Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTSSNTSRIAVQQIDPHELKAWIKAQALDLGFADCVSAKPDAQEQMPRFLEYLERGYHADMTYLEENLEKRADPTLLVPGTKSIICVRMNYLVESPKPRYVPFEPNSAITARYARGRDYHKVMRGRLKTLATRIREKVGDFESRPFADSAPIFEKSLAESAGMGWTGKHTLLIHKKSGSLFVLGELFTSLDLPFDEPATSHCGSCSACIDICPTQAIVEP---YTLDARRCIAYLTIEYKGIIAEELRAGIGNRIFGCD------DCQLICPWNSFAKTASIPDFNPRHGLDNISLLDIWQWDEATFLANTEGSPIRRTGYQSFKRNIAIGLGNAPYSKEIVDQLNKGKSLHDEIVNVHIDWAIEQQLNQL 1RGV Chain:A ((5-60)) ------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------NDDCTACDACVEECPNEAITPGDPIYVIDPTKCS------------------------ECVGAFDEPQCRLVCPADCIPD---------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 1RGV.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 : 126 -9722 -77.15 -206.84 target 2D structure prediction score : 0.72 Monomeric hydrophicity matching model chain A : 0.56 3D Compatibility (PKB) : -77.15 2D Compatibility (Sec. Struct. Predict.) : 0.72 1D Compatibility (Hydrophobicity) : 0.56 QMean score : 0.655

(partial model without unconserved sides chains): PDB file : Tito_1RGV.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1RGV-query.scw PDB file : Tito_Scwrl_1RGV.pdb: