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



Input alignment information:
Query sequenceMFGSNDDKKAPQGGEKKGLFGWWRKKPQAGEQPADQPVEPVSETAAAEQRAPADDVAQSLTEQPGRQQPSAAEPAEPPAPVAEAPLAGDEPASAEEHSPRPEAPVAQPEPILAAEPEPEPEPEPEPEPEPVAPLAAAPAVSEPATRPGFFARLRQGLSKTSASIGEGMASLFLGRKEIDDDLLDDIETRLLTADVGVEATTLIVQNLTKRVARKELADSGALYKALQEELASLLRPVEQPLQVDVAREPYVILVVGVNGVGKTTTIGKLAKKLQLEGKKVMLAAGDTFRAAAVEQLQVWGERNRIPVIAQHTGADSASVIFDAVQAAKARGIDVLIADTAGRLHTKDNLMEELKKVRRVIGKLDETAPHEVLLVLDAGTGQNAINQAKQFNLAVELTGLALTKLDGTAKGGVIFALAKQFGLPIRYIGVGEGIDDLRTFEADAFVQALFAERENA
2YHS Chain:A ((188-494))---------------------------------------------------------------------------------------------------------------------------------------------EKPTKEGFFARLKRSLLKTKENLGSGFISLFRGKK-IDDDLFEELEEQLLIADVGVETTRKIITNLTEGASRKQLRDAEALYGLLKEEMGEILAKVDEPLNVE-GKAPFVILMVGVNGVGKTTTIGKLARQFEQQGKSVMLAAGDTFRAAAVEQLQVWGQRNNIPVIAQHTGADSASVIFDAIQAAKARNIDVLIADTAGRLQNKSHLMEELKKIVRVMKKLDVEAPHEVMLTIDASTGQNAVSQAKLFHEAVGLTGITLTKLDGTAKGGVIFSVADQFGIPIRYIGVGERIEDLRPFKADDFIEALFAR----


General information:
TITO was launched using:
RESULT:

Template: 2YHS.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -223754 for 2647 contacts (-84.5/contact) +
2D Compatibility (PS) -33524 + (NN) -18658 + (LL) 5876
1D Compatibility (HY) -35600 + (ID) 10400
Total energy: -316060.0 ( -119.40 by residue)
QMean score : 0.703

(partial model without unconserved sides chains):
PDB file : Tito_2YHS.pdb:





(Unconserved sides chains are recalculated) :
Sequence: align-2YHS-query.scw
PDB file : Tito_Scwrl_2YHS.pdb: