Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNTRHFSQLPKAALAYPKVVQGLIFKKPKGPKILPQVEYVVDTLEIDQNHLKAYNEVCGF--QNN----------GFV-PAIYLAVLSQSLQMHMMTAEAFPFPILGLVHIRNQIKQTRPIGVTEKLTLSCKLGELKPHDKG--VQFDFITTAK-V-GNEVVMEGLTTYLSRQKVEKRVGEKA--KEEQAP-AYVPKAEWNILENTGRRYAKVSGDFNLIHIHAITAKA-FGFKQAIAHGMWSKAKALANLE--L----P-NAYEADVWFKLPMFLPSKVEFLTANAD-KKTDFLIRN-AKS-QKPHVAGTVKAL 3KHP Chain:B ((32-307)) -------------------------------------VTEPMLFEWTDRDTLLYAIGVGAGTGDLAFTTENSHGIDQQVLPTYAVICCPAF--GA-AAKVGTFNPAALLHGSQGIRLHAPLPAAGKLSVVTEVADIQDKGEGKNAIVVLRGRGCDPESGSLVAETLTTLVLRGQGGFGGARGERPAAPEFPDRHPDARIDMPTREDQALIYRLSGDRNPLHSDPWFATQLAGFPKPILHGLCTYGVAGRALVAELGGGVAANITSIAARFTKPVFPGETLSTVIWRTEPGRAVFRTEVAG--EARVVLDDGAVE-

General information: TITO was launched using: RESULT: Template: 3KHP.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 : 1229 -1212 -0.99 -5.03 target 2D structure prediction score : 0.49 Monomeric hydrophicity matching model chain B : 0.64 3D Compatibility (PKB) : -0.99 2D Compatibility (Sec. Struct. Predict.) : 0.49 1D Compatibility (Hydrophobicity) : 0.64 QMean score : 0.286

(partial model without unconserved sides chains): PDB file : Tito_3KHP.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3KHP-query.scw PDB file : Tito_Scwrl_3KHP.pdb: