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



Input alignment information:
Query sequenceMSLWLEASMPDVSPDSATELWKTEPQDAGDQGGNTCILREEARMPQSTGVALGIGLESAEPTALLPRAETLPEPTELRPQKRKKGPAPKMLGNELCSVCGDKASGFHYNVLSCEGCKGFFRRSVIKGARYVCHSGGHCPMDTYMRRKCQECRLRKCRQAGMREECVLSEEQIRLKKLKRQEEEQAQATSVSPRVSSPPQVLPQLSPEQLGMIEKLVAAQQQCNRRSFSDRLRVTPWPIAPDPQSREARQQRFAHFTELAIVSVQEIVDFAKQLPGFLQLSREDQIALLKTSAIEVMLLETSRRYNPGSESITFLKDFSYNREDFAKAGLQVEFINPIFEFSRAMNELQLNDAEFALLIAISIFSADRPNVQDQLQVERLQHTYVEALHAYVSINHPHDRLMFPRMLMKLVSLRTLSSVHSEQVFALRLQDKKLPPLLSEIWDVHE
3IPS Chain:B ((41-282))----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------QLSPEQLGMIEKLVAAQQ----------LRVTPWP------SREARQQRFAHFTELAIVSVQEIVDFAKQLPGFLQLSREDQIALLKTSAIEVMLLETSRRYNPGSESITFLKDFSYNREDFAKAGLQVEFINPIFEFSRAMNELQLNDAEFALLIAISIFSADRPNVQDQLQVERLQHTYVEALHAYVSIHHPHDRLMFPRMLMKLVSLRTLSSVHSEQVFALRLQDKKLPPLLSEIWDVH-


General information:
TITO was launched using:
RESULT:

Template: 3IPS.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -141895 for 1714 contacts (-82.8/contact) +
2D Compatibility (PS) -24900 + (NN) -20075 + (LL) 11984
1D Compatibility (HY) -34000 + (ID) 11250
Total energy: -220136.0 ( -128.43 by residue)
QMean score : 0.726

(partial model without unconserved sides chains):
PDB file : Tito_3IPS.pdb:





(Unconserved sides chains are recalculated) :
Sequence: align-3IPS-query.scw
PDB file : Tito_Scwrl_3IPS.pdb: