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



Input alignment information:
Query sequenceMADKQTHETELTFDQVKEQLTESGKKRGVLTYEEIAERMSSFEIESDQMDEYYEFLGEQGVELISENEETEDPNIQQLAKAEEEFDLNDLSVPPGVKINDPVRMYLKEIGRVNLLSAKEEIAYAQKIEEGDEESKRRLAEANLRLVVSIAKRYVGRGMLFLDLIQEGNMGLMKAVEKFDYRKGYKFSTYATWWIRQAITRAIADQARTIRIPVHMVETINKLIRVQRQLLQDLGREPTPEEIAEDMDLTPEKVREILKIAQEPVSLETPIGEEDDSHLGDFIEDQEATSPSDHAAYELLKEQLEDVLDTLTDREENVLRLRFGLDDGRTRTLEEVGKVFGVTRERIRQIEAKALRKLRHPSRSKRLKDFLE
4YG2 Chain:F ((375-612))-------------------------------------------------------------------------------------------------------------------------------------AKKEMVEANLRLVISIAKKYTNRGLQFLDLIQEGNIGLMKAVDKFEYRRGYKFSTYATWWIRQAITRSIADQARTIRIPVHMIETINKLNRISRQMLQEMGREPTPEELAERMLMPEDKIRKVLKIAKEPISMETPIGDDEDSHLGDFIEDTTLELPLDSATTESLRAATHDVLAGLTAREAKVLRMRFGIDMNTDYTLEEVGKQFDVTRERIRQIEAKALRKLRHPSRSEVLRSFLD


General information:
TITO was launched using:
RESULT:

Template: 4YG2.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
Monomeric PKB - chain F - contact count / total energy / energy per contact / energy per residue : 614 -75056 -122.24 -315.36
target 2D structure prediction score : 0.71
Monomeric hydrophicity matching model chain F : 0.80

3D Compatibility (PKB) : -122.24
2D Compatibility (Sec. Struct. Predict.) : 0.71
1D Compatibility (Hydrophobicity) : 0.80
QMean score : 0.645

(partial model without unconserved sides chains):
PDB file : Tito_4YG2.pdb:





(Unconserved sides chains are recalculated) :
Sequence: align-4YG2-query.scw
PDB file : Tito_Scwrl_4YG2.pdb: