Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MALTAGIVGLPNVGKSTLFNAITKAGAEAANYPFATIDPNVGMVEVPDERLQKLTEMITPKKTVPTTFEFTDIAGIVKGASKGEGLGNKFLANIREVDAIVHVVRAFDDENVMREQGREDAFVDPLADIDTINLELILADLESVNKRYARVEKMARTQKDKESVAEFNVLQKIKPVLEDGKSARTIEFTDEEQKVVKGLFLLTTKPVLYVANVDEDVVSEPDSIDYVKQIREFAATENAEVVVISARAEEEISELDDEDKKEFLEAIGLTESGVDKLTRAAYHLLGLGTYFTAGEKEVRAWTFKRGMKAPQAAGIIHSDFEKGFIRAVTMSYEDLVKYGSEKAVKEAGRLREEGKEYIVQDGDIMEFRFNV 1LNZ Chain:B ((159-248)) --ADVGLVGFPSVGKSTLLSVVSSAKPKI---------PNLGMVETDDG----------------RSFVMADLPGLIEG--------HQFLRHIERTRVIVHVIDMSG-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 1LNZ.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 : 261 -36355 -139.29 -498.01 target 2D structure prediction score : 0.45 Monomeric hydrophicity matching model chain B : 0.60 3D Compatibility (PKB) : -139.29 2D Compatibility (Sec. Struct. Predict.) : 0.45 1D Compatibility (Hydrophobicity) : 0.60 QMean score : 0.486

(partial model without unconserved sides chains): PDB file : Tito_1LNZ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1LNZ-query.scw PDB file : Tito_Scwrl_1LNZ.pdb: