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



Input alignment information:
Query sequenceMENRQEVQELTLEEVMGDRFGRYSKYIIQERALPDIRDGLKPVQRRILFAMNKDGNTYDKGFRKSAKSVGNIMGNYHPHGDSSIYEAMVRMSQDWKLREVLIEMHGNNGSMDGDPPAAMRYTEARLSKLSGEMLADIEKETVDLVWNFDDTEKEPTVLPARYPNLLVNGSTGISAGYATEIPTHNLAEVIDGTIYMIDHPQASLEKLMEYIPGPDFPTGGILQGKDEIKKAYETGRGKVILRSKTKIEAMKGNKQQIVITEIPYEVNKATLVKKMDEIRLNKKIDGIAEVRDESDRTGLQIVVELKKDANAQGILNYLFKNTELQINYNFNMVAIDHMTPHQVGLKDILRSYIEHRKQVITKRSQFDLAKAQKRQHIVEGLMKALSILDEVIATIRESKDKKDAKKNLVDVFQFTEEQAEAIVTLQLYRLTNTDITELQKESESLIAQITELNKILSNDKELFSVMKKELREVKKNYSSARLTTIEDEIEEIKIDTQVLVAQEDVIVSVTREGYVKRTSLRSYSASKPEEIGMREGDYLLYSGELSTLDHVLLITNKANVIYRPVHELPDLKWKDAGEHISQTISNLSVDESILAVFPYQKIQAEKTFVFISKNGLIKQTRMTEFEPWRTYKSRPLSCMKLKAEEDELIAVYLKEDQPGLDVFLVTHQGMGLRYPLTDVPVVGAKAAGVKSMNLKDGDRIINGLLVLAEGDTPIVIVTQRGAVKRMLAQEISQTSRAKRGVTVMRELKKNPHRIIYMSEGRSKEITLMNQKGQQLTIDPTDFPIGDRTSNGSFAMDEKKGGEVIEVIDAPEIFIES
3RAF Chain:B ((4-484))------IQNMSLEDIMGERFGRYSKYIIQDRALPDIRDGLKPVQRRILYSMNKDSNTFDKSYRKSAKSVGNIMGNFHPHGDSSIYDAMVRMSQNWKNREILVEMHGNNGSMDGDPPAAMRYTEARLSEIAGYLLQDIEKKTVPFAWNFDDTEKEPTVLPAAFPNLLVNGSTGISAGYATDIPPHNLAEVIDAAVYMIDHPTAKIDKLMEFLPGPDFPTGAIIQGRDEIKKAYETGKGRVVVRSKTEIEKLKGGKEQIVITEIPYEINKANLVKKIDDVRVNNKVAGIAEVRDESDRDGLRIAIELKKDANTELVLNYLFKYTDLQINYNFNMVAIDNFTPRQVGIVPILSSYIAHRREVILARSRFDKEKAEKRLHIVEGLIRVISILDEVIALIRASENKADAKENLKVSYDFTEEQAEAIVTLQLYRLTNTDVVVLQEEEAELREKIAMLAAIIGDERTMYNLMKKELREVKKKFATPRLSSLED-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------


General information:
TITO was launched using:
RESULT:

Template: 3RAF.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 2296 -131813 -57.41 -274.04
target 2D structure prediction score : 0.68
Monomeric hydrophicity matching model chain B : 0.77

3D Compatibility (PKB) : -57.41
2D Compatibility (Sec. Struct. Predict.) : 0.68
1D Compatibility (Hydrophobicity) : 0.77
QMean score : 0.523

(partial model without unconserved sides chains):
PDB file : Tito_3RAF.pdb:





(Unconserved sides chains are recalculated) :
Sequence: align-3RAF-query.scw
PDB file : Tito_Scwrl_3RAF.pdb: