Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MECSMNLADRDGFIWQDGQLIDWRDAKIHVLTHTLHYSMGVFEGVRAYETPKG-TAIFRLQDHTKRLLNSAKIYQMKVPYDQAALEQAQIDVVRENKLASCYLRPLIWIGSEKLGIAATNNTIHAAVAAWAWGAYLGDEAMAKGIRVKTSSFTHHHPNVTMCKAKASGNYTLSILAHQEVAHSGYDEAMLMDPQGYVCQGSGENVFLIKDGVLHTPDIAGGALDGITRQTVMTIAKDLGYEVVERRITRDEFYIADEAFFTGTAAEVTPIREYDDRQIGAGCRGPITTEIQKTFFDAVQGKKPKYEHWLTYVK 4WHX Chain:D ((6-311)) -----SMADRDGKIWMDGKLIEWRDAKIHVLTHTLHYGMGVFEGVRAYKTADGGTAIFRLKEHTKRLLNSAKIFQMDVPFDQETLEAAQRDVVRENKLESCYLRPIIWIGSEKLGVSAKGNTIHVAIAAWPWGAYLGEEGLAKGIRVKTSSFTRHHVNVSMVRAKASGWYVNSILANQEATADGYDEALLLDVDGYVSEGSGENFFLVNRGKLYTPDLA-SCLDGITRDTVITLAKEAGIEVIEKRITRDEVYTADEAFFTGTAAEVTPIRELDNRTIGGGARGPITEKLQSAFFDVVNGKSAKHADWLTKI-

General information: TITO was launched using: RESULT: Template: 4WHX.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain D - contact count / total energy / energy per contact / energy per residue : 1669 -7304 -4.38 -23.95 target 2D structure prediction score : 0.56 Monomeric hydrophicity matching model chain D : 0.92 3D Compatibility (PKB) : -4.38 2D Compatibility (Sec. Struct. Predict.) : 0.56 1D Compatibility (Hydrophobicity) : 0.92 QMean score : 0.500

(partial model without unconserved sides chains): PDB file : Tito_4WHX.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4WHX-query.scw PDB file : Tito_Scwrl_4WHX.pdb: