Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MRKIIHIDMDAFYASVELRERPDLRHLPVVIS-SHHPRAVIAAASYPAREFGLRSAMSMSQARKLCPQVVIIEPNFEKYRAISAQIHSIFQQYTTLIEPLSLDEAYLDVTENLKQIASATEVAMHIREDIFRQTGLTASAGVAPNKFLAKVASDWNKPNGLFVIKPSQVASFIQDLPLKKIPGVGKVTQEKLQQLELHTLGDLQKIEEAVLVHHFGKYGQQLYLYAQGIDNRPVQAERARQQISKETTFDSDF-TLAQCQSYWHGLAEKVWQSLEKK-------QLNARGVNIKLKLKNFQTLQHSKSFKNPIHSQQDLIQVLFLLLNEMHIPENFQFRLIGVLGFINYKLKLTTFSCLYGECCFFIQKNKF 4R8U Chain:A ((2-313)) -RKIIHVDMDCFFAAVEMRDNPALRDIPIAIGGSRERRGVISTANYPARKFGVRSAMPTGMALKLCPHLTLLPGRFDAYKEASNHIREIFSRYTSRIEPLSLDEAYLDVTDSVHCHGSATLIAQEIRQTIFNELQLTASAGVAPVKFLAKIASDMNKPNGQFVITPAEVPAFLQTLPLAKIPGVGKVSAAKLEAMGLRTCGDVQKCDLVMLLKRFGKFGRILWERSQGIDERDVNSERLRKSVGVERTMAEDIHHWSECEA----IIERLYPELERRLAKVKPDLLIARQ-GVKLKFDDFQ--QTTQEHVWPRLNKADLI----------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4R8U.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 : 1302 17748 13.63 58.57 target 2D structure prediction score : 0.56 Monomeric hydrophicity matching model chain A : 0.78 3D Compatibility (PKB) : 13.63 2D Compatibility (Sec. Struct. Predict.) : 0.56 1D Compatibility (Hydrophobicity) : 0.78 QMean score : 0.441

(partial model without unconserved sides chains): PDB file : Tito_4R8U.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4R8U-query.scw PDB file : Tito_Scwrl_4R8U.pdb: