Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKNKFRKIVGTIAILTASILLSACGNSGSADDSTGYVGIAMPTKSAERWIADGNNMVSELEKLGYKTDLQYGEDKVENQVAQIENMITKGVDTLVIASIDGSALTDVLAKAKEADIKVIAYDRLLMNSENVDYYATFDNFGVGVSQAAYIEEHLGLKEGKGPFTIELFGGSPDDNNALINYNGVMSVLQPYMDNGQLVVPSGQTSFSQIATLRWDGSTAQARMDNLLSANYTDQTLDAVLSPYDPISLGIISSLKGVGYGSESKPLPVITGQDATVAGVKSIIAGEQTQTIFKDTRILAKNTIEMIKAISDGEEVPVNDTETYDNGVKTVPTYLANTVSVDKDNYQAELIDTDYYKESDLKN 4WWH Chain:B ((34-361)) --------------------------------AKGTVGIAMPTKSSERWVADGQNMVDQFKAFGYDTDLQYGDDVVQNQVSQIENMITKGVKLLVIAPIDGSSLTNTLQHAADLKIPVISYDRLIKGTPNVDYYATFDNTKVGVLQANYIVDTLGVADGKGPFNLELFAGSPDDNNATYFFQGAMSVLQPYIDSGKLVVKSGQTTFDQIATLRWDGGLAQSRMDNLLSQAYTSGRVDAVLSPYDGISRGVISALKSAGYGNAAKPLPIVTGQDAELASVKSIVAGEQTQTVFKDTRELAKAAVQEADAVLTGGTPQVNDTETYDNGVKVVPSYLLDPVSVDKSNYKKVLIDSGYYTETQV--

General information: TITO was launched using: RESULT: Template: 4WWH.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 1947 -138458 -71.11 -422.13 target 2D structure prediction score : 0.69 Monomeric hydrophicity matching model chain B : 0.86 3D Compatibility (PKB) : -71.11 2D Compatibility (Sec. Struct. Predict.) : 0.69 1D Compatibility (Hydrophobicity) : 0.86 QMean score : 0.567

(partial model without unconserved sides chains): PDB file : Tito_4WWH.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4WWH-query.scw PDB file : Tito_Scwrl_4WWH.pdb: