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



Input alignment information:
Query sequenceMVQKRNHFLPYSLPLIGKEEIQEVTETLESGWLSKGPKVQQFEKEFAAFVGAKHAVAVNSCTAALFLALKAKGIGPGDEVITSPLTFSSTANTIIHTGATPVFADIDENTLNIDPVKLEAAVTPRTKAVVPVHFGGQSCDMDAILAVAQNHGLFVLEDAAHAVYTTYKQRMIGSIGDATAFSFYATKNLATGEGGMLTTDDEELADKIRVLSLHGMSKAAWNRYSSNGSWYYEVESPGYKMNMFDLQAALGLHQLKRLDDMQKRREEIAGRYQTAFQQIPGLITPFVHDDGRHAWHLYVLQVDEKKAGVTRSEMITALKDEYNIGTSVHFIPVHIHPYYQKQFGYKEADFPNAMNYYKRTLSLPLYPSMSDDDVDDVIEAVRDIVKGAD
4OCA Chain:A ((10-382))-------FLPFSRPAMGAEELAAVKTVLDSGWITTGPKNQELEAAFCRLTGNQYAVAVSSATAGMHIALMALGIGEGDEVITPSMTWVSTLNMIVLLGANPVMVDVDRDTLMVTPEHIEAAITPQTKAIIPVHYAGAPADLDAIYALGERYGIPVIEDAAHATGTSYKGRHIGARGTAI-FSFHAIANITCAEGGIVVTDNPQFADKLRSLKFHGLG--------------AEVLAPGYKYNLPDLNAAIALAQLQKLDALNARRAAIAAQYHQAMADLPFQPLSLPSWEHIHAWHLFIIRVDEARCGITRDALMASLKTK-GIGTGLHFRAAHTQKYYRERF--PTLTLPDTEWNSERICSLPLFPDMTESDFDRVITALHQI-----


General information:
TITO was launched using:
RESULT:

Template: 4OCA.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 : 2145 -235375 -109.73 -655.64
target 2D structure prediction score : 0.69
Monomeric hydrophicity matching model chain A : 0.82

3D Compatibility (PKB) : -109.73
2D Compatibility (Sec. Struct. Predict.) : 0.69
1D Compatibility (Hydrophobicity) : 0.82
QMean score : 0.579

(partial model without unconserved sides chains):
PDB file : Tito_4OCA.pdb:





(Unconserved sides chains are recalculated) :
Sequence: align-4OCA-query.scw
PDB file : Tito_Scwrl_4OCA.pdb: