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



Input alignment information:
Query sequenceMKLKTKASIKFGICVGLLCLSITGFTPFFNSTHAEAKSIEDTNMASCITNKKFVQLEKKFDARLGVYAIDIGSNKTIAYRPNERFAYASTYKVLAAAAVLKKNSIEKLNEVIHYSKDDLVTYSPITEKHLDTGMSLKEISEAAIRYSDNTAGNILLQQLGGPKGFEKSLKQIGDHVTKAKRFETDLNSAIPGDIRDTSTAKALATDLKAFTLDNTLTTDKRMILTDWMRGNATGDELIRAGAPIGWEVGDKSGAGSYGTRNDIAIVWPPNRAPIVVAILSNRFTKDANYDNALIAEAAKVVLNDLK
4A5R Chain:B ((8-260))----------------------------------------------------FAKLEEQFDAKLGIFALDTGTNRTVTYRPDERFAFASTIKALTVGVLLQQKSIEDLNQRITYTRDDLVNYNPITEKHVDTGMTLKELADASLRYSDNTAQNLILKQIGGPESLKKELRKIGDEVTNPERFEPELNEVNPGETQDTSTARALATSLQAFALEDKLPSEKRELLIDWMKRNTTGDALIRAGVPEGWEVADKTGAGSYGTRNDIAIIWPPKGDPVVLAVLSSRDKKDAKYDDKLIAEATKVVVKAL-


General information:
TITO was launched using:
RESULT:

Template: 4A5R.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 : 1535 -81806 -53.29 -323.34
target 2D structure prediction score : 0.59
Monomeric hydrophicity matching model chain B : 0.85

3D Compatibility (PKB) : -53.29
2D Compatibility (Sec. Struct. Predict.) : 0.59
1D Compatibility (Hydrophobicity) : 0.85
QMean score : 0.522

(partial model without unconserved sides chains):
PDB file : Tito_4A5R.pdb:





(Unconserved sides chains are recalculated) :
Sequence: align-4A5R-query.scw
PDB file : Tito_Scwrl_4A5R.pdb: