Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence ----ME-VPTVVSAIVETELSSYEITGHVLEGDIH-REFEVVDEAGDQYVLKVAGDTEEERAR-VKHEAVVVGSLQEFDF--VPDLCGSGVVDSYPFLLFDRVEATEQWGTARWETTAARTLGETLARVHTDIEPRAE-WRTSGDAHPLPESQPPAATFETLC-------ELRTSDRR-----RLAELLPDVAAVLQETTAERGVVHGDVTIDNVRFSSDARECTLVDWETATVADAYFDVAIAELRTFQLFSSLLSVPEETILSELRAAYGVPSSAVRRIRAHKILQLCRMVPRVERLGPYASWQRRVDGSCLEQVERVLERTVRRCTFAEPLEGLGTRGSGDSEE 3JR1 Chain:A ((14-309)) NLYFQGMWKSISQVLAEQFGAYYFIKHKEKLYSGEMNEIWLINDEVQTVFVKINE---RSYRSMFRAEADQLALLAKTNSINVPLVYGIGNSQGHSFLLLEALNKSKN------KQSSFTIFAEKIAQLHQIQGPDKYGLDFDTWLGPIYQPNDWQTSWAKFFSENRIGWQLQICKEKGLIFGNIDLIVQIVADTLSKHNPKPSILHGNLWIENCIQVDD--KIFVCNP-ACYWGDRECDIAFSSL---------FEPFPTNFYQRYNEIYPLEEG---YLERKLIYQLYYLLNFSYRYYNK-------KQSYVSLTQKLINQILHK--------------------

General information: TITO was launched using: RESULT: Template: 3JR1.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 : 1360 42368 31.15 154.63 target 2D structure prediction score : 0.57 Monomeric hydrophicity matching model chain A : 0.67 3D Compatibility (PKB) : 31.15 2D Compatibility (Sec. Struct. Predict.) : 0.57 1D Compatibility (Hydrophobicity) : 0.67 QMean score : 0.358

(partial model without unconserved sides chains): PDB file : Tito_3JR1.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3jr1-query.scw PDB file : Tito_Scwrl_3JR1.pdb: