Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNIANYTLKVKG-----KTLLQDTDLHFSSGKINHVVGKNGVGKSQLAKDFLL---NNSKRIG--R-------------DIRQNVSLISSSSN--IPNDVSKDFLLHFLSKKFDA---KMIDKIAYLLNLDNID---GKVLIKNLSDGQKQKLKLLSFLLEDKNIIVLDEITNSLDKKTVIEIHGFLNKYIQENPEKIIINITHDLSDLKAIEGDYYIFNHQEIQQYHSVDKLIEVYINE 4HUQ Chain:A ((3-234)) IAFEHVTYTYQAGTPMAHTALTDVSLTVPDRGYLAIIGHTGSGKSTLIQQLNALLKPTSGTIKIDEFTITPETTNAALKPLRQHVGMVFQFPENQLFE-ETVRQDIAFGPKNFGMADADALALADEMLTTVGLDQSYAERSPFELSGGQMRRVAIAGVLAMQPKVLVLDEPTAGLDPQGRQEMMRLFARLHQEQG-LTIVLVTHQMEDVAQYAEQVAVMHEGRLMKFGTPADVF------

General information: TITO was launched using: RESULT: Template: 4HUQ.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 : 955 17791 18.63 88.51 target 2D structure prediction score : 0.64 Monomeric hydrophicity matching model chain A : 0.71 3D Compatibility (PKB) : 18.63 2D Compatibility (Sec. Struct. Predict.) : 0.64 1D Compatibility (Hydrophobicity) : 0.71 QMean score : 0.445

(partial model without unconserved sides chains): PDB file : Tito_4HUQ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4HUQ-query.scw PDB file : Tito_Scwrl_4HUQ.pdb: