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



Input alignment information:
Query sequenceMEPIGRSLQGVTGRPDFQKRLEQMKEKVMKDQDVQAFLKENEEVIDQKMIEKSLNKLYEYIEQSKNCSYCSEDENCNNLLEGYHPKLVVNGRSIDIEYYECPVKRKLDQQKKQQSLMKSMYIQQDLLGATFQQVDISDPSRLAMFQHVTDFLKSYNETGKGKGLYLYGKFGVGKTFMLAAIANELAEKEYSSMIVYVPEFVRELKNSLQDQTLEEKLNMVKTTPVLMLDDIGAESMTSWVRDEVIGTVLQHRMSQQLPTFFSSNFSPDELKHHFTYSQRGEKEEVKAARLMERILYLAAPIRLDGENRRHP
5BQ5 Chain:A ((37-179))--------------------------------------------------------------------------------------------------------------------------------------------------------------DRKENILFLGPPGIGKTHLAISIGMEAIARGYKTYFITAHDLVNQLRRADQEGKLEKKLRVFVKPTVLIIDEMGYLKLDPNSAH-YLFQVIARRYE-HAPIILTSNKSFGEWGEIVGD-------SVLATAMLDRLLHHSIIFNLKGESYRL-


General information:
TITO was launched using:
RESULT:

Template: 5BQ5.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 : 637 -100103 -157.15 -700.02
target 2D structure prediction score : 0.62
Monomeric hydrophicity matching model chain A : 0.67

3D Compatibility (PKB) : -157.15
2D Compatibility (Sec. Struct. Predict.) : 0.62
1D Compatibility (Hydrophobicity) : 0.67
QMean score : 0.503

(partial model without unconserved sides chains):
PDB file : Tito_5BQ5.pdb:





(Unconserved sides chains are recalculated) :
Sequence: align-5BQ5-query.scw
PDB file : Tito_Scwrl_5BQ5.pdb: