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



Input alignment information:
Query sequenceMLTENSAVNSGGKSKCEAGACESRVNGDATSVMDLMAVSTSATGQDEFDRNAPRICGVCGDKATGFHFNAMTCEGCKGFFRRSMKRKASFTCPFNGNCTITKDNRRHCQACRLKRCIDIGMMKEFILTDEEVQRKKDLIMKRKEEEAAREARKPRLSDEQMQIINSLVEAHHKTYDDSYSDFVRFRPPVREGPVTRSASRAASLHSLSDASSDSFNHSPESVDTKLNFSNLLMMYQDSGSPDSSEEDQQSRLSMLPHLADLVSYSIQKVIGFAKMIPGFRDLTAEDQIALLKSSAIEIIMLRSNQSFSLEDMSWSCGGPDFKYCINDVTKAGHTLELLEPLVKFQVGLKKLKLHEEEHVLLMAICLLSPDRPGVQDHVRIEALQDRLCDVLQAYIRIQH--PGGRLLYAKMIQKLADLRSLNEEHSKQYRSLSFQPEHSMQLTPLVLEVFGSEVS
3AUR Chain:A ((5-259))-----------------------------------------------------------------------------------------------------------------------------------------------------DSLRPKLSEEQQRIIAILLDAHHKTYDPTYSDFCQFRPPVR------------------------VND--GSVTLEL-----------------------SQLSMLPHLADLVSYSIQKVIGFAKMIPGFRDLTSEDQIVLLKSSAIEVIMLRSNESFTMDDMSWTCGNQDYKYRVSDVTKAGHSLELIEPLIKFQVGLKKLNLHEEEHVLLMAICIVSPDRPGVQDAALIEAIQDRLSNTLQTYIRCRHPPPGSHLLYAKMIQKLADLRSLNEEHSKQYRCLSFQPECSMKLTPLVLEVFG----


General information:
TITO was launched using:
RESULT:

Template: 3AUR.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 : 1097 -98859 -90.12 -393.86
target 2D structure prediction score : 0.71
Monomeric hydrophicity matching model chain A : 0.79

3D Compatibility (PKB) : -90.12
2D Compatibility (Sec. Struct. Predict.) : 0.71
1D Compatibility (Hydrophobicity) : 0.79
QMean score : 0.290

(partial model without unconserved sides chains):
PDB file : Tito_3AUR.pdb:





(Unconserved sides chains are recalculated) :
Sequence: align-3aur-query.scw
PDB file : Tito_Scwrl_3AUR.pdb: