Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MALTAGIVGLPNVGKSTLFNAITKAGAEAANYPFATIDPNVGMVEVPDERLQKLTEMITPKKTVPTTFEFTDIAGIVKGASKGEGLGNKFLANIREVDAIVHVVRAFDDENVMREQGREDAFVDPLADIDTINLELILADLESVNKRYARVEKMARTQKDKESVAEFNVLQKIKPVLEDGKSARTIEFTDEEQKVVKGLFLLTTKPVLYVANVDEDVVSEPDSIDYVKQIREFAATENAEVVVISARAEEEISELDDEDKKEFLEAIGLTESGVDKLTRAAYHLLGLGTYFTAGEKEVRAWTFKRGMKAPQAAGIIHSDFEKGFIRAVTMSYEDLVKYGSEKAVKEAGRLREEGKEYIVQDGDIMEFRFNV 1M2O Chain:B ((24-190)) --GKLLFLGLDNAGKTTLLHMLKN---DRLATLQPTWHPTSEELAIGN-----------------IKFTTFDLGG-------HIQARRLWKDYFPEVNGIVFLVDA-ADPERFDEARVELDALFNIAELKDVPF-VILGNKIDA-----------PNAVSEAELRSALGLLNTTGIEGQRPVEVFMCSVVMRNGYLEAFQWLSQYI---------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 1M2O.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 : 826 -86438 -104.65 -527.06 target 2D structure prediction score : 0.37 Monomeric hydrophicity matching model chain B : 0.59 3D Compatibility (PKB) : -104.65 2D Compatibility (Sec. Struct. Predict.) : 0.37 1D Compatibility (Hydrophobicity) : 0.59 QMean score : 0.320

(partial model without unconserved sides chains): PDB file : Tito_1M2O.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1M2O-query.scw PDB file : Tito_Scwrl_1M2O.pdb: