Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKMMDANEIISFIQNSTKSTPVKVYVKGELEGINFGESAKAFINGNTGVVFGEWSEIQTAIEENQSKIEDYVVENDRRNSAIPMLDLKNIKARIEPGAIIRDQVEIGDNAVIMMGASINI---GSVIGEGTMIDMNVVLGG-----------RATVGKNCHIGAGSVLAGVIEPPSAKPVVIEDDVVIGANAVVLEGVTVGKGAVVAAGAIVV--NDVEPYTVVAGTPAKKIKDIDEKTKGKTEIKQELRQL 3R3R Chain:A ((21-156)) ------------------------------------------------------------------------------------------RVMIDTSSVVIGDVRLADDVGIWPLVVIRGDVNYVAIGARTNIQDGSVLHVTHKSSSNPHGNPLIIGEDVTVGHKVMLHG---------CTIGNRVLVGMGSIVLDGAIIEDDVMIGAGSLVPQHKRLESGYLYLGSPVKQIRPL-----------------

General information: TITO was launched using: RESULT: Template: 3R3R.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 : 727 -143143 -196.90 -1192.86 target 2D structure prediction score : 0.54 Monomeric hydrophicity matching model chain A : 0.68 3D Compatibility (PKB) : -196.90 2D Compatibility (Sec. Struct. Predict.) : 0.54 1D Compatibility (Hydrophobicity) : 0.68 QMean score : 0.643

(partial model without unconserved sides chains): PDB file : Tito_3R3R.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3R3R-query.scw PDB file : Tito_Scwrl_3R3R.pdb: