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


Input alignment information:
Query sequenceMKPVIALIGRPNVGKSTLFNQITKSRDALVADFAGLTRDRKYGDATYQNKSFIVVDTGGIGESEGGIDNYMAEQSKTAINEADIIIFVVDARAGLLASDEQIARELRTLGKKIYLVANKVDGVHAEAALVEFYKLGLGEPLQVAASHGRGVQQMLEDVLQDIPEDENPEEHDKDTGLRLAIIGRPNVGKSTLVNRLLGEDRVVAFDQPGTTRDSIYIPFEREGRKYTLIDTAGVRRKGKVDEMIEKFSIVKTLQAMKDAHVVVVVVDAREGIVEQDLHLIGYALEAGRAMVIAINKWDNMSEYDRKQCKLDVERRFDFIPWARIHLISALHGTGVGELYPSIHRAYESANLKVSPAKLTQILNDATDQHQPPTVQGRRIKMRYAHMGGQNPPTIVIHGNKVDKTPADYRRYLENVFRKVYKLEGTPVKIEFKTSENPFEGRKSQVDERTAARRRRYIQKFKKAEKKFKR
4KYU Chain:B ((3-161))-KPVVAIVGRPNVGKSTIFNRIA-----------------IYSSAEW-NYDFNLIDTGGIDIGDEPFLAQIRQQAEIAMDEADVIIFMVNGREGVTAADEEVAKILYRTKKPVVLAVNKLDNTEMRANIYDFYSLGFGEPYPISGTHGLGLGDLLDAVAE---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------


General information:
TITO was launched using:
RESULT:

Template: 4KYU.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 : 739 -104684 -141.66 -742.44
target 2D structure prediction score : 0.70
Monomeric hydrophicity matching model chain B : 0.65

3D Compatibility (PKB) : -141.66
2D Compatibility (Sec. Struct. Predict.) : 0.70
1D Compatibility (Hydrophobicity) : 0.65
QMean score : 0.755

(partial model without unconserved sides chains):
PDB file : Tito_4KYU.pdb:





(Unconserved sides chains are recalculated) :
Sequence: align-4KYU-query.scw
PDB file : Tito_Scwrl_4KYU.pdb: