Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKKKGTIMSVLEIKDLHVEIEGKEILKGVNLTLKTGEIAAIMGPNGTGKSTLSAAIMGNPNYEVTKGEVLFDGVNILELEVDERARMGLFLAMQYPSEIPGITNAEFLRAAMNA--GKEDDEKISVREFITKLDEKMELLNMKEEMAERYLNEGFSGGEKKRNEILQLLMLEPTFALLDEIDSGLDIDALKVVSKGVNAMRGEGFGAMIITHYQRLLNYITPDVVHVMMEGRVVLSGGPELAARLEREGYAKLAEELGYDYKEEL 2D2F Chain:A ((2-246)) --------SQLEIRDLWASIDGETILKGVNLVVPKGEVHALMGPNGAGKSTLGKILAGDPEYTVERGEILLDGENILELSPDERARKGLFLAFQYPVEVPGVTIANFLRLALQAKLGRE----VGVAEFWTKVKKALELLDWDESYLSRYLNEGFSGGEKKRNEILQLLVLEPTYAVLDETDSGLDIDALKVVARGVNAMRGPNFGALVITHYQRILNYIQPDKVHVMMDGRVVATGGPELALELEAKGYEWLKEKV--------

General information: TITO was launched using: RESULT: Template: 2D2F.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 : 1221 -63954 -52.38 -263.18 target 2D structure prediction score : 0.59 Monomeric hydrophicity matching model chain A : 0.88 3D Compatibility (PKB) : -52.38 2D Compatibility (Sec. Struct. Predict.) : 0.59 1D Compatibility (Hydrophobicity) : 0.88 QMean score : 0.649

(partial model without unconserved sides chains): PDB file : Tito_2D2F.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2D2F-query.scw PDB file : Tito_Scwrl_2D2F.pdb: