Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)


Input alignment information:
Query sequenceMEQKEKHFSLSWFFKWFLDNKAITVFLVTLLLGLNLFILSKISFLFSPVLDFLAVVMLPVILSGLLYYLLNPIVDWMEKHKVNRVIAITIVFVIIALFIIWGLAVAIPNLQRQVLTFARNVPVYLEDIDRIVNGLVAQHLPDDFRPQLEQVLTNF-SSQATVLASKVSSQAVNWVSAFISGASQVIVALIIVPFMLFYLLRDGKGLRNYLTQFIPRKLKEPVGQVLSDVNQQLSNYVRGQVTVAIIVAVMFIIFFKIIGLRYAVTLGVTAGILNLVPYLGSFLAMLPALVLGLIAGPVMLLKVVIVFIVEQTIEGRFVSPLILGSQLNIHPINVLFVLLTSGSMFGIWGVLLGIPVYASAKVVISAIFEWYKVVSGLYELEGEEVKSEQ
2DHB Chain:A ((60-139))-----------------------------------------------------------------------------------KKVADGLTLAVGHLDDLPGALSDLSNLHAHKL---RVDPVNFKLLSHCLLSTLAVHLPNDFTPAVHASLDKFLSSVSTVLTSK-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------


General information:
TITO was launched using:
RESULT:

Template: 2DHB.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 : 168 -23893 -142.22 -302.44
target 2D structure prediction score : 0.54
Monomeric hydrophicity matching model chain A : 0.42

3D Compatibility (PKB) : -142.22
2D Compatibility (Sec. Struct. Predict.) : 0.54
1D Compatibility (Hydrophobicity) : 0.42
QMean score : 0.317

(partial model without unconserved sides chains):
PDB file : Tito_2DHB.pdb:





(Unconserved sides chains are recalculated) :
Sequence: align-2DHB-query.scw
PDB file : Tito_Scwrl_2DHB.pdb: