Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MRKIIHIDMDAFYASVELRERPDLRHLPVVIS-SHHPRAVIAAASYPAREFGLRSAMSMSQARKLCPQVVIIEPNFEKYRAISAQIHSIFQQYTTLIEPLSLDEAYLDVTENLKQIASATEVAMHIREDIFRQTGLTASAGVAPNKFLAKVASDWNKPNGLFVIKPSQVASFIQDLPLKKIPGVGKVTQEKLQQLELHTLGDLQKIEEAVLVHHFGKYGQQLYLYAQGIDNRPVQAERARQQISKETTFDSDF-TLAQCQSYWHGLAEKVWQSLEKK-------QLNARGVNIKLKLKNFQTLQHSKSFKNPIHSQQDLIQVLFLLLNEMHIPENFQFRLIGVLGFINYKLKLTTFSCLYGECCFFIQKNKF 4Q45 Chain:F ((3-314)) -RKIIHVDMDCFFAAVEMRDNPALRDIPIAIGGSRERRGVISTANYPARKFGVRSAMPTGMALALCPHLTLLPGRFDAYKEASNHIREIFSRYTSRIEPLSLDEAYLDVTDSVHCHGSATLIAQEIRQTIFNELQLTASAGVAPVKFLAKIASDMNKPNGQFVITPAEVPAFLQTLPLAKIPGVGKVSAAKLEAMGLRTCGDVQACDLVMLLKRFGKFGRILWERSQGIDERDVNSERLRKSVGVERTMAEDIHHWSECEA----IIERLYPELERRLAKVKPDLLIARQ-GVKLKFDDFQ--QTTQEHVWPRLNKADLI----------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4Q45.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain F - contact count / total energy / energy per contact / energy per residue : 1330 9667 7.27 31.90 target 2D structure prediction score : 0.57 Monomeric hydrophicity matching model chain F : 0.78 3D Compatibility (PKB) : 7.27 2D Compatibility (Sec. Struct. Predict.) : 0.57 1D Compatibility (Hydrophobicity) : 0.78 QMean score : 0.436

(partial model without unconserved sides chains): PDB file : Tito_4Q45.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4Q45-query.scw PDB file : Tito_Scwrl_4Q45.pdb: