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



Input alignment information:
Query sequenceMCTSLTLETADRKHVLARTMDFAFQLGTEVILYPRRYSWNS-EADGRAHQTQYAFIGMGR-KLGNILFADGINESGLSCAALYFPGYAEYEKTIREDTVHIVPHEFVTWVLSVCQSLEDVKEKIRSLTIVEKKLDLLDTVLPLHWILSDRTGRNLTIEPRADGLKVYDNQPGVMTNSPDFIWHVTNLQQYTGIRPKQLESKEMGGLALSAFGQGLGTVGLPGDYTPPSRFVRAVYLKEHLEPAADETKGVTAAFQILANMTIPKGAVITEEDEIHYTQYTSVMCNETGNYYFHHYDNRQIQKVNLFHEDLDCLEPKVFSAKAEESIHELN
2QUY Chain:D ((1-329))-CSSLSIRTTDDKSLFARTMDFTMEPDSKVIIVPRNYGIRLLEKENVVINNSYAFVGMGSTDITSPVLYDGVNEKGLMGAMLYYATFATYADEPKKGTRGINPVYVISQVLGNCVTVDDVIEKLTSYTLLNEANIILGFAPPLHYTFTDASGESIVIEPDKTGITIHRKTIGVMTASPGYEWHQTNLRAYIGVTPNPPQDIMMGDLDLTPFGQGAGGLGLPGDFTPSARFLRVAYWKKYTEKAKNETEGVTNLFHILSSVNIPKGVVLTNEGKTDYTIYTSAMCAQSKNYYFKLYDNSRISAVSLMAENLNSQDLITFEWDRKQDIKQLN


General information:
TITO was launched using:
RESULT:

Template: 2QUY.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 : 1870 -18856 -10.08 -57.66
target 2D structure prediction score : 0.58
Monomeric hydrophicity matching model chain D : 0.81

3D Compatibility (PKB) : -10.08
2D Compatibility (Sec. Struct. Predict.) : 0.58
1D Compatibility (Hydrophobicity) : 0.81
QMean score : 0.470

(partial model without unconserved sides chains):
PDB file : Tito_2QUY.pdb:





(Unconserved sides chains are recalculated) :
Sequence: align-2QUY-query.scw
PDB file : Tito_Scwrl_2QUY.pdb: