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



Input alignment information:
Query sequenceMFHLLGAQQNQKLKRRRFFCPVCGGELAVKLGLQKAPHFAHKQNKSCAIDIEPESAYHLEGKRQLYVWLKTQRASPILEPYIRTINQRPDVMARIKEHMLAVEYQCATIAPDVFQKRTEGFKQEGIIPQWIMGYSRLKRTASSFYQLSTFHWQFINASPYRELICYCPERRSFLRLSHIIPFYTNHSYSSVQTIPIHRAGAGDLFFTEPKPSIQYSGWTKAIHRFRHKPHRFNSKETNRLRLLFYEKRQTPFSFLPTEVFVPVRKGAVFKSPVFVWQGFLYLFMTDLGGKRAPIRFSAVLQQCKLHIHNKNIALRSECSEECLSEAVKQYIDFLCKKGFLRETQKEVYVLNQPAGGIHSMQDLIERDRSCFIE
2KPI Chain:A ((8-23))--------------LEILACPACHAPLEER-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------


General information:
TITO was launched using:
RESULT:

Template: 2KPI.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 : 14 -3170 -226.43 -198.13
target 2D structure prediction score : 0.25
Monomeric hydrophicity matching model chain A : 0.52

3D Compatibility (PKB) : -226.43
2D Compatibility (Sec. Struct. Predict.) : 0.25
1D Compatibility (Hydrophobicity) : 0.52
QMean score : 0.516

(partial model without unconserved sides chains):
PDB file : Tito_2KPI.pdb:





(Unconserved sides chains are recalculated) :
Sequence: align-2KPI-query.scw
PDB file : Tito_Scwrl_2KPI.pdb: