Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MAYQWEPQQTLEPPLALELIREQFPDLSPVQIRVLGAGWDNTAFVINEDLIFRFPRREIAVPLLEAEWCILPKLAPR-LPLPIPIPKWRGSPASRFPWPFIGYKMLPGFTACYAN---LSEREREALAQPIARFLSHLHATPRSIISGCQIPGDNQGRIDWKQLMPK---IRKNIEELSLLSLLEKRNELEALLESLQN-LRPPMASIVVHGDFYVRHILVDEIHHFAGVIDWGDIHLGDPAIDLSVAHSF----LPFCAHEKFREAYGEIST-DTWSLALLRAIYSSTLLVLYGHHSKDPVI-LREGLRSLKIMVGK 4DCA Chain:A ((25-314)) ----------LDAEIYEHLNK----QIKINELRYLSSGDDSDTFLCNEQYVVKVPKRDSVRISQKRELELYRFLENCKLSYQIPAVVYQS-------DRFNIMKYIKGERITYEQYHKLSEKEKDALAYDEATFLKELHSIEIDCSVSL---FSDALVNKKDKFLQDKKLLISILEKEQLLTDEMLEHIETIYENILSNAVLFKYTPCLVHNDFSANNMIFR-NNRLFGVIDFGDFNVGDPDNDFLCLLDCSTDDFGKEFGRKVLKYYQHKAPEVAERKAELNDVYWSIDQIIYGYERKDREMLIKDVSELLQTQ---

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 : 1148 -43676 -38.05 -158.25 target 2D structure prediction score : 0.57 Monomeric hydrophicity matching model chain A : 0.69 3D Compatibility (PKB) : -38.05 2D Compatibility (Sec. Struct. Predict.) : 0.57 1D Compatibility (Hydrophobicity) : 0.69 QMean score : 0.418

(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: