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



Input alignment information:
Query sequenceMLGGRKMKRFAGLKVMGLSPSLMFQSPLSLLTDGQTLSSLPCMSAMRELQLSPQMISILENIEPQVVYSGYDNTQPEVPHLLLNSLNRLCERQLLWIVRWSKSLPGFRNLHINDQMTLIQYSWMGLMLFSLGWRTFQNVTPDYLYFAPDLVLSNDQLRRSPIYDLCLAMQFVPQEFANLQVTKEEFLCMKALMLLNTVPLEGLKSQTQFDEMRQNYICELSKAIQLKEKGVVASSQRFYHLTKLMDNMHEIVKKVNLYCLSTFIQADAMKVEFPEMMTEVIASQLPKVLAGMVKPLMFHHK
3KBA Chain:A ((2-253))-------------------------------------------------QLIPPLINLLMSIEPDVIYAGHD-----TSSSLLTSLNQLGERQLLSVVKWSKSLPGFRNLHIDDQITLIQYSWMSLMVFGLGWRSYKHVSGQMLYFAPDLILNEQRMKE--FYSLCLTMWQIPQEFVKLQVSQEEFLCMKVLLLLNTIPLEGLRSQTQFEEMRSSYIRELIKAIGLR-KGVVSSSQRFYQLTKLLDNLHDLVKQLHLYCLNTFIQSRALSVEFPEMMSEVIAAQLPKILAGMVKPLLFHKK


General information:
TITO was launched using:
RESULT:

Template: 3KBA.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 : 1070 -176905 -165.33 -725.02
target 2D structure prediction score : 0.75
Monomeric hydrophicity matching model chain A : 0.85

3D Compatibility (PKB) : -165.33
2D Compatibility (Sec. Struct. Predict.) : 0.75
1D Compatibility (Hydrophobicity) : 0.85
QMean score : 0.511

(partial model without unconserved sides chains):
PDB file : Tito_3KBA.pdb:





(Unconserved sides chains are recalculated) :
Sequence: align-3KBA-query.scw
PDB file : Tito_Scwrl_3KBA.pdb: