Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MRKAGAADSAPTPKPQDGPARAWVARLVQRRFGERPRGLQALGGGLNNHVYQLQAGGQPLVVRLHQDPGKLAVYRKEAWAMGQARKA--GVPTPQVLEVGEEGGHPYMLQRLVEGIPGTQ-------WADGNAVLRQMGELAARLHQVATQGFGPAVGGSAVPGQRSWPHWADFLDHELRVGERLGMLDRV-NALPTPARQALTATLAQM----RRWSRRPVLQHGDLRLKNVIVSPRDGRIVALIDWEDCLSAPPPHWELAIALHDL----GPDGKEVFLEGYGLSAARFARIAPQLRALNVLNYAWAIHLALQDGQRRRAEWMKARLRGVFDVAL 4DCA Chain:A ((25-291)) ------------------LDAEIYEHLNK---QIKINELRYLSSGDDSDTFLC---NEQYVVKVPKRDSVRISQKRELELYRFLENCKLSYQIPAVVYQ----SDRFNIMKYIKGERITYEQYHKLSEKEKDALAYDEATFLKELHSIEIDCSVSLFS-D-----ALVNKKDKFLQDK-KL---LISILEKEQLLTDEMLEHIETIYENILSNAVLFKYTPCLVHNDFSANNMIFR-N-NRLFGVIDFGDFNVG-DPDNDFLCLLDCSTDDFGKEFGRKVLKYYQHKAPE-----VAERKAELNDVYWSIDQI------------------------

General information: TITO was launched using: RESULT: Template: 4DCA.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 : 998 -5517 -5.53 -22.16 target 2D structure prediction score : 0.53 Monomeric hydrophicity matching model chain A : 0.67 3D Compatibility (PKB) : -5.53 2D Compatibility (Sec. Struct. Predict.) : 0.53 1D Compatibility (Hydrophobicity) : 0.67 QMean score : 0.374

(partial model without unconserved sides chains): PDB file : Tito_4DCA.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4dca-query.scw PDB file : Tito_Scwrl_4DCA.pdb: