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



Input alignment information:
Query sequenceMLDTKMLRANFQEIKAKLVHKGEDLTDFDKFEALDDRRRELIGKVEELKGKRNEVSQQVAVLKREKKDADHIIKEMREVGEEIKKLDEELRTVEAELDTILLSIPNIPHESVPVGETEDDNVEVRKWGEKPSFAYEPKPHWDIADELGILDFERAAKVTGSRFVFYKGLGARLERALYNFMLDLHVDEYNYTEVIPPYMVNRASMTGTGQLPKFEEDAFKIREEDYFLIPTAEVPITNMHRDEILSGDSLPINYAAFSACFRSEAGSAGRDTRGLIRQHQFNKVELVKFVKPEDSYE----ELEKLTNQAERVLQLLELPYRVMSMCTGDLGFTAAKKYDIEVWIPSQDTYREISSCSNFEAFQARRANIRFRREAKGKPEHVHTLNGSGLAVGRTVAAILENYQQEDGSVVIPKVLRPYMGNREVMKP
3ERR Chain:A ((178-528))-----------------------------------------------------------------------MLKRVEPLRNELQKLEDDAKDNQQKLEALLLQVPLPPWPGAPVG-GEEANREIKRVGGPPEFSFPPLDHVALMEKNGWWE-PRISQVSGSRSYALKGDLALYELALLRFAMDFMARRGFLPMTLPSYAREKAFL-GTGHFPAYRDQVWAIAETDLYLTGTAEVVLNALHSGEILPYEALPLRYAGYAPAFRSEAGSFGKDVRGLMRVHQFHKVE--QYVLTEASLEASDRAFQELLENAEEILRLLELPYRLVEVATGDMGPGKWRQVDIEVYLPSEGRYRETHSCSALLDWQARRANLRY-RDPEGRVRYAYTLNNTALATPRILAMLLENHQLQDGRVRVPQALIPYMG-KEVLEP


General information:
TITO was launched using:
RESULT:

Template: 3ERR.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -80022 for 2762 contacts (-29.0/contact) +
2D Compatibility (PS) -37536 + (NN) -17080 + (LL) 6360
1D Compatibility (HY) -26800 + (ID) 6950
Total energy: -162028.0 ( -58.66 by residue)
QMean score : 0.357

(partial model without unconserved sides chains):
PDB file : Tito_3ERR.pdb:





(Unconserved sides chains are recalculated) :
Sequence: align-3ERR-query.scw
PDB file : Tito_Scwrl_3ERR.pdb: