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



Input alignment information:
Query sequenceMQFRKTLNIGIMLKIVLSEIGMTQGLLAGKRFLTAGVASKLSIAYGIAQALHREGAELAFTYPNEKLKKRVDEFAEQFGSKLVFPCDVAVDAEIDNAFAELAKHWDGVDGVVHSIGFAPAHTLDGDFTDVTDRDGFKIAHDISAYSFVAMARAAKPLLQARQGCLLTLTYQGSERVMPNYNVMGMAKASLEAGVRYLASSLGVDGIRVNAISAGPIRTLAASGIKSFRKMLDANEKVAPLKRNVTIEEVGNAALFLCSPWASGITGEILYVDAGFNTVGMSQSMMDDE
3PJE Chain:A ((2-257))------------------------GFLSGKRILVTGVASKLSIAYGIAQAMHREGAELAFTYQNDKLKGRVEEFAAQLGSDIVLQCDVAEDASIDTMFAELGKVWPKFDGFVHSISFAPGDQLDGDYVNAVTREGFKIAHDISSYSFVAMAKACRSMLNPGSA-LLTLSYLGAERAIPNYNVMGLAKASLEANVRYMANAMGPEGVRVNAISAGPIRTLAASGIKDFRKMLAHCEAVTPIRRTVTIEDVGNSAAFLCSDLSAGISGEVVHVDGGFSIAAMN-------


General information:
TITO was launched using:
RESULT:

Template: 3PJE.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 : 1414 -174993 -123.76 -683.56
target 2D structure prediction score : 0.62
Monomeric hydrophicity matching model chain A : 0.87

3D Compatibility (PKB) : -123.76
2D Compatibility (Sec. Struct. Predict.) : 0.62
1D Compatibility (Hydrophobicity) : 0.87
QMean score : 0.554

(partial model without unconserved sides chains):
PDB file : Tito_3PJE.pdb:





(Unconserved sides chains are recalculated) :
Sequence: align-3PJE-query.scw
PDB file : Tito_Scwrl_3PJE.pdb: