Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTDNATILQHVPVGKKVGIAFSGGLDTSAALLWMKQK-GAEPYAYTANLGQPDEDDYDAIPKKAEQYGAVKARLIDCRLQLALEGI-AAIQCGAFHISTGGVPYFNTTPLGRAVTGTMLVTAMKEDDVNIWGDGSTYKGNDIERFYRYGLLTNPNLKIYKPWLDQNFIDELGGRAEMSQFLIDNGFDYKMSKEKAYSTDSNMLGATHEAKDLEYLNAGIKIVDPIMGVAFWKEEVEIKPEEVTIRFEEGVPVALNGQRFDNPVELILEANRIGGRHGLGMSDQIENRIIEAKSRGIYEAPGMALLHIAYERLVTGIHNEDTIEQYRINGLRLGRLLYQGRWFDSQALMLRETAQRWVAKAITGEVTLELRRGNDYTIMNTESPNLTYEAERLTMEKGDSMFTPMDRIGQLTMRNLDITDTRAKLGIYTDAGLLSIGQGSALPQLDNKKK 1KH3 Chain:C ((1-391)) --------------MKIVLAYSGGLDTSIILKWLKETYRAEVIAFTADIGQG--EEVEEAREKALRTGASKAIALDLKEEFVRDFVFPMMRAGAVY----EGYYLLGTSIARPLIAKHLVRIAEEEGAEAIAHGATGKGNDQVRFELTAYALKPDIKVIAPWREWSF----QGRKEMIAYAEAHGIPVP-----PYSMDANLLHISYEGGVLEDPWAEPPKGMFRMTQDP--EEAPDAPEYVEVEFFEGDPVAVNGERLS-PAALLQRLNEIGGRHGVGRVDIVENRFVGMKSRGVYETPGGTILYHARRAVESLTLDREVLHQRDMLSPKYAELVYYGFWYAPEREALQAYFDH-VARSVTGVARLKLYKGNVYVV-GRKAPKSLYRQDLVSF-----GYDQKDAEGFIKIQALRLRVRA----------------------------

General information: TITO was launched using: RESULT: Template: 1KH3.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain C - contact count / total energy / energy per contact / energy per residue : 2012 -4632 -2.30 -12.19 target 2D structure prediction score : 0.56 Monomeric hydrophicity matching model chain C : 0.71 3D Compatibility (PKB) : -2.30 2D Compatibility (Sec. Struct. Predict.) : 0.56 1D Compatibility (Hydrophobicity) : 0.71 QMean score : 0.384

(partial model without unconserved sides chains): PDB file : Tito_1KH3.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1KH3-query.scw PDB file : Tito_Scwrl_1KH3.pdb: