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



Input alignment information:
Query sequenceMLAAIWAQDENGLIGKEDRLPWRLPNDLKFFKQMTEANTLVMGRKTFEGMGSRPLPNRQTIVLTRDSSYKAEGVHVMHSVEDVLALEKETDGIFFIAGGSAVYQEFLPFCTILYRTVIHHVFDGDAYFPPVDWSDWSLINTSQGEMDEKNRYPHQFETYQRNENPVKSGTGELTI
4LEK Chain:X ((3-152))-LSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIG-KPLPNRRNVVLTSDTSFNVEGVDVIHSIEDIYQLP----GHVFIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTF-------------------


General information:
TITO was launched using:
RESULT:

Template: 4LEK.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
Monomeric PKB - chain X - contact count / total energy / energy per contact / energy per residue : 680 -114467 -168.33 -763.11
target 2D structure prediction score : 0.65
Monomeric hydrophicity matching model chain X : 0.84

3D Compatibility (PKB) : -168.33
2D Compatibility (Sec. Struct. Predict.) : 0.65
1D Compatibility (Hydrophobicity) : 0.84
QMean score : 0.472

(partial model without unconserved sides chains):
PDB file : Tito_4LEK.pdb:





(Unconserved sides chains are recalculated) :
Sequence: align-4LEK-query.scw
PDB file : Tito_Scwrl_4LEK.pdb: