Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKTKRWFVDVTDELSTNDPQIAQAAALLRENEVVAFPTETVYGLGANAKNTDAVKKIYEAKGRPSDNPLIVHIADISQLEDLTGPAPEKAKTLMKRFWPGALTLILPCKPDALSPRV-TAGLETVAIRMPDHPLALALIRESGLPIAAPSANLSGKPSPTKAEHVAHDLDGRIAGIVDGGPTGIGVESTVLSCADDIPVLLRPGGITKEQIEAVIGPIHVDKGLSDQNEKPISPGMKYTHYAPTAPLAICEGSPERIQHLIQEYQQGGRRVGVLTTEEKAGVYSADYVKSCGRRAQLETVAAGLYDALRSFDENKVDFIIAESFPDTGVGLAIMNRLMKAAGGRVIR 1JCU Chain:A ((16-193)) --------------------LEEAISVMEGGGIVIYPTDTIYGLGVNALDEDAVRRLFRVKGRSPHKPVSICVSCVDEIPRFSRPSGD-AMELMERILPGPYTVVL--ERNELIPDVITGGSSRVGIRVPDDEICRRI--AARFPVTATSANISGKPPSPRLEEIVRDLDA-VDLVLDAGDCLDMEPSTVIDLTVNPPRVLRRG-----------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 1JCU.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 : 858 -41687 -48.59 -235.52 target 2D structure prediction score : 0.71 Monomeric hydrophicity matching model chain A : 0.69 3D Compatibility (PKB) : -48.59 2D Compatibility (Sec. Struct. Predict.) : 0.71 1D Compatibility (Hydrophobicity) : 0.69 QMean score : 0.486

(partial model without unconserved sides chains): PDB file : Tito_1JCU.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1JCU-query.scw PDB file : Tito_Scwrl_1JCU.pdb: