Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MPNKLLEVKGLKQYFNVGKKNEVHAVNDISFHIYEGETFGLVGESGSGKSTTGRTIIRLNEPTDGEILFDGQDITKIKDKKGLTKFRHDVQMIFQDPYASLNPRMKVRDIIAEGIDVNGLAKSSEERAKKVDDLLRTVGLNPSHGTRYPHEFSGGQRQRIGIARALAVKPRFIICDEPISALDVSIQAQVVNLLQDLQKEHQLTYLFIAHDLSMVKHISDRIGVMHNGLLLEMGTSDEIYNHGVHPYTESLL-------------------SAIPLPDPDHERKRRRIKYQPE----------PDDGQVRQLREIAPEHFVYATEQEVPYYAKKLKRQKESLLVAN--------------- 1Z47 Chain:A ((11-355)) -GSMTIEFVGVEKIYP----GGARSVRGVSFQIREGEMVGLLGPSGSGKTTILRLIAGLERPTKGDVWIGGKRVTDLPPQK------RNVGLVFQN--YALFQHMTVYDNVSFGLREKR--VPKDEMDARVRELLRFMRLESYAN-RFPHELSGGQQQRVALARALAPRPQVLLFDEPFAAIDTQIRRELRTFVRQVHDEMGVTSVFVTHDQEEALEVADRVLVLHEGNVEQFGTPEEVYEKPGTLFVASFIGESNVWTRAVQNGRIEVAGAALPVDPAVSEGSEVAVVVRPKDVELQPASEREAHAQVVRSAFKGSYSACWIRTKDGEVWEVHVPSADRHRWSPGAWVHMNVTRWFIFPR

General information: TITO was launched using: RESULT: Template: 1Z47.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 : 1441 -131340 -91.15 -436.35 target 2D structure prediction score : 0.55 Monomeric hydrophicity matching model chain A : 0.75 3D Compatibility (PKB) : -91.15 2D Compatibility (Sec. Struct. Predict.) : 0.55 1D Compatibility (Hydrophobicity) : 0.75 QMean score : 0.522

(partial model without unconserved sides chains): PDB file : Tito_1Z47.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1Z47-query.scw PDB file : Tito_Scwrl_1Z47.pdb: