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



Input alignment information:
Query sequenceMCSLAAGNGRGAELGPEPLELSDSGDDAGWEDEDADTEPAHGRQHTPCLFCDRLFASAEETFSHCKLEHQFNIDSMVHKHGLEFYGYIKLINFIRLKNPTVEYMNSIYNPVPWEKDEYLKPVLEDDLLLQFDVEDLYEPVSTPFSYPNGLSESASVVEKLKHMEARALSAEAALARAREDLQKMKQFAQDFVMNVDVRTCSSTTTIADLQEDEDGVYFSSYGHYGIHEEMLKDKVRTESYRDFIYQNPHIFKDKVVLDVGCGTGILSMFAAKVGAKKVIAVDQSEILYQAMDIIRLNKLEDTIVLIKGKIEEVSLPVEKVDVIISEWMGYFLLFESMLDSVLYAKSKYLAKGGSVYPDICTISLVAVSDVSKHADRIAFWDDVYGFNMSCMKKAVIPEAVVEVVDHKTLISDPCDIKMDGKHIDCHTTSISDLEFSSDFTLRTTKTAMCTAVAGYFDIYFEKNCHNRVVFSTGPQSTKTHWKQTVFLLEKPFPVKAGEALKGKITVHKNKKDPRSLIVTLTLNSSTQTYSLQ
3GRR Chain:A ((37-110))----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------NFVNKAVESANLTKDDVVLEIGLGKGILTEELAK-NAKKVYVIEIDKSLEPYAN--KLKELYNNIEIIWGDALKVDL-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------


General information:
TITO was launched using:
RESULT:

Template: 3GRR.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -32373 for 489 contacts (-66.2/contact) +
2D Compatibility (PS) -8297 + (NN) -3716 + (LL) 30328
1D Compatibility (HY) -4400 + (ID) 1200
Total energy: -19658.0 ( -40.20 by residue)
QMean score : 0.066

(partial model without unconserved sides chains):
PDB file : Tito_3GRR.pdb:





(Unconserved sides chains are recalculated) :
Sequence: align-3GRR-query.scw
PDB file : Tito_Scwrl_3GRR.pdb: