Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKVMQLLPEL--NSGGVERGTLEIARALVAQGHQSLVVSNGGRLV--SQLE-AEGSTHLTLPIHKKSLSSLWQIRPLRQLIEEHQPDIVHVRSRVPAWLTHFALRKIPANKHPHLISTVHGFYSVN--------RYSAIMTQAEKVIAVSDSVVKYITDHYKNCPPQDIVRIYRGIDPAAFPHNYQPSAQWFNQVFNDFPELENKFLLCLPGRITRLKGHESLIELMQKLGEQYPQLHAVVVGGADVKKQTYLSELQNTIQSKGLADKITFVGHR--SDIREWLAFSDIVLSLSNQ------AETFGRTALEALSVGTPVIGWNRGGVAEILSHVYPQGLVEAENEKALVERVKHHIEQPQTVA---------PVTMFSLKDMCDQTLELYQSVLK 3OKP Chain:A ((5-380)) RKTLVVTNDFPPRIGGIQSYLRDFIATQDPES--IVVFASTQNAEEAHAYDKTLDYEVIRWPRSV-MLPTPTTAHAMAEIIREREIDNVWFGAAAPLALMAGTAKQ---AGASKVIASTHGHEVGWSMLPGSRQSLRKIGTEVDVLTYISQYTLRRFKSAFG-S-HPTFEHLPSGVDVKRFTPATPED---KSATRKKLGFTDTTPVIACNSRLVPRKGQDSLIKAMPQVIAARPDAQLLIVGSGRY-----ESTLRRLATD--VSQNVKFLGRLEYQDMINTLAAADIFAMPARTRGGGLDVEGLGIVYLEAQACGVPVIAGTSGGAPETVTPA-TGLVVEGSDVDKLSELLIELLDDPIRRAAMGAAGRAHVEAEWSWEIMGERLTNILQSEP-

General information: TITO was launched using: RESULT: Template: 3OKP.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 : 1862 12741 6.84 36.82 target 2D structure prediction score : 0.59 Monomeric hydrophicity matching model chain A : 0.70 3D Compatibility (PKB) : 6.84 2D Compatibility (Sec. Struct. Predict.) : 0.59 1D Compatibility (Hydrophobicity) : 0.70 QMean score : 0.477

(partial model without unconserved sides chains): PDB file : Tito_3OKP.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3OKP-query.scw PDB file : Tito_Scwrl_3OKP.pdb: