Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSSGRIIQIIGAVIDVEFERTSVPKIYDALQVD---GTETTLEVQQQLGDGVVRTIAMGSTEGLKRGLTVTSTNAPISVPVGTATLGRIMDVLGRPIDEAGPVATEERLPIHRQAPSYAEQAASTDLLETGIKVIDLLCPFAKGGKVGLFGGAGVGKTVNMMELINNIAKAHSGLSVFAGVGERTREGNDFYHEMKDSNVLDKVAMVYGQMNEPPGNRLRVALTGLTMAEYFRDEKDENGKGRDVLLFVDNIYRYTLAGTEVSALLGRMPSAVGYQPTLAEEMGVLQERITSTKSGSITSIQAVYVPADDLTDPSPATTFAHLDATVVLSRDIASSGIYPAIDPLDSTSRQLDPLVVGQEHYEIARAVQNVLQRYKELKDIIAILGMDELAEEDKLVVYRARKIQRFFSQPFHVAEVFTGAPGKLVPLKETIRGFKGLLAGEYDHIPEQAFYMVGGIDEVIAKAEKL 5HKK Chain:E ((2-462)) -NKGRIIQVMGPVVDIQFESGQLPDIYNAITIERPQGGTLTVEAAVHLGDNVVRCVAMASTDGLVRGLEAVDTGAPISVPVGKATLGRVFNVLGEPIDEQGEVNAEERHPIHRPAPEFEELSTADEILETGIKVIDLLAPYAKGGKIGLFGGAGVGKTVLIQELINNVAQEHGGLSVFAGVGERTREGNDLYHEMKDSGVISKTSMVFGQMNEPPGARLRVALTGLTMAEYFRDRE-----GQDVLLFIDNIFRFTQAGSEVSALLGRMPSAVGYQPTLATEMGQLQERITSTKKGSITSIQAIYVPADDYTDPAPATTFAHLDATTNLERKLAEMGIYPAVDPLASTSRILSPAVVGEEHYRVARGVQQVLQRYNDLQDIIAILGMDELSDEDKLIVARARKIQRFLSQPFHVAEQFTGMPGKYVPVKETVRGFKEILEGKHDNLPEEAFYMVGTIDEAVEKAKKL

General information: TITO was launched using: RESULT: Template: 5HKK.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain E - contact count / total energy / energy per contact / energy per residue : 2625 -2232 -0.85 -4.87 target 2D structure prediction score : 0.55 Monomeric hydrophicity matching model chain E : 0.92 3D Compatibility (PKB) : -0.85 2D Compatibility (Sec. Struct. Predict.) : 0.55 1D Compatibility (Hydrophobicity) : 0.92 QMean score : 0.490

(partial model without unconserved sides chains): PDB file : Tito_5HKK.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5HKK-query.scw PDB file : Tito_Scwrl_5HKK.pdb: