Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSDAMTQGNFVYAFLKSCFTRLRGFAQFLLPFLRPKKRRGINYYNPVELNKYAMQTLQKALKDDPGADIRDCLPLVYNSAMRVISKTKARKEEELKRPPTPEFRTKINYVENAEIIFPLSDEVVSLLLQYSDKDGELVGKQ---LVISLKQLIWESPKIWESAVRGVVLKCSDNVALKVIRQHPDYTEYTTLQYLAEKLPEIPVPSTYGVIRFKPFTAYFMSYIPSMTLAEAWPSLNHEGKTSVQEQLEEIFSKLRTLRKDDGYPLGGVGGEGVKEARVGNSAQEKTINTAASFVDLQFSLSEFLSKSYIQFIRTLQPPPPTGSVFTHGDVRKDNIMVDIGDNNTCTVTAIIDWEDAGFYPDYFECTTLTRTWLPHVEDDWYNYLPPCIDPARFPHHWLIDRLWGIHHPIF 4WMA Chain:A ((7-305)) --VVPVDYHLLMMF--------------------------TKAEHNAPLQAKARVALSSLLRL---AKFEAHEVLNLHFVSEEASREVAKALLRELLPPAAGFKCKVIFHDVAVLTDKLFPVVEAMQKYFSAGSGTYYSDSIFFLSVAMHQIMPKEIP-------------------RIIQLDLDLKYKTNIRELFEEFDNFLPGAVIGIAR------------------EMQPVYRHT--------FWQFRHENPKTRVGDPPPEGLPG-----------------FNSGVMLLNLEAMRQ---SPLYSHLLE---------PSWVQQLADKYHFRGHLGDQDFFTMIGMEHPELFHVLDCTWN-RQLCTWWRDHGYSDVFQAYFRCEGHVKIYHGNCNTPIPE------

General information: TITO was launched using: RESULT: Template: 4WMA.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 : 1584 -58062 -36.65 -196.15 target 2D structure prediction score : 0.48 Monomeric hydrophicity matching model chain A : 0.62 3D Compatibility (PKB) : -36.65 2D Compatibility (Sec. Struct. Predict.) : 0.48 1D Compatibility (Hydrophobicity) : 0.62 QMean score : 0.222

(partial model without unconserved sides chains): PDB file : Tito_4WMA.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4wma-query.scw PDB file : Tito_Scwrl_4WMA.pdb: