Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNRKGNLSMTTQLQHLTLPEDIQQKLLSYKEQPISPEFQSLIGTSGYEAEDEAILFDAIIALAMGKNVLLKGPTGSGKTKLAETLSSYF---HKPMHSVNCSVDLDA---EALVGYKTIENQSGQATIEFVSGPVTKAMKEGHFLYIDEINMAKPETLPILNGVLDYRKMMTNPFTGEVIRAKSGFGVIAAINEGYV---GTVPLNEALKNRFVII--DVPYIKG--ELLKQVLMSQSALKDEKLIDRFITLSSDLIVQANNGQVSEEAASIRALIDTCDLAAYIPPRRAIERGIVEKLDDDREKAAVRNIAETLFE 5EXX Chain:A ((8-240)) ------------------------------------LFRSLVGTSRAI---QQVRQMMQQVADTDASVLILGESGTGKEVVARNLHYHSKRREGPFVPVNCGAIPAELLESELFGHEKGAFT---GAITSRAGRFELA--NGGTLFLDEIGDMPLPMQVKLLRVLQERT-FERV--GSNKTQNVDVRIIAATHKNLEKMIEDGTFREDLYYRLNVFPIEMAPLRERVEDIALLLNELISRMEHEKRG-SIRFNSAAIMSLC---RHDWPGNVRELANLVERLAI---------------------------------

General information: TITO was launched using: RESULT: Template: 5EXX.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 : 953 -4667 -4.90 -21.21 target 2D structure prediction score : 0.52 Monomeric hydrophicity matching model chain A : 0.63 3D Compatibility (PKB) : -4.90 2D Compatibility (Sec. Struct. Predict.) : 0.52 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.309

(partial model without unconserved sides chains): PDB file : Tito_5EXX.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5EXX-query.scw PDB file : Tito_Scwrl_5EXX.pdb: