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



Input alignment information:
Query sequenceMNKQLKEKLALLPDQPGCYLMKDRQQTVIYVGKAKVLKNRVRSYFTGSHDAKTQRLVTEIEDFEYIVTSSNLEALILEMNLIKKHDPKYNVMLKDDKTYPFIKLTHERHPRLIVTRNVKKDKGRYFGPYPNVQAARETKKLLDRLYPLRKCSKLPDRVCLYYHLGQCLAPCVKDISEETNRELVESITRFLRGGYNEVKKELEEKMHEAAENLEFERAKELRDQIAHIESTMEKQKMTMNDLVDRDVFAYAYDKGWMCVQVFFIRQGKLIERDVSMFPLYQEADEEFLTFIGQFYSKNNHFLPKEILVPDSIDQSMIEQLLETNVHQPKKGPKKELLMLAHKNAKIALKEKFSLIERDEERSIGAVQKLGEALNIYTPHRIEAFDNSNIQGTNPVSAMIVFIDGKPYKKEYRKYKIKTVTGPDDYGSMREVVRRRYTRVLRENLPLPDLIIIDGGKGQINAARDVIENELGLDIPIAGLAKDEKHRTSNLLIGDPLEVAYLERNSQEFYLLQRIQDEVHRFAISFHRQIRGKSAFQSVLDDIPGIGEKRKKMLLKHFGSVKKMKEASLEDIKKAGVPAAAAQLLYDKLQK
1YD4 Chain:A ((1-89))MKEKIRKKILLAPEEPGVYIFKNKG-VPIFIGKAKRLSNRLRSYLNPQTE-KVFRIGEEADELETIVVMNEREAFILEANLIKKYRPKYNV-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------


General information:
TITO was launched using:
RESULT:

Template: 1YD4.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 : 374 -36391 -97.30 -408.89
target 2D structure prediction score : 0.75
Monomeric hydrophicity matching model chain A : 0.59

3D Compatibility (PKB) : -97.30
2D Compatibility (Sec. Struct. Predict.) : 0.75
1D Compatibility (Hydrophobicity) : 0.59
QMean score : 0.646

(partial model without unconserved sides chains):
PDB file : Tito_1YD4.pdb:





(Unconserved sides chains are recalculated) :
Sequence: align-1YD4-query.scw
PDB file : Tito_Scwrl_1YD4.pdb: