Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MMELQFPLHNDTSRKIIHIDMDAFFASVEERDHPEFRGHPLVIARHPSDTGG----RGVVTTANYEARKFGIHSAMSAQKAYELCPQAIFKPGDHHKYSDISKQVREVFYRYTDIVEPVSIDEAYLDVTENKINC-KSAIKIARMIQADIWESVQLTCSAGVSYNKFLAKLASDYQKPRGITVVAPQDAVPFLKALPIEKFHGVGKKTVPRMHELGIYTGKDLYECTEMMLIRNFGKMGYSLYRKVRGIHDSPVNVTRERKSVGKEHTYGQPL---QTEEAVLTQL-----RQLAEKVEEALRRVQKHGKTVVLKVRYTDYSTVTKRVTLPEYIYKKEALFYQASLIWEEILGVEKGIRLLGITLTNLDPMTYENIVLPLWENQEI 4IRK Chain:A ((2-342)) ------------SRKIIHVDMDCFFAAVEMRDNPALRDIPIAI-------GGSRERRGVISTANYPARKFGVRSAMPTGMALALCPHLTLLPGRFDAYKEASNHIREIFSRYTSRIEPLSLDEAYLDVTDS-VHCHGSATLIAQEIRQTIFNELQLTASAGVAPVKFLAKIASDMNKPNGQFVITPAEVPAFLQTLPLAKIPGVGKVSAAKLEAMGLRTCGDVQACDLVMLLKRFGKFGRILWERSQGIDERDVNSERLRKSVGVERTMAEDIHHWSECEAIIERLYPELERRLAKVKPDLL--IARQG----VKLKFDDFQQTTQEHVWPR--LNKADLIATARKTWDERRG-GRGVRLVGLHVTLLDP----------------

General information: TITO was launched using: RESULT: Template: 4IRK.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 : 1479 23429 15.84 71.43 target 2D structure prediction score : 0.59 Monomeric hydrophicity matching model chain A : 0.79 3D Compatibility (PKB) : 15.84 2D Compatibility (Sec. Struct. Predict.) : 0.59 1D Compatibility (Hydrophobicity) : 0.79 QMean score : 0.491

(partial model without unconserved sides chains): PDB file : Tito_4IRK.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4IRK-query.scw PDB file : Tito_Scwrl_4IRK.pdb: