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


Input alignment information:
Query sequenceMAQSAQIQDIYPLSHMQEGMLFHSLMDFSSKAYIEQTSFTITGNLCVDSFQKSLNLLVSRYDIFRTIFIKEVPDLTGPQQVVLSNRELTVYREDISRLADQEQQTLIDAFMTKDREKGFDLQKDPLMRLALFDRGDSQYTCVWTHHHIIMDGWCLGIILKEFFSMYDSLKNNSPVQLGSTVPYSRYIEWLGEQDQEETAAYWSEYLKEYGNTASIPRIKRRTADGNYKADQVSFSLAPDMVEKLTEAAQNWGVTLNTLFMSIWGVLLHRYNAADDAVFGSVISGRPSAIDGIESMVGLFINTVPVRIRSAEGITFSSLVKAVQEDILSSEQHGYYPLYEIQNHSPLKQGLIDHIFVFENYPVQLHQALSVESENDEGALKLSDISMSEQTNYDFNIVIVPGESFYIKFSYNADVYEREEMLRIQGHLKQALDCILTNPDVAVSDINIVPPEEQQVIQLFNETERPYVNKTIPQLFEEQAHKTPEAAALKMGNECWTYRQLQVRANQIAHALIEKGVGSGDIVAVMMGRSMEMPAALLGIWKAGGAYMPLDPHFPAERLSFLLKDSQAAQLLIEEDLISLIPPSYEGNTITIEHTESYQTEAPNMPPGDLAYLIYTSGTTGRPKGVLVDHHGIANTLQWRREEYSMTEQDISLHLFSYVFDGCVTSLFTPLLSGACVLLTTDDEAKDVLALKRKIARYKVSHMIIVPSLYRVLLEVMTADDAKSLRIVTFAGEAVTPDLLELNQIICPSAELANEYGPTENSVATTILRHLNKKERITIGHPIRNTKVFVLHGNQMQPIGAAGELCISGAGLARGYYKQQELTQKAFSDHPFLEGERLYRTGDAGRFLPDGTIEYIGRFDDQVKIRGYRIELREIETVLRQAPGVKEAAVLARDVSAEEKELVAYIVPEKGNSLPDLYQHLAGTLPSYMIPASIINISQMPLTSSGKLDRFALPEPENNTSVTYMAPRTLIEADLAHIWEDVLNKQHIGIRDDFFQLGGQSLKAAALVSRIHKKLNVELPLSEVFSYPTVESMAVKLMSLKEHAFTQIEPADQRDVYPLSFSQKRLYALHQLADDSTGYNMPAVLELRGNLNRQRLRSVLTELVNRHEALRTVFVLDRDEPVQIIYPEMAFDLKELEMESEQMLESAIETFIKPFYLSSGPLFRACVITMGNNRGFLLLDMHHIIADGVSMSTLVQEFTDLYCGKELPALNLHYKDFAVWQQEKHPKELYKKQEAYWLGQLGGSLPTLELPLDKTRPRLPDFRGGTIEVNIDKDMADELHRLMAETGTTLYMILLAVYSILLSKLSGQEDIVVGSPAAGRPHADLERVIGMFVNTLAMRSKPEGHKTFSSYLHDIRHLALTAYEHQDYPFEELADKLDTNREVNRNPLFDAMLVLQSSEDFRFEVPGLSISSVTPKHDISKFDLTLHAEEHLSGIRCRFEYSTALFEEETITQWASYFIELVKGVTADTEMRISNMQLLPAAERRLLLEKMGQYAAYPRNENIVSLFEKQVAQYPEHIAVVCGHSQLTYRDLNEKAERAAAMLIKQGVRTGDIVGLMLDRSPDMIIGVLSILKAGGAYLPIDPEYPKERISFMLNDSGAKLLLTERGLNKPADYTG-HILYIDECENNSIPADVNIEEIVTDQPAYVIYTSGTTGQPKGVIVEHRNVISLLKHQNLPFEFNHEDVWTLFHSYCFDFSVWEMFGALLNGSTLVVVSKETARDPQAFRLLLKKERVTVLNQTPTAFYGLMLEDQNHTDHLNIRYVIFGGEALQPGLLQSWNEKYPHTDLINMYGITETTVHVTFKKLSAADIAKNKSNIGRPLSTLQAHVMDAHMNLQPTGVPGELYIGGEGVARGYLNRDELTADRFVSNPYL--PGDRLYRTGDLAKRLSNGELEYLGRIDEQVKVRGHRIELGEIQAALLQYPMIKEAAVITRADEQGQTAIYAYMVIKDQQAANISDIRTYLKNALPDFMLPARMIQIDSIPVTVNGKLDQKALPEPEKQAYTADDISPRNEIETVMAEIWEELLNVDELGVSANFFKLGGDSIKALQVCARLKQRGFETTVREMFEHQTLGELSARVRKDVRAIDQGPVEGEITWTPIQQWFFSQSLESHHFNQSVMIYRAERFDEAALRKVLKSLVTHHDALRIVCRHEDGRQVQINRGIDLSDEELYALELFDVKDSLTEARNTIEEAASRMQEHIRLETGPLLHAGLFRTENGDHLFLTIHHLVVDAVSWRILFEDFSTAYKQAVSGESIKLPQKTDSYLTYSQRIADYSISRQVQREAAYWDECENRHIQPIPKDNDAASNTFKDTEVIDFELSRHHTELLLTAAHKAYSTEMNDILLTALGLALQKWTGNNQFKISMEGHGRESYLEDIDISRTVGWFTSIYPVWLDMRDSDHKDKEERLGHLIKQTKDMLHRIPHKGAGYGVLKYISKRWGSQKNSPEISFNYLGQFDQDIQSNAFEVSDIKPGNEISPNWERPYALDISGAVSSGCLNMHIIYNRFQFEEKTIQTFSRHFKQTLENIIEHCTGKENQEWSASDFTDEDLTLDELSEIMGAVNKL
4GR5 Chain:D ((72-467))--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PAGACVHELFEAQAARAPDAVALLHEADELTYGALNERANRLAHRLVGLGVAPGTLVGVHLERGFDMVVALLAVLKAGGGYTMLDPQFPVERLALSLEDTGAPLLVTSRPLS--GRLTGTTTLYVED-------AGNLATGVGPEDVACVMFTSGSTGRPKGVMSPHRALTGTYLGQDYA-GFGPDEVFLQCSPVSWDAFGLELFGALLFGARCVLQSGQNP-DPLEIGELVARHGVTMLQLSASLFNFLV--DEVPEAFEGVRYAITGGEPASVPHVAKARRDHPALRLGNGYGPAESMGFTTHHAVVAGDLSGTALPIGVPLAGKRAYVLDDDLKPAANGALGELYVAGAGLAHGYVSRPALTAERFVADPFAGPGGERMYRTGDLARRRADGVLEYVGR-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------


General information:
TITO was launched using:
RESULT:

Template: 4GR5.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output 		Monomeric PKB - chain D - contact count / total energy / energy per contact / energy per residue : 2368 -150798 -63.68 -390.67
target 2D structure prediction score : 0.62
Monomeric hydrophicity matching model chain D : 0.55

3D Compatibility (PKB) : -63.68
2D Compatibility (Sec. Struct. Predict.) : 0.62
1D Compatibility (Hydrophobicity) : 0.55
QMean score : 0.508

(partial model without unconserved sides chains):
PDB file : Tito_4GR5.pdb:





(Unconserved sides chains are recalculated) :
Sequence: align-4GR5-query.scw
PDB file : Tito_Scwrl_4GR5.pdb: