Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MMELQFPLHNDTSRKIIHIDMDAFFASVEERDHPEFRGHPLVIARHPSDTGG----RGVVTTANYEARKFGIHSAMSAQKAYELCPQAIFKPGDHHKYSDISKQVREVFYRYTDIVEPVSIDEAYLDVTENKINC-KSAIKIARMIQADIWESVQLTCSAGVSYNKFLAKLASDYQKPRGITVVAPQDAVPFLKALPIEKFHGVGKKTVPRMHELGIYTGKDLYECTEMMLIRNFGKMGYSLYRKVRGIHDSPVNVTRERKSVGKEHTYGQPL---QTEEAVLTQL-----RQLAEKVEEALRRVQKHGKTVVLKVRYTDYSTVTKRVTLPEYIYKKEALFYQASLIWEEILGVEKGIRLLGITLTNLDPMTYENIVLPLWENQEI 4Q44 Chain:A ((2-342)) ------------SRKIIHVDMDCFFAAVEMRDNPALRDIPIAI-------GGSRERRGVISTANYPARKFGVRSAMPTGMALALCPHLTLLPGRFDAYKEASNHIREIFSRYTSRIEPLSLDEAYLDVTDS-VHCHGSATLIAQEIRQTIFNELQLTASAGVAPVKFLAKIASDMNKPNGQFVITPAEVPAFLQTLPLAKIPGVGKVSAAKLEAMGLRTCGDVQACDLVMLLKRFGKFGRILWERSQGIDERDVNSERLRKSVGVERTMAEDIHHWSECEAIIERLYPELERRLAKVKPDLL--IARQG----VKLKFDDFQQTTQEHVWPR--LNKADLIATARKTWDERRG-GRGVRLVGLHVTLLDP----------------

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 A - contact count / total energy / energy per contact / energy per residue : 1476 13258 8.98 40.42 target 2D structure prediction score : 0.62 Monomeric hydrophicity matching model chain A : 0.79 3D Compatibility (PKB) : 8.98 2D Compatibility (Sec. Struct. Predict.) : 0.62 1D Compatibility (Hydrophobicity) : 0.79 QMean score : 0.464

(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: