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


Input alignment information:
Query sequenceMSNWDTKFLKKGFTFDDVLLIPAESHVLPNDADLTTKLADNLTLNIPIITAAMDTVTESQMAIAIARAGGLGVIHKNMSIAQQADEVRKVKRSENGVIIDPFFLTPEHTIAEADELMGRYRISGVPVVETLENRKLVGILTNRDLRFISDYNQPISNHMTSENLVTAPVGTDLATAESILQEHRIEKLPLVDEEGSLSGLITIKDIEKVIEFPNAAKDEFGRLLVAGAVGVTSDTFERAEALFEAGADAIVIDTAHGHSAGVLRKIAEIRAHFPDRTLIAGNIATAEGARALYEAGVDVVKVGIGPGSICTTRVIAGVGVPQVTAIYDAAAVAREYGKTIIADGGIKYSGDIVKALAAGGNAVMLGSMFAGTDEAPGETEIFQGRKFKTYRGMGSIAAMKKGSSDRYFQGSVNEANKLVPEGIEGRVAYKGAAADIVFQMIGGIRSGMGYCGAANLKELHDNAQFIEMSGAGLKESHPHDVQITNEAPNYSM
5UPY Chain:A ((95-362))----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------GGLLAAAAVGITNDTFVRVEKLIEAGVDAIVIDTAHGHSAGVINKISEIRQTFKDVVIVAGNVATAEGARALFEVGVDIVKVGIGPGSICTTRVVAGVGVPQITAIYDCATVAREFGKTIIADGGIKYSGDIVKALAAGGNAVMLGSMLAGTDESPGETEIFQGRQFKTYRGMGSLAAMEHG--------------KLVPEGIEGRVPYKGSVADIIFQLVGGIRSGMGYTGSPDLRHLREEAAFVRMTGAGLRESHPHDIQITKEAPNYS-


General information:
TITO was launched using:
RESULT:

Template: 5UPY.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 : 1179 -128539 -109.02 -500.15
target 2D structure prediction score : 0.71
Monomeric hydrophicity matching model chain A : 0.75

3D Compatibility (PKB) : -109.02
2D Compatibility (Sec. Struct. Predict.) : 0.71
1D Compatibility (Hydrophobicity) : 0.75
QMean score : 0.486

(partial model without unconserved sides chains):
PDB file : Tito_5UPY.pdb:





(Unconserved sides chains are recalculated) :
Sequence: align-5UPY-query.scw
PDB file : Tito_Scwrl_5UPY.pdb: