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



Input alignment information:
Query sequenceMFFAVITLFPEMFEAITAYGISGRAAKRDIVQVTCINPRDFAEGSYRRVDERPFGGGPGMVMMAEPLAKAINHAKQLASQAGCVHVPVVYMSPQGKTLNEQAVQQFVDYDGLIVLCGRYEGVDERLIQHYVDQEWSIGDYVLSGGELPAMVLLDSIIRRLPNVMSDEQSAIQDSFVDGLLDCPQYTKPDQFEGLDVPEILKSGHHANIEKWRFLQRYQRTLERRPELIEQVTLTKQQKKWLSDEQG
4YQ5 Chain:A ((9-249))MWIGVISLFPEMFKAITEFGVTGRAVKHNLLKVECWNPRDFTFDKHKTVDDRPYGGGPGMLMMVQPLRDAIHTAKAAAGEG----AKVIYLSPQGRKLDQGGVTELAQNQKLILVCGRYEGIDERLIQTEIDEEWSIGDYVLTGGELPAMTLIDAVARFIPGVL---------SFADGLLDCPHYTRPEVLEGLTVPPVLMSGHHEEIRKWRLKQSLQRTWLRRPELLEGLALTDEQRKLLKEAQ-


General information:
TITO was launched using:
RESULT:

Template: 4YQ5.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 : 992 -160201 -161.49 -690.52
target 2D structure prediction score : 0.64
Monomeric hydrophicity matching model chain A : 0.88

3D Compatibility (PKB) : -161.49
2D Compatibility (Sec. Struct. Predict.) : 0.64
1D Compatibility (Hydrophobicity) : 0.88
QMean score : 0.520

(partial model without unconserved sides chains):
PDB file : Tito_4YQ5.pdb:





(Unconserved sides chains are recalculated) :
Sequence: align-4YQ5-query.scw
PDB file : Tito_Scwrl_4YQ5.pdb: