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



Input alignment information:
Query sequenceMDQLQIKDLEMFAYHGLFPSEKELGQKFIVSAILSYDMTKAATDLDLTASVHYGELCQQWTTWFQETSEDLIETVAYKLVERTFESYPLVQEMKLELKKPWAPVHLSLDTCSVTIHRRKQRAFIALGSNMGDKQANLKQAIDKLRA-RGIHILKESSVLATEPWGGVEQDSFANQVVEVETWLPAQDLLETLLAIESELGRVREVHWGPRLIDLDLLFVEDQILYTDDLILPHPYIAERLFVLESLQEIAPHFIHPILKQPIRNLY---DALKK
5ETR Chain:B ((6-159))------------------------------------------------------------------------------------------------------------------------QAYLGLGSNIGDRESQLNDAIKILNEYDGISVSNISPIYETAPVGYTEQPNFLNLCVEIQTTLTVLQLLECCLKTEECLHRIRKERWGPRTLDVDILLYGEEMIDLPKLSVPHPRMNERAFVLIPLNDIAANVVEPRSKLKVKDLVFVDDSVKR


General information:
TITO was launched using:
RESULT:

Template: 5ETR.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 759 -27017 -35.59 -180.11
target 2D structure prediction score : 0.61
Monomeric hydrophicity matching model chain B : 0.68

3D Compatibility (PKB) : -35.59
2D Compatibility (Sec. Struct. Predict.) : 0.61
1D Compatibility (Hydrophobicity) : 0.68
QMean score : 0.558

(partial model without unconserved sides chains):
PDB file : Tito_5ETR.pdb:





(Unconserved sides chains are recalculated) :
Sequence: align-5ETR-query.scw
PDB file : Tito_Scwrl_5ETR.pdb: