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


Input alignment information:
Query sequenceMAATSLLRTSTTCPVDFEPPLPHSARSLQPVEGVPGAYLLAPVLSRGECEQLIAASEALGYAPKKSRRAGPPIRTNTRLLYEAHAGLSETLTQRMRPHLEAIDVSSVGQWRLAAGSRLLNERWRMNRYAAGEQFFPHFDTGYALGRDCRSLLSIILYLNDDFGEGETVFFPGGQTRDHMLPGDEDAREVRIRPTAGTALVFHHFGPLNPRHSGLAPIPDPRPKYVIRTDVFYTRTPPSGSATLFGRSPGAHRCVVLLGPPGAGKSTQLRQVSQALGYTGIDFGHCVRTELARSSELGARIQQFRRKRAALQDAAFGATTGAQRRPAGWLPDALSLELLERQLGPLGPTAGLVLDGFPRMRSQSNFLEGNRWEVLAAVHLKVD--------DATRAERLQGRTLDPATGQPFHSRHVPPGSESAVTRRPEDAPESVKARMVDWEQDTHPLLEHYAKRGVAVEVDGSGSPEAVTRAILHSLSRRLLEEATPLFPAPLAELLRDASTDGVNHSSHLDSLVFRYQPPSGAALYLKLAPPWGAPLKAEATFLSSESARQLALQVPVLRGLFTLGEDVQALLTEELSGTSAKQAAQACTHDPERARLVHNLAEALRTFHRAPPPGGMTDYAIPVLLRRARERLNRGEVPSRNFTAKYGPPLEGPEALARELDRLERAAQALAEGPRVLLHGDPCLPNFRVDSHGAFTGCLDLSGVGSGDRYWDLALAHWSVQHNLGERWAEAFLGACCGEHLDPDRLSFFAGLRRFLV
4JLA Chain:B ((3-199))-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------LVFLGPPGAGKGTQAKRLAKEKGFVHISTGDILREAVQKGTPLGKKAKEYM-ERGEL------------------VPDDLIIALIEEVFPKHG---NVIFDGFPRTVKQAEALD----EMLEKKGLKVDHVLLFEVPDEVVIERLSGRRINPETGEVYHVKYNPPPPGVKVIQREDDKPEVIKKRLEVYREQTAPLIEYYKKKGILRIIDASKPVEEVYRQVL----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------


General information:
TITO was launched using:
RESULT:

Template: 4JLA.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 : 835 -25392 -30.41 -134.35
target 2D structure prediction score : 0.69
Monomeric hydrophicity matching model chain B : 0.58

3D Compatibility (PKB) : -30.41
2D Compatibility (Sec. Struct. Predict.) : 0.69
1D Compatibility (Hydrophobicity) : 0.58
QMean score : 0.112

(partial model without unconserved sides chains):
PDB file : Tito_4JLA.pdb:





(Unconserved sides chains are recalculated) :
Sequence: align-4jla-query.scw
PDB file : Tito_Scwrl_4JLA.pdb: