Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence ----------------------------------------------------------------------------------------------MSKTLHSEKFAINF-----FIVDQVPQF-----ARRIMT---QVPQIGSRCVFKEKRFDIVGVEWCLDEDATNYEYQARINIELKPV--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- 4MND Chain:A ((40-457)) LMKAVILAAGLGGGVPKPLVRVGGCEIILRTMKLLSPHVSEFIIVASRYADDIDAFLKDKGFNYKIVRHDRPEKGNGYSLLVAKNHVEDRFILTMGDHVYSQQFIEKAVRGEGVIADREPRFVDIGEATKIRVEDGRVAKIGK----DLREFDCVDTGFFVLDDSIFEHAEKLRDREEIPLSEIVKLARLPVTYVDGELWMDVDTKEDVRRANRALVSAAVGDGFISRKINRKISTRISAAIVNKVNPNQMTLISFLVGAFSALASFFSIPLAGLLYQFSSILDGCDGEIARASLKMSKKGGYVDSILDRFVDFLFLAIIALLYPKTATVAMFAIFGSVMVSYTSEKYKAEFGESIRVLNYIPGKRDERIFLIMIFCLLSAISLQWIFWMFLFVAAISLTRVVVTLLAVLVS

General information: TITO was launched using: RESULT: Template: 4MND.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 : 255 14763 57.89 210.89 target 2D structure prediction score : 0.26 Monomeric hydrophicity matching model chain A : 0.47 3D Compatibility (PKB) : 57.89 2D Compatibility (Sec. Struct. Predict.) : 0.26 1D Compatibility (Hydrophobicity) : 0.47 QMean score : 0.240

(partial model without unconserved sides chains): PDB file : Tito_4MND.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4MND-query.scw PDB file : Tito_Scwrl_4MND.pdb: