Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MYNSAMKILVTSGGTSEAIDSVRSITNHSTGHLGKIITETLLSAGHEVCLITTKRALKPEPHPNLSIR--EVTNTKDLLIEMQERVQDYQVLIHSMAVSDYT----------PVYMTGLEEVQASSNLKEFLSKQNHQAKISSTDEVQVLFLKKTPKIISLVKEWNPTIHLIGFKLLVDVTEDHLVDIARKSLIKNQADLIIANDLTQISADQHRAIFVEKNQLQTVQTKEEIAELLLEKIQAYHS 2PK3 Chain:A ((13-114)) -----MRALITGV----------------AGFVGKYLANHLTEQNVEVFGTSRNNEAK--L-PNVEMISLDIMDSQRVKKVISD--IKPDYIFHLAAKSSVKDSWLNKKGTFSTNVFGTLHVLDAVRD----------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 2PK3.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 : 371 -32640 -87.98 -362.67 target 2D structure prediction score : 0.72 Monomeric hydrophicity matching model chain A : 0.60 3D Compatibility (PKB) : -87.98 2D Compatibility (Sec. Struct. Predict.) : 0.72 1D Compatibility (Hydrophobicity) : 0.60 QMean score : 0.503

(partial model without unconserved sides chains): PDB file : Tito_2PK3.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2PK3-query.scw PDB file : Tito_Scwrl_2PK3.pdb: