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


Input alignment information:
Query sequenceMRTEQPKVIHLKDYQAPDYLIDETHLKFELFEDHSLVHAELKLRRNPERGAGLPPLLLHGQQLELLALELDGQALGADDYQLDDEQLGVQPRQAEFVLRSTVRIHPESNTALEGLYKSGKMFCTQCEAEGFRKITYYLDRPDVMSRFTTTVSAEQQRYPVLLSNGNPVASGSEGNGRHWATWEDPFKKPAYLFALVAGDLWCVEDSFRTMSQRDVALRIYVEPENIDKVQHAMDSLKKSMRWDEEVYGREYDLDIFMIVAVNDFNMGAMENKGLNIFNSSCVLARAETATDAAHQRVEGVVAHEYFHNWSGNRVTCRDWFQLSLKEGFTVFRDSEFSADMNSRTVKRVEDVAFLRTNQFAEDAGPMAHPVRPDSFIEISNFYTLTVYEKGSEVVRMIHTLLGAEGFRKGSDLYFQRHDGQAVTCDDFVKAMEDANGVDLTQFKRWYSQSGTPRLAVEGEYDAAARRYTLTVRQSCPPTPGQPSKEPFVIPLELGLLDGQGHELPLRLEGEAVAQGGNRVLAVTEAEQRFVFVEVPEQPLPSLLRGFSAPVKLSFPYSRDQLLFLMQHDSDGFNRWEAGQQLSVQVLQELIGQHQRGEQLVLDPRLIEAYRTLLADEALDQAMVAEMLSLPSEAYLTEISEVADVDAIHAAREFARQRIGEALFEPLWQRYQANRKISRDTAYLAEASHIARRSLQNIALSYLSLSGREEILAACL--EQYEGCDNMTERLTALAVLVNSGFEAEKGKALAMFADYFKDDPLVMDQWFSVQAGSPLPGGLERVQELMQHPAFTLKNPNKVRALIGAFANQNLVNFHRPDGAGYRFLADQVIVLNALNPQIASRLLVPLTRWRKYDEARQALMRGELERILASGELSSDVYEVVSKSLA
3PUU Chain:A ((26-891))-----PQAKYRHDYRAPDYQITDIDLTFDLDAQKTVVTAVSQAVRH---GASDAPLRLNGEDLKLVSVHINDEPWTA--WKEEEGALVISNLPERFTLKIINEISPAANTALEGLYQSGDALCTQCQAEGFRHITYYLDRPDVLARFTTKIIADKIKYPFLLSNGNRVAQGELENGRHWVQWQDPFPKPCYLFALVAGDFDVLRDTFTTRSGREVALELYVDRGNLDRAPWAMTSLKNSMKWDEERFGLEYDLDIYMIVAVDFFNMGAMENKGLNIFNSKYVLARTDTATDKDYLDIERVIGHEYFHNWTGNRVTCRDWFQLSLKEGLTVFRDQEFSSDLGSRAVNRINNVRTMRGLQFAEDASPMAHPIRPDMVIEMNNFYTLTVYEKGAEVIRMIHTLLGEENFQKGMQLYFERHDGSAATCDDFVQAMEDASNVDLSHFRRWYSQSGTPIVTVKDDYNPETEQYTLTISQRTPATPDQAEKQPLHIPFAIELYDNEGKVIPLQKGGHPV----NSVLNVTQAEQTFVFDNVYFQPVPALLCEFSAPVKLEYKWSDQQLTFLMRHARNDFSRWDAAQSLLATYIKLNVARHQQGQPLSLPVHVADAFRAVLLDEKIDPALAAEILTLPSVNEMAELFDIIDPIAIAEVREALTRTLATELADELLAIYNANYQ----SEYRVEHEDIAKRTLRNACLRFLAFG--ETHLADVLVSKQFHEANNMTDALAALSAAVAAQLPC-RDALMQEYDDKWHQNGLVMDKWFILQATSPAANVLETVRGLLQHRSFTMSNPNRIRSLIGAFAGSNPAAFHAEDGSGYLFLVEMLTDLNSRNPQVASRLIEPLIRLKRYDAKRQEKMRAALEQLKGLENLSGDLYEKITKALA


General information:
TITO was launched using:
RESULT:

Template: 3PUU.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output 		3D Compatibility (PKB) -318586 for 7676 contacts (-41.5/contact) +
2D Compatibility (PS) -92767 + (NN) -40316 + (LL) 648
1D Compatibility (HY) -78800 + (ID) 22050
Total energy: -551871.0 ( -71.90 by residue)
QMean score : 0.451

(partial model without unconserved sides chains):
PDB file : Tito_3PUU.pdb:





(Unconserved sides chains are recalculated) :
Sequence: align-3PUU-query.scw
PDB file : Tito_Scwrl_3PUU.pdb: