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



Input alignment information:
Query sequenceMKGAAFVKKEGLKQKALEIGRVPTHLKLEIEDYGGDDKRAHFCWADPQDENTGIIVELGPDGELESLSRDIEPESGERLSEEKLEDIMRQFVETHHPGALSAFVREENDRAYGDKVRFSYVQMEAGLPLPMSGFMADVSLSGEIVYFRYYGEAGSIIKPKRVADVEEALAFIKKDVEFDLLFEVLHRSVYKNGDDQPHLVYEPEGRAITVPADLVQEEQAVDDDDDYREPESFPLPLFEGIREKADPDSMIGIENGFVKEREADLGDGRIGIVWRNPDDPVYQPADKSMDSWFKGRTHQVLKTIYNKETGKLEGVMSFMEKKGPLTVTLAECEKIALRFLFALFPNA-DQYFRIRYDEKDEEENAVAGFTFEAHCHGVPLRFGQIRICVSRQTGYITVYMGPDIDPNKLATIDPVPAISVEQAKSIFWQHF-------------KVELGWEREYGDDEEHSYRLVYKPVYP----------HFIDAHTGEPVFSIW
3NQZ Chain:A ((11-174))---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------TINNMVQSN-----SVS-PNQLIGLSVGNELVVLKEFT--SNNGEVTRRYQQTYQGIPVIGDTVSLTFN--NGMLKKAHGAAVYNIDEDLSDVSAKLTKKDAILKGSKTGIAAKSVGLKKHNEQSRLAIWVDD----QNKAHLVYEVSYVTYGKSPSRPYLIIDANTGEVLLS--


General information:
TITO was launched using:
RESULT:

Template: 3NQZ.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
Monomeric PKB - chain A - contact count / total energy / energy per contact / energy per residue : 600 -63795 -106.33 -472.56
target 2D structure prediction score : 0.60
Monomeric hydrophicity matching model chain A : 0.58

3D Compatibility (PKB) : -106.33
2D Compatibility (Sec. Struct. Predict.) : 0.60
1D Compatibility (Hydrophobicity) : 0.58
QMean score : 0.353

(partial model without unconserved sides chains):
PDB file : Tito_3NQZ.pdb:





(Unconserved sides chains are recalculated) :
Sequence: align-3NQZ-query.scw
PDB file : Tito_Scwrl_3NQZ.pdb: