Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSKEKVILAYSGGLDTSVAITWLKKDY--DVVAVCMDVGEGKDLDFIHDKALKVGAVESYVIDVKDEFATDYVLVAHQSHAYYEQKYPLVSALSRPLISKKLVEIAHQIGATTIAHGCTGKGNDQVRFEVSIAALDLNLKVIAPVREWKW-SREEEIYYAKENGVPVPADLDNPYSVDQNLWGRANECGILENPWNQAPEEAFGITTSPEQAPDMPEYIEIEFSEGVPVSLNGEVLKLADLIQKLNEIAGKHGVGRIDHVENRLVGIKSREIYECPGAVTLLTAHKEIEDLTLVREVAHFKPIIENELSNLIYNALWFSSATQALIAYIKETQKVVNGTAKVKLYKGSAQVVARKSPSSLYDENLATYTSADTFDQDAAVGFIKLWGLPTKVHSEVQKSAK 1KH3 Chain:B ((2-395)) ----KIVLAYSGGLDTSIILKWLKETYRAEVIAFTADIGQGEEVEEAREKALRTGASKAIALDLKEEFVRDFVFPMMRAGAVYEGYYLLGTSIARPLIAKHLVRIAEEEGAEAIAHGATGKGNDQVRFELTAYALKPDIKVIAPWREWSFQGRKEMIAYAEAHGIPVP-----PYSMDANLLHISYEGGVLEDPWAEPPKGMFRMTQDPEEAPDAPEYVEVEFFEGDPVAVNGERLSPAALLQRLNEIGGRHGVGRVDIVENRFVGMKSRGVYETPGGTILYHARRAVESLTLDREVLHQRDMLSPKYAELVYYGFWYAPEREALQAYFDHVARSVTGVARLKLYKGNVYVVGRKAPKSLYRQDLVSF----GYDQKDAEGFIKIQALRLRVRALVER---

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 B - contact count / total energy / energy per contact / energy per residue : 1984 -24240 -12.22 -63.45 target 2D structure prediction score : 0.53 Monomeric hydrophicity matching model chain B : 0.87 3D Compatibility (PKB) : -12.22 2D Compatibility (Sec. Struct. Predict.) : 0.53 1D Compatibility (Hydrophobicity) : 0.87 QMean score : 0.480

(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: