Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MMELQFPLHNDTSRKIIHIDMDAFFASVEERDHPEFRGHPLVIARHPSDTGGRGVVTTANYEARKFGIHSAMSAQKAYELCPQAIFKPGDHHKYSDISKQVREVFYRYTDIVEPVSIDEAYLDVTENKINC-KSAIKIARMIQADIWESVQLTCSAGVSYNKFLAKLASDYQKPRGITVVAPQDAVPFLKALPIEKFHGVGKKTVPRMHELGIYTGKDLYECTEMMLIRNFGKMGYSLYRKVRGIHDSPVNVTRERKSVGKEHTYGQPL---QTEEAVLTQL-----RQLAEKVEEALRRVQKHGKTVVLKVRYTDYSTVTKRVTLPEYIYKKEALFYQASLIWEEILGVEKGIRLLGITLTNLDPMTYENIVLPLWENQEI 4IR9 Chain:A ((2-342)) ------------SRKIIHVDMDCFFAAVEMRDNPALRDIPIAIG---GSRERRGVISTANYPARKFGVRSAMPTGMALKLCPHLTLLPGRFDAYKEASNHIREIFSRYTSRIEPLSLDEAYLDVTDS-VHCHGSATLIAQEIRQTIFNELQLTASAGVAPVKFLAKIASDMNKPNGQFVITPAEVPAFLQTLPLAKIPGVGKVSAAKLEAMGLRTCGDVQKCDLVMLLKRFGKFGRILWERSQGIDERDVNSERLRKSVGVERTMAEDIHHWSECEAIIERLYPELERRLAKVKPDLL--IARQG----VKLKFDDFQQTTQEHVWPR--LNKADLIATARKTWDERRG-GRGVRLVGLHVTLLDP----------------

General information: TITO was launched using: RESULT: Template: 4IR9.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 : 1529 -27945 -18.28 -84.17 target 2D structure prediction score : 0.57 Monomeric hydrophicity matching model chain A : 0.79 3D Compatibility (PKB) : -18.28 2D Compatibility (Sec. Struct. Predict.) : 0.57 1D Compatibility (Hydrophobicity) : 0.79 QMean score : 0.429

(partial model without unconserved sides chains): PDB file : Tito_4IR9.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4IR9-query.scw PDB file : Tito_Scwrl_4IR9.pdb: