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


Input alignment information:
Query sequenceMFVDQVKVYVKGGDGGNGMVAFRREKYVPKGGPAGGDGGKGGDVVFEVDEGLRTLMDFRYKKHFKAIRGEHGMSKNQHGRNADDMVIKVPPGTVVTDDDTKQVIADLTEHGQRAVIARGGRGGRGNSRFATPANPAPQLSENGEPGKERYIVLELKVLADVGLVGFPSVGKSTLLSVVSSAKPKIADYHFTTLVPNLGMVETDDGRSFVMADLPGLIEGAHQGVG--LGHQFLRHIERTRVIVHVIDMSGLEGRDPYDDYLTINQELSEYNLRLTERPQIIVANKMDMPE---AAENLEAFKEKLTDDYPVFPISAVTREGLRELLFEVA----NQLENTPEFPLYDEEELTQNRVMYTMENEEVPFNITRDPDGVFVLSGDSLERLFKMTDFSRDESVKRFARQMRGMGVDEALRERGAKDGDIIRLLEFEFEFID
3K53 Chain:A ((2-180))------------------------------------------------------------------------------------------------------------------------------------------------------------VLKTVALVGNPNVGKTTIFNALTGLRQHVGNWPGVTVEKKEGIMEYRE-KEFLVVDLPGIYSLTAHSIDELIARNFILD-GNADVIVDIVDSTCL----MRNLFLTL--ELFEMEV----KNIILVLNKFDLLKKKGAKIDIKKMRKEL--GVPVIPTNAKKGEGVEELKRMIALMAEGKVTTNPIIPRYDED----------------------------------------------------------------------------------------


General information:
TITO was launched using:
RESULT:

Template: 3K53.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 : 849 -29569 -34.83 -173.93
target 2D structure prediction score : 0.49
Monomeric hydrophicity matching model chain A : 0.66

3D Compatibility (PKB) : -34.83
2D Compatibility (Sec. Struct. Predict.) : 0.49
1D Compatibility (Hydrophobicity) : 0.66
QMean score : 0.375

(partial model without unconserved sides chains):
PDB file : Tito_3K53.pdb:





(Unconserved sides chains are recalculated) :
Sequence: align-3K53-query.scw
PDB file : Tito_Scwrl_3K53.pdb: