Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MRKIIHIDMDAFYASVELRERPDLRHLPVVIS-SHHPRAVIAAASYPAREFGLRSAMSMSQARKLCPQVVIIEPNFEKYRAISAQIHSIFQQYTTLIEPLSLDEAYLDVTENLKQIASATEVAMHIREDIFRQTGLTASAGVAPNKFLAKVASDWNKPNGLFVIKPSQVASFIQDLPLKKIPGVGKVTQEKLQQLELHTLGDLQKIEEAVLVHHFGKYGQQLYLYAQGIDNRPVQAERARQQISKETTFDSDF-TLAQCQSYWHGLAEKVWQSLEKK-------QLNARGVNIKLKLKNFQTLQHSKSFKNPIHSQQDLIQVLFLLLNEMHIPENFQFRLIGVLGFINYKLKLTTFSCLYGECCFFIQKNKF 4Q44 Chain:F ((3-314)) -RKIIHVDMDCFFAAVEMRDNPALRDIPIAIGGSRERRGVISTANYPARKFGVRSAMPTGMALALCPHLTLLPGRFDAYKEASNHIREIFSRYTSRIEPLSLDEAYLDVTDSVHCHGSATLIAQEIRQTIFNELQLTASAGVAPVKFLAKIASDMNKPNGQFVITPAEVPAFLQTLPLAKIPGVGKVSAAKLEAMGLRTCGDVQACDLVMLLKRFGKFGRILWERSQGIDERDVNSERLRKSVGVERTMAEDIHHWSECEA----IIERLYPELERRLAKVKPDLLIARQ-GVKLKFDDFQ--QTTQEHVWPRLNKADLI----------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4Q44.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 14384 10.81 47.47 target 2D structure prediction score : 0.55 Monomeric hydrophicity matching model chain F : 0.78 3D Compatibility (PKB) : 10.81 2D Compatibility (Sec. Struct. Predict.) : 0.55 1D Compatibility (Hydrophobicity) : 0.78 QMean score : 0.400

(partial model without unconserved sides chains): PDB file : Tito_4Q44.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4Q44-query.scw PDB file : Tito_Scwrl_4Q44.pdb: