Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKKKGTIMSVLEIKDLHVEIEGKEILKGVNLTLKTGEIAAIMGPNGTGKSTLSAAIMGNPNYEVTKGEVLFDGVNILELEVDERARMGLFLAMQYPSEIPGITNAEFLRAAMNAGKEDDEKISVREFITKLDEKMELLNMKEEMAERYLNEGFSGGEKKRNEILQLLMLEPTFALLDEIDSGLDIDALKVVSKGVNAMRGEGFGAMIITHYQRLLNYITPDVVHVMMEGRVVLSGGPELAARLEREGYAKLAEELGYDYKEEL 2D2E Chain:A ((2-245)) --------SQLEIRDLWASIDGETILKGVNLVVPKGEVHALMGPNGAGKSTLGKILAGDPEYTVERGEILLDGENILELSPDERARKGLFLAFQYPV-VPGVTIANFLRLALQAKLG--REVGVAEFWTKVKKALELLDWDESYLSRYLNE----GEKKRNEILQLLVLEPTYAVLDETDSGLDIDALKVVARGVNAMRGPNFGALVITHYQRILNYIQPDKVHVMMDGRVVATGGPELALELEAKGYEWLKEK---------

General information: TITO was launched using: RESULT: Template: 2D2E.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 : 1202 -159678 -132.84 -668.11 target 2D structure prediction score : 0.57 Monomeric hydrophicity matching model chain A : 0.87 3D Compatibility (PKB) : -132.84 2D Compatibility (Sec. Struct. Predict.) : 0.57 1D Compatibility (Hydrophobicity) : 0.87 QMean score : 0.664

(partial model without unconserved sides chains): PDB file : Tito_2D2E.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2D2E-query.scw PDB file : Tito_Scwrl_2D2E.pdb: