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



Input alignment information:
Query sequenceMTYQAPDENGFYGKFGGRFVPETLMKAVKELDEAYQASKTDPAFQKELNYYLKEYVGRETPLYFAEQLTAHAGGAKIYLKREDLNHTGAHKINNTIGQALLARQMGKQKVVAETGAGQHGVATATVAALFNMKCTIFMGEEDVKRQSLNVFRMELLGAKVVSVKAGSRTLKDAVNEALRFWVANVEDTHYIMGSVLGPHPFPEIVRDYQSVIGIEARKQHLEKEGKLPDAIVACVGGGSNAMGLFYPFVDDASVQMHGVEAAGHGLETEFHAATISKGEIGILHGAMMDVLQDENGQILEAFSISAGLDYPGIGPEHSFFRDLGRAAYHSVTDDEAVEAFQLLCRTEGIIPALESSHAISYAVKLASKMRPEESMVVCLSGRGDKDVNQLKERLEGQTND
4NEG Chain:A ((23-397))-------------------VPETLMQSVLELEEAYKEAMEDEAFQKELNHYLKTYVGRETPLYFAENMTEYCGGAKIYLKREDLNHTGAHKINNTIGQALLAVRMGKKKVVAETGAGQHGVATATVCALLGLECVIFMGEEDVRRQKLNVFRMELLGAKVESVAAG--TLKDAVNEALRYWVSHVHDTHYIMGSVLGPHPFPQIVRDFQSVIGNETKKQYEALEGKLPEAVVACIGGGSNAMGMFYPFVHDEEVALYGVEAAG---------------------------------------------DY------HSLLKDIGRVSYHSITDDEALEAFQLLTKKEGIIPALESSHAVAYALKLAPQMKEDEGLVICLSGRGDKDVESIKRYM------


General information:
TITO was launched using:
RESULT:

Template: 4NEG.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -141110 for 2912 contacts (-48.5/contact) +
2D Compatibility (PS) -35819 + (NN) -21382 + (LL) 3296
1D Compatibility (HY) -39200 + (ID) 12050
Total energy: -246265.0 ( -84.57 by residue)
QMean score : 0.588

(partial model without unconserved sides chains):
PDB file : Tito_4NEG.pdb:





(Unconserved sides chains are recalculated) :
Sequence: align-4NEG-query.scw
PDB file : Tito_Scwrl_4NEG.pdb: