Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MQRIAINGFGRIGRNVLRAWFESPKQFHFEIVAINDIADVNTLVHLFKYDSTHGRFNGKVDITIENEKIYLNIQSNQRLLKVEVLQQKQPELLPWASLKIDVVLECTGLFRSHADATRHLEAGAKRVIIGAAPFDHVDAAIVYGVNHADVKAT-DQIISSVSCTTQALVPLVKIIDDAFGIETALMTEIHAVTADQSVLDHAHRDLRRARASGQNIIPTTSSALGALKRVMPKMENRIDGYSIRVPTINVAAIDLTFIAQSPITVHHINELLIKASQTDYAEIMAVTDEPLVSSDFNHSPYSLIVDSTQTMVVG-HQAKVFAWYDNEWGYANRLLDLCDSF 4DIB Chain:A ((4-332)) MTRVAINGFGRIGRMVFRQAIKE---SAFEIVAINASYPSETLAHLIKYDTVHGKFDGTVEAF--EDHLLVDG------KMIRLLNNRDPKELPWTDLGVEVVIEATGKFNSKEKAILHVEAGAKKVILTAPGKNE-DVTIVVGVNEDQLDITKHTVISNASCTTNCLAPVVKVLDEQFGIENGLMTTVHAY-------------LRRARACGQSIIPTTTGAAKALAKVLPHLNGKLHGMALRVPTPNVSLVDLVVDVKRDVTVEAINDAFKTVANGALKGIVEFSEEPLVSIDFNTNTHSAIIDGLSTMVMGDRKVKVLAWYDNEWGYSRRVVDLVTLV

General information: TITO was launched using: RESULT: Template: 4DIB.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 : 1831 -153865 -84.03 -490.02 target 2D structure prediction score : 0.61 Monomeric hydrophicity matching model chain A : 0.86 3D Compatibility (PKB) : -84.03 2D Compatibility (Sec. Struct. Predict.) : 0.61 1D Compatibility (Hydrophobicity) : 0.86 QMean score : 0.569

(partial model without unconserved sides chains): PDB file : Tito_4DIB.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4DIB-query.scw PDB file : Tito_Scwrl_4DIB.pdb: