Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLYIWMP---ETNGVWHWSNGENW-----LQAASLDQLIQDLQIHQGKEAAVFFPSRHAQMLQQTMAKFHYKQLGADGVKYLLEEFVTLPIDHMKVVHHFH-ADQLTVLAVAQGMVETWQHSLALLPTKLVALLPDFLVLPEPQAQQVILCNIGHQLLVRENKWLGNSID--DLGLFLEFQSAETHYQYSGLTAEQLESLEAASSAEQRSEFVYQFQPLDKTKQHPFNVLPKSKGQERTFSNYWKACAAVVLAIIVVQFSYDLLRWVKLKKVADQTAEQAIEQYKYWFGSSSGRVTEQNVRSNFKSRLEVSQQGDTQALSLLSRVGPILMQRQILAQQLNYDASILTMALKTKSADDLQALTQQLNQQGFKAELGNVQADGSGAIGVVKIQ 2BH1 Chain:A ((5-183)) -LTVRLSSQKEADIPWLVWSAEQQEVIASGQVAGWEALHEIESYADQRSVVVLLAASDLILTSVEIPPGASRQL-ENMLPYLLEDEIAQDVEDVHFCVLSKGRETADVVGVDRLWLRACLDHLKACGFDVKRVLPDVLAIPRP-EHGLAALQLGDEWLVRKSTTQGMAVDAQWLSLLAASDW-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 2BH1.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 : 752 -17926 -23.84 -106.70 target 2D structure prediction score : 0.40 Monomeric hydrophicity matching model chain A : 0.62 3D Compatibility (PKB) : -23.84 2D Compatibility (Sec. Struct. Predict.) : 0.40 1D Compatibility (Hydrophobicity) : 0.62 QMean score : 0.339

(partial model without unconserved sides chains): PDB file : Tito_2BH1.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2BH1-query.scw PDB file : Tito_Scwrl_2BH1.pdb: