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



Input alignment information:
Query sequenceMSSTLENCLVQGGRFRVGRRIGGGSFGEIFLGVDTQTGEAVAIKVERSKAVHPQLFSESRYYTLLSQGRGAAYMPTIFGYSSECEFNVMAMELMGFSLEDLHEKCGSRFSLKTTLMLADQILWLIELVHSHSILHRDIKPDNFIMGRGKKAHHVHIIDFGLAKKYRDSQTNMHIPYKEGKSLTGTARYCSINTHLGAEQSRRDDMEGIAYLLIYFLRGSLPWQGLKTATKEQKYGLIAHVKMSTSVESLCKGLPIEFASFLNYSRALRFEDRPDYGYLRSMFRRLFEREGYQEDYVYDWTVRSMYETLTARQRKNAAKRGKKQKENTREESDIFFERENTES
4KBC Chain:A ((6-292))-----------GNRYRLGRKIGS----DIYLGTDIAAGEEVAIKLECVKTKHPQLHIESKIYKMMQGGVG---IPTIRWCGAEGDYNVMVMELLGPSLEDLFNFCSRKFSLKTVLLLADQMISRIEYIHSKNFIHRDVKPDNFLMGLGKKGNLVYIIDFGLAKKYRDARTHQHIPYRENKNLTGTARYASINTHLGIEQSRRDDLESLGYVLMYFNLGSLPWQGLKAATKRQKYERISEKKMSTPIEVLCKGYPSEFATYLNFCRSLRFDDKPDYSYLRQLFRNLFHRQGFSYDYVFDWNM-----------------------------------------


General information:
TITO was launched using:
RESULT:

Template: 4KBC.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 : 1347 -129699 -96.29 -458.30
target 2D structure prediction score : 0.70
Monomeric hydrophicity matching model chain A : 0.85

3D Compatibility (PKB) : -96.29
2D Compatibility (Sec. Struct. Predict.) : 0.70
1D Compatibility (Hydrophobicity) : 0.85
QMean score : 0.525

(partial model without unconserved sides chains):
PDB file : Tito_4KBC.pdb:





(Unconserved sides chains are recalculated) :
Sequence: align-4KBC-query.scw
PDB file : Tito_Scwrl_4KBC.pdb: