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



Input alignment information:
Query sequenceMAETHTAIVFFAGDRAYKVKKAVDLGFVDYTDRQARRAACVREVALNRRFAPDVYLGVGEVVAPDAEVSEPLVVMRRMPAGRRLSALVRAGADVDEVLRAVARRLAAWHATAPRGRDVDEQGTRDALASRWEASFEQVRATTEGGSGFDGVPEVQRLVRRYLAGREALFDSRIEQRRVVDGHGDLLAEDIFCLDDGPRVLDCLEFDDHLRYVDGLDDAAFLAMDLEQLGAPAAAARFLARYGEYSGDPAPPSLWHHYVAYRAFVRAKVSLIQAEQGAPGVRSAARRLVSTTLRHLRTSAVGLTLVGGLPGSGKSTLSGALADRL---GV--TLLSSDRLRKELAGIPPESPAPAAYEEGLYTPEWTARTYDILLDRAAALLSRGESVVLDATWSAAELRAAAGRVAERTCADLVALHCQVPDEVAAARLSTRSPGP-SDADLGVADALAAREPPW-PDAVVVDTSG-PLESAVSRALAAVRPWGTDQAPVFRRPSAEPDQDRGAGSSLP
2PEZ Chain:A ((4-176))----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------RGCTVWLTGLSGAGKTTVSMALEEYLVCHGIPCYTLDGDNIRQGLNKNLGFS------------PEDREENVRRIAEVAKLFADAGLVCITSFISPYTQDRNNARQIHEGASLPFFEVFVDAPLHVCEQRDVKGLYKKARAGEIKGFTGIDSEYEKPEAPELVLKTDSCDVNDCVQQVVELLQER--------------------------


General information:
TITO was launched using:
RESULT:

Template: 2PEZ.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 : 813 19468 23.95 117.99
target 2D structure prediction score : 0.67
Monomeric hydrophicity matching model chain A : 0.59

3D Compatibility (PKB) : 23.95
2D Compatibility (Sec. Struct. Predict.) : 0.67
1D Compatibility (Hydrophobicity) : 0.59
QMean score : 0.172

(partial model without unconserved sides chains):
PDB file : Tito_2PEZ.pdb:





(Unconserved sides chains are recalculated) :
Sequence: align-2pez-query.scw
PDB file : Tito_Scwrl_2PEZ.pdb: