Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence ----------------------------------------------------------------------------------------------LKRVVICEVFIRMSG--GLDLPIGKDFVPAGETTKIHAYT---CETDTMCGAECDTPSNYRYSS--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- 4JY3 Chain:A ((10-379)) KTRRAEVAGGGFAGLTAAIALKQNGWDVRLHEKSSELRAFGAGIYLWHNGLRVLEGLGALDDVLQGSHTPPTYETWMHNKSVSKETFNGLPWRIMTRSHLHDALVNRARALGVDISVNSEAVAADPVGRLTLQTGEVLEADLIVGA-DGVGSKVRDSIGFKQDRWVSKDGLIRLIVPRMKKELGHGEWDNTIDMWNFWPRVQRILYSPCNENELYLGLMAPAADPRGSSVPIDLEVWVEMFPFLEPCLIEAAKLKTARYDKYETTKLDSWTRGKVALVGDAAHAMCPALAQGAGCAMVNAFSLSQDLEEGSSVEDALVAWETRIRPITDRCQALSGDYAANRSLSKGNMFTPAALEAARYDPLRRVYSWPQ

General information: TITO was launched using: RESULT: Template: 4JY3.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 : 135 -4799 -35.55 -82.74 target 2D structure prediction score : 0.81 Monomeric hydrophicity matching model chain A : 0.54 3D Compatibility (PKB) : -35.55 2D Compatibility (Sec. Struct. Predict.) : 0.81 1D Compatibility (Hydrophobicity) : 0.54 QMean score : 0.134

(partial model without unconserved sides chains): PDB file : Tito_4JY3.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4jy3-query.scw PDB file : Tito_Scwrl_4JY3.pdb: