Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKTKRWFVDVTDELSTNDPQIAQAAALLRENEVVAFPTETVYGLGANAKNTDAVKKIYEAKGRPSDNPLIVHIADISQLEDLTGPAPEKAKTLMKRFWPGALTLILPCKPDALSPRVTAGLETVAIRMPDHPLALALIRESGLP-IAAPSANLSGKPSPTKAEHVAHDLDGRIAGIVDGGP-TGIGVESTVLSCADDIPVLLRPGGITKEQIEAVIGPIHVDKGLSDQNEKPISPGMKYTHYAPTAPLAICEGSPERIQHLIQEYQQGGRRVGVLTTEEKAGVYSADYVKSCGRRAQLETVAAGLYDALRSFDENKVDFIIAESFPDTGVGLAIMNRLMKAAGGRVIR 4G9I Chain:A ((200-390)) -----------------GDPLRKAAELIDKGYIVAIKGIGGIHLACDAANEEVVAELRRRTFRP-QKPFAIMAKDIETVKSFAY-VSPEEEEELT-SYRRPIITLRKKEPFPLPENLAPGLHTIGVMLPYAGTHYILFHWSKTPVYVMTSANYPGMPMVKDNERAFEELKDVADYFLLHNRKILNRADDSVIRFVDGKRAVIRRSRGFVPL-----------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4G9I.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 : 965 -81662 -84.62 -432.07 target 2D structure prediction score : 0.71 Monomeric hydrophicity matching model chain A : 0.63 3D Compatibility (PKB) : -84.62 2D Compatibility (Sec. Struct. Predict.) : 0.71 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.446

(partial model without unconserved sides chains): PDB file : Tito_4G9I.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4G9I-query.scw PDB file : Tito_Scwrl_4G9I.pdb: