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


Input alignment information:
Query sequenceMQSNRENQAEALLNHVNRYQAGRLTVFLGAAPGVGKTYAMLARAKELFQQGTDVVVGIVETHGRIETLKILEGLPQIARKEMQYQRHTLEEMDLDAILLRHPQIVLVDELAHRNVPNSRHERRWQDVNELLDAGIDVFTTINIQHLESLNDVVYQITGIRVNETVPDRVFDRIRDIRLIDLPVSELIERLHQGKVYVPEQANLALQGFFSISNLTALRELAMQCVAEHVDSDLKESYASKGLKSISLQNELMIAIDGQGSSEYLVRAGCRLAERNGAIWTVVNVARSLDFGQSSGNSYKKEYIEIDRAFELARQLGGRTEVLYGHRVASVLMDAAVDRGISNLVIGKSISPWWLKLFKKNLAQQLLNQENSIALTILHPEQGTKKINQLEKPSFLSLKESVFVLAVTCASIFIAHFAEVLFGIEDFSVIFIISVLIVATKTRMLAAVVAALICFLAYNFFFIAPRYTFQISAHQGVVTVVAFFAAALIAGRLASQLRQQVLSLKAANAYTTVMQDLARKLSSAVNLEEVMQTGRMTLETQLQTKVWISIRDKVISSDIELNDKEKVTAEWCLKHRQPCGRFTDTLSQSNWCFLPLLEQKNSLGIVGIYFKDELVSLNFEQKKLTESVIEYIAQAVLRTQLVDELEQAKVISETERLRSALLSSVSHDLRSPLASIIGAADTLAHFKAEMTEQDQQDLLETIHLEGERLDRYIQNLLDMTRLGHEGLTLKRDWVGVDELIGSATRRLKRYKPDTQVVVQLPEQQISLYVHPALVEQAIFNVLENAANFSPPDEPVMIRAQLSSEDEVKIEIEDRGAGIPEDERHRIFDIFYTMERGDRGKFGTGLGLTIVKAIIGAHMGTIEAFSGRQNKGTLIQIKLPLHPVKE
4KP4 Chain:B ((9-225))-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------ADDRTLLMAGVSHDLRTPLTRIRAYAETIYNSLGELDLSTLKELAESINKDIEECNAIIEQFIDYLRTGQ---EMPMEMADLNAVLGEVIAAESGY--EREIETALYPGSIEVKMHPLSIKRAVANMVVNAARYGN--GWIKVSSGT-EPNRAWFQVEDDGPGIAPEQRKHLFQPFVRGDSA-RTISGTGLGLAIVQRIVDNHNGMLELGT-SERGGLSIRAWLPVP----


General information:
TITO was launched using:
RESULT:

Template: 4KP4.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 : 933 -94400 -101.18 -435.02
target 2D structure prediction score : 0.73
Monomeric hydrophicity matching model chain B : 0.56

3D Compatibility (PKB) : -101.18
2D Compatibility (Sec. Struct. Predict.) : 0.73
1D Compatibility (Hydrophobicity) : 0.56
QMean score : 0.524

(partial model without unconserved sides chains):
PDB file : Tito_4KP4.pdb:





(Unconserved sides chains are recalculated) :
Sequence: align-4KP4-query.scw
PDB file : Tito_Scwrl_4KP4.pdb: