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



Input alignment information:
Query sequenceMNLSLVLAAFCLGIASAVPKFDQNLDTKWYQWKATHRRLYGANEEGWRRAVWEKNMKMIELHNGEYSQGKHGFTMAMNAFGDMTNEEFRQMMGCFRNQKFRKGKVFREPLFLDLPKSVDWRKKGYVTPVKNQKQCGSCWAFSATGALEGQMFRKTGKLVSLSEQNLVDCSRPQGNQGCNGGFMARAFQYVKENGGLDSEESYPYVAVDEICKYRPENSVANDTGFTVVAPGKEKALMKAVATVGPISVAMDAGHSSFQFYKSGIYFEPDCSSKNLDHGVLVVGYGFEGANSNNSKYWLVKNSWGPEWGSNGYVKIAKDKNNHCGIATAASYPNV
2XU3 Chain:A ((1-220))-----------------------------------------------------------------------------------------------------------------APRSVDWREKGYVTPVKNQGQCGSCWAFSATGALEGQMFRKTGRLISLSEQNLVDCSGPQGNEGCNGGLMDYAFQYVQDNGGLDSEESYPYEATEESCKYNPKYSVANDTGFVDIP-KQEKALMKAVATVGPISVAIDAGHESFLFYKEGIYFEPDCSSEDMDHGVLVVGYGFESTESDNNKYWLVKNSWGEEWGMGGYVKMAKDRRNHCGIASAASYPTV


General information:
TITO was launched using:
RESULT:

Template: 2XU3.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 : 1343 -95778 -71.32 -435.35
target 2D structure prediction score : 0.71
Monomeric hydrophicity matching model chain A : 0.80

3D Compatibility (PKB) : -71.32
2D Compatibility (Sec. Struct. Predict.) : 0.71
1D Compatibility (Hydrophobicity) : 0.80
QMean score : 0.465

(partial model without unconserved sides chains):
PDB file : Tito_2XU3.pdb:





(Unconserved sides chains are recalculated) :
Sequence: align-2XU3-query.scw
PDB file : Tito_Scwrl_2XU3.pdb: