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



Input alignment information:
Query sequenceMQRVNMIMAESPGLITICLLGYLLSAECTVFLDHENANKILNRPKRYNSGKLEEFVQGNLERECMEEKCSFEEAREVFENTERTTEFWKQYVDGDQCESNPCLNGGSCKDDINSYECWCPFGFEGKNCELDVTCNIKNGRCEQFCKNSADNKVVCSCTEGYRLAENQKSCEPAVPFPCGRVSVSQTSKLTRAETVFPDVDYVNSTEAETILDNITQSTQSFNDFTRVVGGEDAKPGQFPWQVVLNGKVDAFCGGSIVNEKWIVTAAHCVETGVKITVVAGEHNIEETEHTEQKRNVIRIIPHHNYNAAINKYNHDIALLELDEPLVLNSYVTPICIADKEYTNIFLKFGSGYVSGWGRVFHKGRSALVLQYLRVPLVDRATCLRSTKFTIYNNMFCAGFHEGGRDSCQGDSGGPHVTEVEGTSFLTGIISWGEECAMKGKYGIYTKVSRYVNWIKEKTKLT
2WPK Chain:S ((1-235))----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------VVGGEDAKPGQFPWQVVLNGKVDAFCGGSIVNEKWIVTAAHCVETGVKITVVAGEHNIEETEHTEQKRNVIRIIPHHNFNAAINTYNHDIALLELDEPLVLNSYVTPICIADKEYTNIFLKFGSGYVSGWGRVFHKGRSALVLQYLRVPLVDRATCLRSTKFTITNNMFCAGFHEGGRDSCQGDSGGPHVTEVEGTSFLTGIISWGEECAMKGKYGIYTKVSRYVNWIKEKTKLT


General information:
TITO was launched using:
RESULT:

Template: 2WPK.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -154719 for 2052 contacts (-75.4/contact) +
2D Compatibility (PS) -25201 + (NN) -5215 + (LL) 12800
1D Compatibility (HY) -34000 + (ID) 11600
Total energy: -217935.0 ( -106.21 by residue)
QMean score : 0.269

(partial model without unconserved sides chains):
PDB file : Tito_2WPK.pdb:





(Unconserved sides chains are recalculated) :
Sequence: align-2WPK-query.scw
PDB file : Tito_Scwrl_2WPK.pdb: