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



Input alignment information:
Query sequenceMAKLNFKSEQDFFILFEQLKALFPNASLFLADTSTQAIHYKFNTDDISVESMTALTQDHHNRYLEINTPKMRKRFIYQENDIYIAEHRIIGKLHILQPVSIENDIADQVELTEQLQDLAKVFNSCSPEMTRMFSIIQRVAIAEFPVLVRGESGSGKELVAQAIHDYSQRKNKIFVAINCAALNSNILESELFGHVKGAFTGAIRDHKGVFERAAGGTLFLDEIAEIPLELQAKLLRVLETGEFTPVGGEKPIQANVRIITATHKALREEAKAGRFRHDLLYRLRVIPIFIPPLRERKVDIPLIVD----QILKESSTQLDTMPRHVNQKAMQVLLNYDWPGNVRELKNTLLYALTMANGKDEIEVEDLPNELLDADEYVKLPENNAELTPENVQAALEKYNHNLNMVANIFGISRTTLWRYRQKHKL
4QNR Chain:A ((22-233))---------------------------------------------------------------------------------------------------------------------------------------VSHLAPLDKPVLIIGERGTGKELIASRLHYLSSRWQGPFISLNCAALNENLLDSELFGHEA--------RHPGRFERADGGTLFLDQLATAPMMVQEKLLRVIEYGELERVGGSQPLQVNVRLVCATNADLPAMVNEGTFRADLLDRLAFDVVQLPPLRERESDIMLMAEYFAIQMCRE--IKLPLFP-GFTERARETLLNYRWPGNIRELKNVV-----------------------------------------------------------------------------


General information:
TITO was launched using:
RESULT:

Template: 4QNR.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 : 871 -108663 -124.76 -543.31
target 2D structure prediction score : 0.60
Monomeric hydrophicity matching model chain A : 0.67

3D Compatibility (PKB) : -124.76
2D Compatibility (Sec. Struct. Predict.) : 0.60
1D Compatibility (Hydrophobicity) : 0.67
QMean score : 0.592

(partial model without unconserved sides chains):
PDB file : Tito_4QNR.pdb:





(Unconserved sides chains are recalculated) :
Sequence: align-4QNR-query.scw
PDB file : Tito_Scwrl_4QNR.pdb: