Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSVLEIKNLHVSIEEKEILKGVNLTMKTGEIHAIMGPNGTGKSTLSAAIMGNPNYEVTEGEILFDGKNVLDLEVDERARLGLFLAMQYPSEIPGITNAEFMRAAINAKRDENDKISVMAFLKKLDEKMALLNMPEEMAERYLNEGFSGGEKKRNEILQLLMLEPTFAILDEIDSGLDIDALKVVAKGVNEMRGDNFGALIITHYQRLLNYITPDVVHIMMEGRVVMTGNADLAKRLEAEGYAGISKELGIDYKEEEA 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 -159835 -132.97 -668.77 target 2D structure prediction score : 0.61 Monomeric hydrophicity matching model chain A : 0.88 3D Compatibility (PKB) : -132.97 2D Compatibility (Sec. Struct. Predict.) : 0.61 1D Compatibility (Hydrophobicity) : 0.88 QMean score : 0.587

(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: