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



Input alignment information:
Query sequenceMLHRRFSVQKASLSADMVDTQTFGWPVGFGLSALELEELEDDTHSLDIKPFSTLDYSSISGIDYENNPTQNDPTPHMMDLTHMYSYRTQENYRTHEPIYRPEHSSYSPEENTYRAQQIQNSIKLEPESPPQFAENSVSFSKTPEDPSSSSLNIECRVCGDKASGFHYGVHACEGCKGFFRRTIRLKLVYDHCDLHCRIHKKSRNKCQYCRFQKCLMVGMSHNAIRFGRMPQAEKEKLLAEFSSDVNHMHPESADLRALARHLYESYLKYFPLTKAKARAILSGKTSDNAPFVIHDMKSLVEGEQMINCRYMPLHEHRRSDLGIMHEVELRFFHSYQSRSAEAISEVTEFAKSIPGFINLDLNDQVTLLKYGVIEVMIIMISPLMNKDGTLISYGQIFMTREFLKSLRKPFCEMMEPKFEFSIKFNMLELDDCDMALFLAVIILSGDRPGLLDVKPIEDLQETVLHSLELQLKINHPDSLQLFAKVLQKMTDLRQLVTDHVQLIQMMKETEADWSLHPLLQEIMRDLY
3BC5 Chain:A ((22-296))------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------QLNPESADLRALAKHLYDSYIKSFPLTKAKARAILTGKT---SPFVIYDMNSLMMGEDKIKFKH-------K-------EVAIRIFQGCQFRSVEAVQEITEYAKSIPGFVNLDLNDQVTLLKYGVHEIIYTMLASLMNKDGVLISEGQGFMTREFLKSLRKPFGDFMEPKFEFAVKFNALELDDSDLAIFIAVIILSGDRPGLLNVKPIEDIQDNLLQALELQLKLNHPESSQLFAKLLQKMTDLRQIVTEHVQLLQVIKKTE--MSLHPLLQEIYKDLY


General information:
TITO was launched using:
RESULT:

Template: 3BC5.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -195880 for 2026 contacts (-96.7/contact) +
2D Compatibility (PS) -28773 + (NN) -20513 + (LL) 14124
1D Compatibility (HY) -35600 + (ID) 9350
Total energy: -275992.0 ( -136.23 by residue)
QMean score : 0.563

(partial model without unconserved sides chains):
PDB file : Tito_3BC5.pdb:





(Unconserved sides chains are recalculated) :
Sequence: align-3BC5-query.scw
PDB file : Tito_Scwrl_3BC5.pdb: