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



Input alignment information:
Query sequenceMIAPRQGLFASLLIISFALHTFLLVIATTHQLNENRASQGQLMTSQLVADSLSELEPANTVSLALIANRYATNPSVASIRILDANKQVLATSGMSKTRQGEIFVRDALQNEKKVGSIEITLIQPSIGEILRTQWLAILASLFLHVLLWLAYRAIARPTRSEYLARINEENRLKHEIQELTQALALEKQNTVTLVAQAQQQAKVKPIVRSQPEKSLESTDQNTLALNIQFYDPKQLLSSVNQSVSVPYFKLCQLFLNKSIELCTKHYHLKATDIDVVDEFHAEGATLAISTS-H---PHAVECLLMVGTVFQLLSDVLYKRYREDK-RFALQTRSA-------VCNAVE--AMQ---I-DAKEAAQRLAQHLHAKESALYLDNEQLKAIQDSYQLVAMPNPSNVMTRHAFMINGMNAECAELAQNIRTEILMGKKSIPQNASPSSAAS
3R5G Chain:B ((3-170))---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------LETQRKKLTV-FFSDIRGFTELSEELEAEALTDLLNNYLNEMSKIALKYG----------GTIDKFVGDCVMVFFGDPSTQGAKKDAVAAVSMGIAMRKHMKVLRQQWRAQGITKPLEIRMGINTGYCTVGNFGADTRMDYTIIGREVNLASRLESASEAGEILISH--ETYSLIKDVIMC-----------------------------------------------------


General information:
TITO was launched using:
RESULT:

Template: 3R5G.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 : 645 -38916 -60.33 -259.44
target 2D structure prediction score : 0.61
Monomeric hydrophicity matching model chain B : 0.56

3D Compatibility (PKB) : -60.33
2D Compatibility (Sec. Struct. Predict.) : 0.61
1D Compatibility (Hydrophobicity) : 0.56
QMean score : 0.455

(partial model without unconserved sides chains):
PDB file : Tito_3R5G.pdb:





(Unconserved sides chains are recalculated) :
Sequence: align-3R5G-query.scw
PDB file : Tito_Scwrl_3R5G.pdb: