Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKNKFRKIVGTIAILTASILLSACGNSGSADDSTGYVGIAMPTKSAERWIADGNNMVSELEKLGYKTDLQYGEDKVENQVAQIENMITKGVDTLVIASIDGSALTDVLAKAKEADIKVIAYDRLLMNSENVDYYATFDNFGVGVSQAAYIEEHLGLKEGKGPFTIELFGGSPDDNNALINYNGVMSVLQPYMDNGQLVVPSGQTSFSQIATLRWDGSTAQARMDNLLSANYTDQTLDAVLSPYDPISLGIISSLKGVGYGSESKPLPVITGQDATVAGVKSIIAGEQTQTIFKDTRILAKNTIEMIKAISDGEEVPVNDTETYDNGVKTVPTYLANTVSVDKDNYQAELIDTDYYKESDLKN 3M9W Chain:A ((5-307)) ------------------------------------IGMAIDDLRLERWQKDRDIFVKKAESLGAKVFVQSANGNEETQMSQIENMINRGVDVLVIIPYNGQVLSNVVKEAKQEGIKVLAYDRMI-NDADIDFYISFDNEKVGELQAKALVDIV----PQGNYF--LMGGSPVDNNAKLFRAGQMKVLKPYVDSGKIKVVGDQWVDG------WLPENALKIMENALTAN--NNKIDAVVASNDATAGGAIQALSAQGLSGKV----AISGQDADLAGIKRIAAGTQTMTVYKPITLLANTAAEIAVELGNGQE-PKADT-TLNNGLKDVPSRLLTPIDVNKNNIKDTVIKDGFHKESEL--

General information: TITO was launched using: RESULT: Template: 3M9W.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 : 1741 -139504 -80.13 -460.41 target 2D structure prediction score : 0.62 Monomeric hydrophicity matching model chain A : 0.75 3D Compatibility (PKB) : -80.13 2D Compatibility (Sec. Struct. Predict.) : 0.62 1D Compatibility (Hydrophobicity) : 0.75 QMean score : 0.472

(partial model without unconserved sides chains): PDB file : Tito_3M9W.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3M9W-query.scw PDB file : Tito_Scwrl_3M9W.pdb: