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


Input alignment information:
Query sequenceMRFEKFTNRLQQALSDAQSLAMGKDHTAIAGIHILSTLLEEPSNISLLQQAGARLPELKQKLEQALKDAPTIANPTGDVNLNPEAVKALNLADRYAQKAGDEFLSTDWVLLGLAETGETKNILSAVGVTPDSLRKVIENIRGSDKVMSNNHEDQRDSLNKYTIDLTERALSGKLDPVIGRDDEIRRTIQVLSRRTKNNPVLIGEPGVGKTAIVEGLAQRIVNGEVPEGLKNKRVLSLDLGSLLAGAKYRGEFEERLKAVLKDLAKHEGEIILFIDELHTLVGAGKGDGAMDAGNMLKPALARGELRCVGATTLDEYRQYIEKDAALERRFQKVLVDEPSVEDTIAILRGLKEKYATHHGVQILDSAIIAAAKMSHRYITDRQLPDKAIDLIDEAASRIKMEIDSKPEALDKLDRRLIQLKMQLEAVKKDEDAGS--KAEVTHLEKQIAEVEKEYNDLEEVWKAEKTLVEGTKQAQVELDKARIAFEKAQREGDLAEAARLQYGVIPELQKQLEQDEVAEENEEPKLIRTKVTENEIAEVVSAATGIPVAKMMQGEREKLLHMEEFLHDRVVGQDEAVVAVSNAVRRSRAGLSDPNRPSGSFLFLGPTGVGKTELTKALANFLFDSDDAMIRIDMSEFMEKHSVSRLVGAPPGYVGYEEGGVLTEAVRRKPYSVVLFDEVEKAHPDVFNILLQVLDDGRLTDSQGRVVDFKNTVIVMTSNLGSQDVRELGEGATDDEVRTIVMNAVSQHFRPEFINRIDELVIFHSLKKVQIRGIADIQLDRLRSRL--VDRDMSLTVDDSAFDLLIDAGFDPVYGARPLKRAIQQQVENTLAQKILSGDFVAGDTILVKGENGHLVFDKLKLS
5KNE Chain:E ((160-852))-----------------------------------------------------------------------------------------------------------------------------------------------------------EYLSKYAIDMTEQARQGKLDPVIGREEEIRSTIRVLARRIKSNPCLIGEPGIGKTAIIEGVAQRIIDDDVPTILQGAKLFSLDLAAL-------GDFEERFKGVLKEIEESKTLIVLFIDEIHMLMGN----AA----NILKPALSRGQLKVIGATTNNEYRSIVEKDGAFERRFQKIEVAEPSVRQTVAILRGLQPKYEIHHGVRILDSALVTAAQLAKRYLPYRRLPDSALDLVDISCAGVAVARDSKPEELDSKERQLQLIQVEIKALERDEDADSTTKDRLKLARQKEASLQEELEPLRQRYN--------------------------------------------------------------SMIQNVVDSDTISETAARLTGIPVKKLSESENEKLIHMERDLSSEVVGQMDAIKAVSNAVRLSRSGLANPRQPA-SFLFLGLSGSGKTELAKKVAGFLFNDEDMMIRVDCSELSEKYAVSKLLGTT-----YDEGGFLTNQLQYKPYSVLLFDEVEKAHPDVLTVMLQMLDDGRITSGQGKTIDCSNCIVIMTSNLGAEFINSQQGSKIQESTKNLVMGAVRQHFRPEFLNRISSIVIFNKLSRKAIHKIVDIRLKEIEERFEQNDKHYKLNLTQEAKDFLAKYGYSDDMGARPLNRLIQNEILNKLALRILKNEIKDKETVNV---------------


General information:
TITO was launched using:
RESULT:

Template: 5KNE.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output 		Monomeric PKB - chain E - contact count / total energy / energy per contact / energy per residue : 2881 -17210 -5.97 -28.40
target 2D structure prediction score : 0.65
Monomeric hydrophicity matching model chain E : 0.78

3D Compatibility (PKB) : -5.97
2D Compatibility (Sec. Struct. Predict.) : 0.65
1D Compatibility (Hydrophobicity) : 0.78
QMean score : 0.492

(partial model without unconserved sides chains):
PDB file : Tito_5KNE.pdb:





(Unconserved sides chains are recalculated) :
Sequence: align-5KNE-query.scw
PDB file : Tito_Scwrl_5KNE.pdb: