Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MALTAGIVGLPNVGKSTLFNAITKAGAEAANYPFATIDPNVGMVEVPDERLQKLTEMITPKKTVPTTFEFTDIAGIVKGASKGEGLGNKFLANIREVDAIVHVVRAFDDENVMREQGREDAFVDPLADIDTINLELILADLESVNKRYARVEKMARTQKDKESVAEFNVLQKIKPVLEDGKSARTIEFTDEEQKVVKGLFLLTTKPVLYVANVDEDVVSEPDSIDYVKQIREFAATENAEVVVISARAEEEISELDDEDKKEFLEAIGLTESGVDKLTRAAYHLLGLGTYFTAGEKEVRAWTFKRGMKAPQAAGIIHSDFEKGFIRAVTMSYEDLVKYGSEKAVKEAGRLREEGKEYIVQDGDIMEFRFNV 1UDX Chain:A ((157-251)) -IADVGLVGYPNAGKSSLLAAMTRAHPKIAPYPFTTLSPNLGVVEVSEE----------------ERFTLADIPGIIEGASEGKGLGLEFLRHIARTRVLLYVLDAAD-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 1UDX.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 : 369 -37944 -102.83 -416.96 target 2D structure prediction score : 0.52 Monomeric hydrophicity matching model chain A : 0.62 3D Compatibility (PKB) : -102.83 2D Compatibility (Sec. Struct. Predict.) : 0.52 1D Compatibility (Hydrophobicity) : 0.62 QMean score : 0.410

(partial model without unconserved sides chains): PDB file : Tito_1UDX.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1UDX-query.scw PDB file : Tito_Scwrl_1UDX.pdb: