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



Input alignment information:
Query sequenceMESAVSTSTQVPDEFDRNVPRICGVCGDKATGFHFNAMTCEGCKGFFRRSMKRKASFTCPFNGSCTITKDNRRHCQACRLKRCLDIGMMKEFILTDEEVQRKKELIQRRKDEEAHREAQKPRLSDEQRNIIDTLVDAHHKTYDDSYSDFSRFRPPVREGPVTRSASRAASLHSLSDASSDSFSHSPESGDRKMNLSNLLMMYQEQGLSSSPDSKEEDGSSLSMLPHLADLVSYSIQKVIGFAKMIPGFRELTAEDQIALLKSSAIEVIMLRSNQSFSLEDMSWSCGGPEFKYCVNDVTKAGHTLELLEPLVKFQVGLKKLNLHEEEHVLLMAICLLSPDRPGVQDHVRVEALQDKVSEVLQAYIRAHHPGGRLLYAKMIQKLADLRSLNEEHSKQYRSLSFQPEHSMQLTPLVLEVFGGQVT
3O1E Chain:A ((5-302))--------------------------------------------------------------------------------------------------------------------------LSDEQMQIINSLVEAHHKTYDDSYSDFVRFRPPVR---------------------------------------------------------------LSMLPHLADLVSYSIQKVIGFAKMIPGFRDLTAEDQIALLKSSAIEIIMLRSNQSFSLEDMSWSCGGPDFKYCINDVTKAGHTLELLEPLVKFQVGLKKLKLHEEEHVLLMAICLLSPDRPGVQDHVRIEALQDRLCDVLQAYIRIQHPGGRLLYAKMIQKLADLRSLNEEHSKQYRSLSFQPEHSMQLTPLVLEVFGSEVS


General information:
TITO was launched using:
RESULT:

Template: 3O1E.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 : 1036 -134382 -129.71 -567.01
target 2D structure prediction score : 0.75
Monomeric hydrophicity matching model chain A : 0.82

3D Compatibility (PKB) : -129.71
2D Compatibility (Sec. Struct. Predict.) : 0.75
1D Compatibility (Hydrophobicity) : 0.82
QMean score : 0.299

(partial model without unconserved sides chains):
PDB file : Tito_3O1E.pdb:





(Unconserved sides chains are recalculated) :
Sequence: align-3o1e-query.scw
PDB file : Tito_Scwrl_3O1E.pdb: