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



Input alignment information:
Query sequenceMFHLLGAQQNQKLKRRRFFCPVCGGELAVKLGLQKAPHFAHKQNKSCAIDIEPESAYHLEGKRQLYVWLKTQRASPILEPYIRTINQRPDVMARIKEHMLAVEYQCATIAPDVFQKRTEGFKQEGIIPQWIMGYSRLKRTASSFYQLSTFHWQFINASPYRELICYCPERRSFLRLSHIIPFYTNHSYSSVQTIPIHRAGAGDLFFTEPKPSIQYSGWTKAIHRFRHKPHRFNSKETNRLRLLFYEKRQTPFSFLPTEVFVPVRKGAVFKSPVFVWQGFLYLFMTDLGGKRAPIRFSAVLQQCKLHIHNKNIALRSECSEECLSEAVKQYIDFLCKKGFLRETQKEVYVLNQPAGGIHSMQDLIERDRSCFIE
4AYB Chain:P ((22-36))---------------PGVRCPYCGYKIIFM-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------


General information:
TITO was launched using:
RESULT:

Template: 4AYB.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
Monomeric PKB - chain P - contact count / total energy / energy per contact / energy per residue : 13 -1790 -137.65 -119.30
target 2D structure prediction score : 0.67
Monomeric hydrophicity matching model chain P : 0.52

3D Compatibility (PKB) : -137.65
2D Compatibility (Sec. Struct. Predict.) : 0.67
1D Compatibility (Hydrophobicity) : 0.52
QMean score : 0.498

(partial model without unconserved sides chains):
PDB file : Tito_4AYB.pdb:





(Unconserved sides chains are recalculated) :
Sequence: align-4AYB-query.scw
PDB file : Tito_Scwrl_4AYB.pdb: