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



Input alignment information:
Query sequenceMLSNAQRALIKATVPLLETGGEALITHFYRTMLGEYPEVRPLFNQAHQASGDQPRALANGVLMYARHIDQLQELGPLVAKVVNKHVSLQVLPEHYPIVGTCLLRAIREVLGEQIATDEVLEAWGAAYQQLADLLIEAEESVYAASAQADGGWRGVRRFRVARKQAESEEITSFYLEPVDGQPLLAFQPGQYIGLRLDIDGEEVRRNYSLSAASNGREYRISVKREAGGRVSNYLHDRVAEGDELDLFPPAGDFVLRDSDKPLVLITAGVGITPALAMLQEALPQARPIRFIHCARHGGVHAFRDWIEDVSAQHEQVEHFFCYSEPRAGDSADAEGLLSREKLADWLPQERDLDAYFLGPRPFMAQVKRHLADLGVPSQQCHYEFFGPAAALDA
2VHB Chain:B ((2-145))-LDQQTINIIKATVPVLKEHGVTITTTFYKNLFAKHPEVRPLF-------LEQPKALAMTVLAAAQNIENLPAILPAVKKIAVKHCQAGVAAAHYPIVGQELLGAIKEVLGDA-ATDDILDAWGKAYGVIADVFIQVEADLYAQAV-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------


General information:
TITO was launched using:
RESULT:

Template: 2VHB.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -122549 for 968 contacts (-126.6/contact) +
2D Compatibility (PS) -14529 + (NN) -8883 + (LL) 16256
1D Compatibility (HY) -13200 + (ID) 3200
Total energy: -146105.0 ( -150.93 by residue)
QMean score : 0.629

(partial model without unconserved sides chains):
PDB file : Tito_2VHB.pdb:





(Unconserved sides chains are recalculated) :
Sequence: align-2VHB-query.scw
PDB file : Tito_Scwrl_2VHB.pdb: