Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MANVLMIGFPGEGHINPSIGVMKELKSRGENITYYAVKEYKEKITALDIEFREYHDFRGDYFGKNATGDEERDFTEMLCAFLKACKDIATHIYEEVKHESYDYVIYDHHL---LAGKVIANMLKLPRFSLCTTFAMNEEFAKEMM-GAYMKGSLEDSPH-YESYQ-----QL---AETLNADFQAEIKKPFD-V-F-LADGDLTIVFTSRGFQPLAEQFGERYVFVGPSI-T-ERAGNNDFP-FDQIDNENVLFISMGTIFNNQKQFFNQCLEVCKDFDGKVVLSIGKHIKTSELNDIPENFIVRPYVPQLEILKRASLFVTHGGMNSTSEGLYFETPLVVIPMGGDQFVVADQVEKVGAGKVIKKEELSESLLKETIQEVMNNRSYAEKAKEIGQSLKAAGGSKKAADSILEAVKQKTQSANA 1IIR Chain:A ((1-401)) -MRVLLATCGSRGDTEPLVALAVRVRDLGADVRMCAPPDCAERLAEVGVPHVPVGP-------RAK-PLTA---EDVRRFTTEAIATQFDEIPAAAE--GCAAVVTTGLLAAAIGVRSVAEKLGIPYFYAFH-CPSYVPSPYYPPPP----------IDIPAQWERNNQSAYQRYGGLLN-SHRDAIGLPPVEDIFTFGYTDHPWVAADPVLAPLQ-PTDLDAVQTGAWILPDERPLSPELAAFLD-AGPPPVYLGFG---A-PADAVRVAIDAIRAHGRRVILSRGWADLV--LPDDGADCFAIGEVNHQVLFGRVAAVIHHGGAGTTHVAARAGAPQILLPQMADQPYYAGRVAELGVGVAHDGPIPTFDSLSAALATALTPE-THARATAVAGTIR-TDGAAVAARLLLDAVSRE------

General information: TITO was launched using: RESULT: Template: 1IIR.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 : 1948 -80222 -41.18 -221.00 target 2D structure prediction score : 0.61 Monomeric hydrophicity matching model chain A : 0.67 3D Compatibility (PKB) : -41.18 2D Compatibility (Sec. Struct. Predict.) : 0.61 1D Compatibility (Hydrophobicity) : 0.67 QMean score : 0.538

(partial model without unconserved sides chains): PDB file : Tito_1IIR.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1IIR-query.scw PDB file : Tito_Scwrl_1IIR.pdb: