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



Input alignment information:
Query sequenceMAQRIPQEVIETVRSQTNIVEVIGQYVQLKKSGKNYLGLCPFHEERTPSFSVAEDKQIFHCFGCGKGGNVFTFLQELEGLSFPEAVVKVADFEQIPLEDQWRQRTIAVQNPESATGKLIAAHEKAAEIYHHMLLHTKAGQPALEYLQSRGLSLELIEEFNIGFAPNERSFLQQVFKNESISNELLERSGLFVTHDDGRMSDRFYQRVMFPLRNSQGQTIGFSGRWLAPEKGQEKDQPKYLNSPETELFNKRQVLFNLDKARSDIRKNGEILLFEGFMDVIAAWQAGIKTGLASMGTSLTAQQIQQMEKLTKELVFCYDGDNAGFEATNRGIELLRQNSRLALSVVVVPEKLDPDEYLRKYGEASFQELVAHGRETVFTFKSRYLKQGKNLDNEKDKIEYLEELLVELSRVVSPIEQDMYLSQLSTEFQIGRETIQKQLRDLRRTNQQNRQEPQESQHTQVTRQETARKKRPLTQVEKAEQILLYRAFKEVSVRNILKEREFQFIHDAYAEVYFLFDAYVSQHYEFNLAEFLDFLQDENLRRLVVEIEYLPVAEESSPREIQDLLDVISKSGLADEITLKKQMQQEARRTGNKQLELELTIEIINLTKQLKQAK
2AU3 Chain:A ((3-405))-----MSSDIDELRREIDIVDVISEYLNLEKVGSNYRTNCPFHPDDTPSFYVSPSKQIFKCFGCGVGGDAIKFVSLYEDISYFEAALELAKRYGKKLDLEKIS----------KDEKVYVALDRVCDFYRESLLK---NREASEYVKSRGIDPKVARKFDLGYAPSS-EALVKVLKENDLLEAYLETKNLLSPT-KGVYRDLFLRRVVIPIKDPRGRVIGFGGRRIVED-----KSPKYINSPDSRVFKKGENLFGLYEAKEYIKEEGFAILVEGYFDLLRLFSEGIRNVVAPLGTALTQNQANLLSKFTKKVYILYDGDDAGRKAMKSAIPLLLS-AGVEVYPVYLPEGYDPDEFIKEFGKEELRRLIN-SSGELFETLIKTARENLE-----E---KTREFRYYLGFISDGVRRFALASEFHTKYKVPMEILLMKI-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------


General information:
TITO was launched using:
RESULT:

Template: 2AU3.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
Monomeric PKB - chain A - contact count / total energy / energy per contact / energy per residue : 2073 -222774 -107.46 -552.79
target 2D structure prediction score : 0.65
Monomeric hydrophicity matching model chain A : 0.74

3D Compatibility (PKB) : -107.46
2D Compatibility (Sec. Struct. Predict.) : 0.65
1D Compatibility (Hydrophobicity) : 0.74
QMean score : 0.552

(partial model without unconserved sides chains):
PDB file : Tito_2AU3.pdb:





(Unconserved sides chains are recalculated) :
Sequence: align-2AU3-query.scw
PDB file : Tito_Scwrl_2AU3.pdb: