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



Input alignment information:
Query sequenceMKIKKFTAASMQEAALLIRKELGNEAVILNSKKIKKRKWFGLVNKPAVEVIAVLDQDFLEKKTPQKAAEPKQTLKTPVSSPKIEERTYPPQIPAQQELGDFSAYQSVLPEPLRKAEKLLQETGIKESTKTNTLKKLLRFSVEAGGLTEENVVGKLQEILCDMLPSADKWQEPIHSKYIVLFGSTGAGKTTTLAKLAAISMLEKHKKIAFITTDTYRIAAVEQLKTYAELLQAPLEVCYTKEEFQQAKELFSEYDHVFVDTAGRNFKDPQYIDELKETIPFESSIQSFLVLSATAKYEDMKHIVKRFSSVPVNQYIFTKIDETTSLGSVFNILAESKIGVGFMTNGQNVPEDIQTVSPLGFVRMLCR
2PX0 Chain:B ((39-296))------------------------------------------------------------------------------------------------------------PEPLRKAEKLLQETGIKESTKTNTLKKLLRFSVEAGGLTEENVVGKLQEILCDMLPSADKWQEPIHSKYIVLFGSTGAGKTTTLAKLAAISMLEKHKKIAFITTDTYRIAAVEQLKTYAELLQAPLEVCYTKEEFQQAKELFSEYDHVFVDTAGRNFKDPQYIDELKETIPFESSIQSFLVLSATAKYEDMKHIVKRFSSVPVNQYIFTKIDETTSLGSVFNILAESKIGVGFMTNGQNVPEDIQTVSPLGFVRMLCR


General information:
TITO was launched using:
RESULT:

Template: 2PX0.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 : 1265 -159112 -125.78 -616.71
target 2D structure prediction score : 0.69
Monomeric hydrophicity matching model chain B : 0.86

3D Compatibility (PKB) : -125.78
2D Compatibility (Sec. Struct. Predict.) : 0.69
1D Compatibility (Hydrophobicity) : 0.86
QMean score : 0.666

(partial model without unconserved sides chains):
PDB file : Tito_2PX0.pdb:





(Unconserved sides chains are recalculated) :
Sequence: align-2PX0-query.scw
PDB file : Tito_Scwrl_2PX0.pdb: