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



Input alignment information:
Query sequenceMADRLNVAERLAEGRPAAEHTQSYVRACHLVGYQHPDLTAYPAQIHDWYGSEDGLDLHALDADCAQLRAAASVLMEALRMERSQVAVLAAAWTGSGADAAVHFVQRHCETGNSVVTEVRAAAQRCESLRDNLWQLVDSKVATAIAIDERALAQRPAWLAAAEALTTEGADRPTAVEVVRQQIQPYVDDDVRNDWLTTMRSTTAGVAASYDAVTDQLASAPRAHFEIPDDLGPGRQPSPASVPAQPSATAAITPAAALPPPDPVPAVTSRPVTPSDFGSAPGDGSATPAGVGSAGGFGDAGGTGGLGGFAGLAGLANRIVDAVDSLLGSVAEQLGDPLAADNPPGAVDPFAEDAADNADDGDDAHPEEADEAAEPKEATEPDEADEVDDADESVPAERAQDVAEEATLPPVAEPPPPAAPPVAEPPPPVAAPAPPGAPEPANGPSPEALSEGATPCEIAADELPQAGP
3GWK Chain:C ((7-85))-----------------------------------------------------KLTPEELRSSAQKYTAGSQQVTEVLNLLTQEQAVIDENWDGSTFDSFEAQFNELSPKITEFAQLLEDINQQLLKVADII-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------


General information:
TITO was launched using:
RESULT:

Template: 3GWK.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -20045 for 448 contacts (-44.7/contact) +
2D Compatibility (PS) -9209 + (NN) -8967 + (LL) 15364
1D Compatibility (HY) -2400 + (ID) 650
Total energy: -25907.0 ( -57.83 by residue)
QMean score : 0.443

(partial model without unconserved sides chains):
PDB file : Tito_3GWK.pdb:





(Unconserved sides chains are recalculated) :
Sequence: align-3GWK-query.scw
PDB file : Tito_Scwrl_3GWK.pdb: