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



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


General information:
TITO was launched using:
RESULT:

Template: 3GRU.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -32007 for 487 contacts (-65.7/contact) +
2D Compatibility (PS) -8297 + (NN) -3716 + (LL) 30328
1D Compatibility (HY) -4400 + (ID) 1200
Total energy: -19292.0 ( -39.61 by residue)
QMean score : 0.071

(partial model without unconserved sides chains):
PDB file : Tito_3GRU.pdb:





(Unconserved sides chains are recalculated) :
Sequence: align-3GRU-query.scw
PDB file : Tito_Scwrl_3GRU.pdb: