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



Input alignment information:
Query sequenceMRASTVTIKTEQDLEKLRVSGRLAAQVLEMIGEYVKPGVTTEYLDNICNDYIVNTLKVIPANVGYHGFTKTICISVNEVVCHGIPSQNKILKDGDIINIDVAIIKDGYFGDTSRMYYVGNVNPHAKKLVETTYEAMVAGIHAVKPGATLGDIGYAIQSVAHREGYSIVREYCGHGIGKVYHEQPNILHYGQRGQGLVLKKGMVFTIEPMVNAGKPQVKELNDGWTVITQDHSLSAQWEHMVAVTDTGFELLTPWPEGVGNYPEI
3PKE Chain:A ((37-284))---SEPWVQTPEVIEKMRVAGRIAAGALAEAGKAVAPGVTTDELDRIAHEYL-VDNGAYPSTLGYKGFPKSCCTSLNEVICHGIPDST-VITDGDIVNIDVTAYIGGVHGDTNATFPAGDVADEHRLLVDRTREATMRAINTVKPGRALSVIGRVIESYANRFGYNVVRDFTGHGIGTTFHNGLVVLHYDQPAVETIMQPGMTFTIEPMINLGALDYEIWDDGWTVVTKDRKWTAQFEHTLLVTDTGVEILTC-----------


General information:
TITO was launched using:
RESULT:

Template: 3PKE.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
Monomeric PKB - chain A - contact count / total energy / energy per contact / energy per residue : 1521 -157837 -103.77 -636.44
target 2D structure prediction score : 0.68
Monomeric hydrophicity matching model chain A : 0.81

3D Compatibility (PKB) : -103.77
2D Compatibility (Sec. Struct. Predict.) : 0.68
1D Compatibility (Hydrophobicity) : 0.81
QMean score : 0.588

(partial model without unconserved sides chains):
PDB file : Tito_3PKE.pdb:





(Unconserved sides chains are recalculated) :
Sequence: align-3PKE-query.scw
PDB file : Tito_Scwrl_3PKE.pdb: