Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MMPRTIIEKIWDQHIVKHGEGKPDLLYIDLHLIHEVTSPQAFEGLRQKGRKVRRPQNTFATMDHNIPTVNRFEIKDEVAKRQVTALERNCEEFGVRLADLHSVDQGIVHVVGPELGLTLPGKTIVCGDSHTSTHGAFGALAFGIGTSEVEHVLSTQTLWQQRPKTLEVRVDGTLQKGVTAKDVILAVIGKYGVKFGTGYVIEYTGEVFRNMTMDERMTVCNMSIEAGARAGLIAPDEVTFEYC-KNRKYTPKGEEFDKA--VEEWK-ALRTDPGAVYDKSIVLDGNKISPMVTWGINPGMVLPVDSEVPAPESFSAEDDKKEAIRAYEYMGLTPHQKIEDIKVEHVFIGSCTNSRMTDLRQAADMIKGKKVADSVRA----IVVPGSQSVKLQAEKEGLDQIFLEAGFEWRESGCSMCLSM-NNDVVPEGER--CASTSNRNFEGRQGKGARTH--LVSPAMAAMAAIHGHFVDVRKFYQEKTVV 1NIS Chain:A ((144-476)) ---------------------------------------------------------------------------------------------------------GIIHQIILE-NYAYPGVLLIGTDSHTPNGGGLGGICIGVGGADAVDVMAGIPWELKCPKVIGVKLTGSLSGWTSPKDVILKVAGILTVKGGTGAIVEYHGPGVDSISCTGMATICNMGAEIGATTSV-------FPYNHRMKKYLSKTGRADIANLADEFKDHLVPDSGCHYDQLIEINLSELKPHINGPFTPDLAHPV-AEV-------------GSVAEKEGWPL-------DIRVG--LIGSCTNSSYEDMGRSAAVAK-QALAHGLKCKSQFTITPGSEQIRATIERDGYAQVLRDVGGIVLANACGPCIGQWDRKDIKKGEKNTIVTSYNRNFTGRNDANPETHAFVTSPEIVTALAIAG---------------

General information: TITO was launched using: RESULT: Template: 1NIS.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 : 1787 -39912 -22.33 -124.73 target 2D structure prediction score : 0.62 Monomeric hydrophicity matching model chain A : 0.73 3D Compatibility (PKB) : -22.33 2D Compatibility (Sec. Struct. Predict.) : 0.62 1D Compatibility (Hydrophobicity) : 0.73 QMean score : 0.377

(partial model without unconserved sides chains): PDB file : Tito_1NIS.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1NIS-query.scw PDB file : Tito_Scwrl_1NIS.pdb: