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

General information: TITO was launched using: RESULT: Template: 4IRD.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 : 1326 18778 14.16 61.97 target 2D structure prediction score : 0.54 Monomeric hydrophicity matching model chain F : 0.78 3D Compatibility (PKB) : 14.16 2D Compatibility (Sec. Struct. Predict.) : 0.54 1D Compatibility (Hydrophobicity) : 0.78 QMean score : 0.423

(partial model without unconserved sides chains): PDB file : Tito_4IRD.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4IRD-query.scw PDB file : Tito_Scwrl_4IRD.pdb: