Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MIKRYTCQNGVRIVLENNPTVRSVAIGVWIGTGSRHETPEINGISHFLEHMFFKGTSTKSAREIAESFDRIGGQVNAFTSKEYTCYYAKVLDEHANYALDVLADMFFHSTFDENELKKEKNVVYEEIKMYEDAPDDIVHDLLSKATYGNHSLGYPILGTEETLASFNGDSLRQYMHDYYTPDRVVISVAGNISDS-FIKDVEKWFGSYEAKGKATGLEK-PEF-HT-----EKLTRKKETEQAHLCLGFKGLEVGHERIYDLIVLNNVLGGS-----------MSSRLFQDVREDKGLAYSVYSYHSSYEDSGMLTIYGGTGANQLQQLSETIQETLAT-LK--RDGITSKELENSKEQMKGSLMLSLESTNSKMSRNGKNELLLGK-HKTLDEIINELNAVNLERVNGLARQLFT---------E-DYALALISPSGNMPS 1HR6 Chain:A ((6-441)) -FKLSSLANGLKVATSNTPG-HFSALGLYIDAGSRFEGRNLKGCTHILDRLAFKSTEHVEGRAMAETLELLGGNYQCTSSRENLMYQASVFNQDVGKMLQLMSETVRFPKITEQELQEQKLSAEYEIDEVWMKPELVLPELLHTAAYSGETLGSPLICPRGLIPSISKYYLLDYRNKFYTPENTVAAFVG-VPHEKALELTGKYLGDWQSTHPP-ITKKVAQYTGGESCIPPAPVFGNLPELFHIQIGFEGLPIDHPDIYALATLQTLLGGGGSFSAGGPGKGMYSRLYTHVLNQYYFVENCVAFNHSYSDSGIFGISLSCIPQAAPQAVEVIAQQMYNTFANKDLRLTEDEVSRAKNQLKSSLLMNLESKLVELEDMGRQ-VLMHGRKIPVNEMISKIEDLKPDDISRVAEMIFTGNVNNAGNGKGRATVVMQGDRGSFG-

General information: TITO was launched using: RESULT: Template: 1HR6.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 : 2088 -175031 -83.83 -434.32 target 2D structure prediction score : 0.70 Monomeric hydrophicity matching model chain A : 0.77 3D Compatibility (PKB) : -83.83 2D Compatibility (Sec. Struct. Predict.) : 0.70 1D Compatibility (Hydrophobicity) : 0.77 QMean score : 0.525

(partial model without unconserved sides chains): PDB file : Tito_1HR6.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1HR6-query.scw PDB file : Tito_Scwrl_1HR6.pdb: