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



Input alignment information:
Query sequenceMRKQVALVTGAAGGIGFEIAREFAREGASVIVSDL-RPEACEKAASKLAEE-GFDAAAIPYDVTKEAQVADTVNVIQKQYGRLDILVNNAGIQHVAPIEEFPTDTFEQLIKVMLTAPFIAMKHVFPIMKKQQFGRIINIASVNGLVGFAGKSAYNSAKHGVIGLTKVGALEGAPHGITVNALCPGYVDTQLVRNQLSDLSKTRNVPYDSVLEQVIFPLVPQKRLLSVKEIADYAVFLASEKAKGVTGQAVVLDGGYTAQ
3VDR Chain:D ((2-260))LKGKKAVVTGSTSGIGLAMATELAKAGADVVINGFGQPEDIERERSTLESKFGVKAYYLNADLSDAQATRDFIAKAAEALGGLDILVNNAGIQHTAPIEEFPVDKWNAIIALNLSAVFHGTAAALPIMQKQGWGRIINIASAHGLVASVNKSAYVAAKHGVVGLTKVTALENAGKGITCNAICPGWVRTPLVEKQIEAISQQKGIDIEAAARELLAEKQPSLQFVTPEQLGGAAVFLSSAAADQMTGTTLSLDGGWTAR


General information:
TITO was launched using:
RESULT:

Template: 3VDR.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 : 1429 -34714 -24.29 -135.07
target 2D structure prediction score : 0.65
Monomeric hydrophicity matching model chain D : 0.84

3D Compatibility (PKB) : -24.29
2D Compatibility (Sec. Struct. Predict.) : 0.65
1D Compatibility (Hydrophobicity) : 0.84
QMean score : 0.629

(partial model without unconserved sides chains):
PDB file : Tito_3VDR.pdb:





(Unconserved sides chains are recalculated) :
Sequence: align-3VDR-query.scw
PDB file : Tito_Scwrl_3VDR.pdb: