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



Input alignment information:
Query sequenceMLSNAQRALIKATVPLLETGGEALITHFYRTMLGEYPEVRPLFNQAHQASGDQPRALANGVLMYARHIDQLQELGPLVAKVVNKHVSLQVLPEHYPIVGTCLLRAIREVLGEQIATDEVLEAWGAAYQQLADLLIEAEESVYAASAQADGGWRGVRRFRVARKQAESEEITSFYLEPVDGQPLLAFQPGQYIGLRLDIDGEEVRRNYSLSAASNGREYRISVKREAGGRVSNYLHDRVAEGDELDLFPPAGDFVLRDSDKPLVLITAGVGITPALAMLQEALPQARPIRFIHCARHGGVHAFRDWIEDVSAQHEQVEHFFCYSEPRAGDSADAEGLLSREKLADWLPQERDLDAYFLGPRPFMAQVKRHLADLGVPSQQCHYEFFGPAAALDA
1VHB Chain:A ((2-145))-LDQQTINIIKATVPVLKEHGVTITTTFYKNLFAKHPEVRPLF---------QPKALAMTVLAAAQNIENLPAILPAVKKIAVKHCQAGVAAAHYPIVGQELLGAIKEVLGDA-ATDDILDAWGKAYGVIADVFIQVEADLYAQAV-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------


General information:
TITO was launched using:
RESULT:

Template: 1VHB.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -109540 for 953 contacts (-114.9/contact) +
2D Compatibility (PS) -14237 + (NN) -7951 + (LL) 16008
1D Compatibility (HY) -13200 + (ID) 3200
Total energy: -132120.0 ( -138.64 by residue)
QMean score : 0.664

(partial model without unconserved sides chains):
PDB file : Tito_1VHB.pdb:





(Unconserved sides chains are recalculated) :
Sequence: align-1VHB-query.scw
PDB file : Tito_Scwrl_1VHB.pdb: