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



Input alignment information:
Query sequenceMFVDQVKVYVKGGDGGNGMVAFRREKYVPKGGPAGGDGGKGGDVVFEVDEGLRTLMDFRYKKHFKAIRGEHGMSKNQHGRNADDMVIKVPPGTVVTDDDTKQVIADLTEHGQRAVIARGGRGGRGNSRFATPANPAPQLSENGEPGKERYIVLELKVLADVGLVGFPSVGKSTLLSVVSSAKPKIADYHFTTLVPNLGMVET-DDGRSFVMADLPGLIEGAHQGVGLGHQFLRHIERTRVIVHVIDMSGLEGRDPYDDYLTINQELSEYNLRLTERPQIIVANKMDMPEAAENLEAFKEKLT--DDYPVFPISAVTREGLRELLFEVANQLENTPEFPLYDEEELTQNRVMYTMENEEVPFNITRDPDGVFVLSGDSLERLFKMTDFSRDESVKRFARQMRGMGVDEALRERGAKDGDIIRLLEFEFEFID
2CE2 Chain:X ((4-164))--------------------------------------------------------------------------------------------------------------------------------------------------------------YKLVVVGAGGVGKSALTIQLIQNHFV-DECDPTIEDSYRKQVVIDGETCLLDILDTAGQ----EEYSAMRDQYMRT---GEGFLCVFAINN---TKSFEDIHQYREQIKRVKD-SDDVPMVLVGNKSDLAARTVES-RQAQDLARSYGIPYIETSAKTRQGVEDAFYTLVREIR---------------------------------------------------------------------------------------------------


General information:
TITO was launched using:
RESULT:

Template: 2CE2.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 : 822 -25514 -31.04 -161.48
target 2D structure prediction score : 0.60
Monomeric hydrophicity matching model chain X : 0.62

3D Compatibility (PKB) : -31.04
2D Compatibility (Sec. Struct. Predict.) : 0.60
1D Compatibility (Hydrophobicity) : 0.62
QMean score : 0.362

(partial model without unconserved sides chains):
PDB file : Tito_2CE2.pdb:





(Unconserved sides chains are recalculated) :
Sequence: align-2CE2-query.scw
PDB file : Tito_Scwrl_2CE2.pdb: