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



Input alignment information:
Query sequenceMSGRISDRDIAAIREGARIEDVVGDYVQLRRAGADSLKGLCPFHNEKSPSFHVRPNHGHFHCFGCGEGGDVYAFIQKIEHVSFVEAVELLADRIGHTISYTGAATSVQRDRGSRSRLLAANAAAAAFYAQALQSDEAAPARQYLTERSFDAAAARKFGCGFAPSGWDSLTKHLQRKGFEFEELEAAGLSRQGRHGPMDRFHRRLLWPIRTSAGEVVGFGARRLFDDDAMEAKYVNTPETLLYKKSSVMFGIDLAKRDIAKGHQAVVVEGYTDVMAMHLAGVTTAVASCGTAFGGEHLAMLRRLMMDDSFFRGELIYVFDGDEAGRAAALKAFDGEQKLAGQSFVAVAPDGMDPCDLRLKCGDAALRDLVARRTPLFEFAIRAAIAEMDLDSAEGRVAALRRCVPMVGQIKDPTLRDEYARQLAGWVGWADVAQVIGRVRGEAKRTKHPRLGRLGSTTIARAAQRPTAGPPTELAVRPDPRDPTLWPQREALKSALQYPALAGPVFDALTVEGFTHPEYAAVRAAIDTAGGTSAGLSGAQWLDMVRQQTTSTVTSALISELGVEAIQVDDDKLPRYIAGVLARLQEVWLGRQIAEVKSKLQRMSPIEQGDEYHALFGDLVAMEAYRRSLLEQASGDDLTA
2AU3 Chain:A ((3-405))-----MSSDIDELRREIDIVDVISEYLNLEKVGS-NYRTNCPFHPDDTPSFYVSPSKQIFKCFGCGVGGDAIKFVSLYEDISYFEAALELAKRYGKKLDLEKIS--------KDEKVYVALDRVCDFYRESLL--KNREASEYVKSRGIDPKVARKFDLGYAPSS-EALVKVLKENDLLEAYLETKNLLSPTKGVYRDLFLRRVVIPIKDPRGRVIGFGGRRIVED--KSPKYINSPDSRVFKKGENLFGLYEAKEYIKEEGFAILVEGYFDLLRLFSEGIRNVVAPLGTALTQNQANLLSKFTK-------KVYILYDGDDAGRKAMKSAIPLLLSAGVEVYPVYLPEGYDPDEFIKEFGKEELRRLINSSGELFETLIKTARENLE--------EKTREFRYYLGFISDGVRRFALASEFHTKYKVPMEI-LLMKI---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------


General information:
TITO was launched using:
RESULT:

Template: 2AU3.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -225515 for 3325 contacts (-67.8/contact) +
2D Compatibility (PS) -44083 + (NN) -22244 + (LL) 14796
1D Compatibility (HY) -31600 + (ID) 6150
Total energy: -314796.0 ( -94.68 by residue)
QMean score : 0.585

(partial model without unconserved sides chains):
PDB file : Tito_2AU3.pdb:





(Unconserved sides chains are recalculated) :
Sequence: align-2AU3-query.scw
PDB file : Tito_Scwrl_2AU3.pdb: