXT.pdb: