Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTDSEEYHLPQHVAIIMDGNNRFAKKNQMQKGDGHREGKNVLDPIVEHCVKTGVRALTVFAFSSENWNRPQYEVDLLMKLLEETIHEQIPRMKKFNIALRFIGDRSRLPSHLVALMEDAEQQTAHHDAMTLTIAVSYGGMWDIANAAKQVAQAVSRGEIDADQINVDLFENYVSLNDLPAVDLLIRTGRDFRISNFLLWQAAYAELYFTDTLWPEFTVEEFDHALNVFSGRERRFGKTSEQIQQEKIEKL 5HXP Chain:A ((3-231)) ----DEALMPKHIALIMDGNRRWAKDKGLDVSEGYKHLFPKLKEICDISSKLGIQVITAFAFSTEN------EVDFLMQMFEELYDE----FSRSGVRVSIIGCKTDLPMTLQKCIALTEETTKGNKGLHLVIALNYGGYYDILQATKSIVNKAMNGLLDVEDINKNLFDQELE-SKCPNPDLLIRTGGDQRVSNFLLWQLAYTEFYFTKTLFPDFGEEDLKEAIINFQQRHRRFGGH------------

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 A - contact count / total energy / energy per contact / energy per residue : 1044 -142835 -136.82 -640.52 target 2D structure prediction score : 0.66 Monomeric hydrophicity matching model chain A : 0.81 3D Compatibility (PKB) : -136.82 2D Compatibility (Sec. Struct. Predict.) : 0.66 1D Compatibility (Hydrophobicity) : 0.81 QMean score : 0.517

(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: