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



Input alignment information:
Query sequenceVAKRRKKPQEEHVDETWLIPYSDLLTLLLALFIVLFASSSVDAKKFEQMGNAFKKIVEEGAAGNQAYVSKEKGPDDPNVNAVLKAMEEQDKKKEANEQEKAKKAAAALLKKQNEEKIEAFKKQIDSYIAAENLGTKMTTKYSDEGLLITIRDDILFQSGSAE-LSAGKREIAKEIGELFAQGKGTMEGIVSGHTDNVPISTSIYSSNWELSVARAVNFMEAIIQENSEVNPGEFSARGYGEFRPVAKNDIAANREKNRRVEIMVRPINRDTLDEDE--------
3CYP Chain:B ((119-251))-----------------------------------------------------------------------------------------------------------------------------------------------------GIDPFTFENATSDAINQDMMLYIERIAKIIQKLPKRVHINVRGFTDDTPLF----KSHYELAANRAYRVMKVLIQYG--VNPNQLSFSSYGSTNPIAPNDSLENRMKNNRVEIFFSTDANDLSKIHSILDNEFNP


General information:
TITO was launched using:
RESULT:

Template: 3CYP.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) 13271 for 890 contacts (14.9/contact) +
2D Compatibility (PS) -13259 + (NN) -8191 + (LL) 12048
1D Compatibility (HY) -6400 + (ID) 1750
Total energy: -4281.0 ( -4.81 by residue)
QMean score : 0.387

(partial model without unconserved sides chains):
PDB file : Tito_3CYP.pdb:





(Unconserved sides chains are recalculated) :
Sequence: align-3CYP-query.scw
PDB file : Tito_Scwrl_3CYP.pdb: