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



Input alignment information:
Query sequenceMKIKKWLGLAALATVAGLALAACGNSEKKADNATTIKIATVNRSGSEEKRWDKIQELVKKDGITLEFTEFTDYSQPNKATADGEVDLNAFQHYNFLNNWNKENGKDLVAIGDTYISPIRLYSGLNGSANKYTKVEDIPA-NGEIAVPNDATNESRALYLLQSAGLIKLDVSGTA-LATVANIKENPKNLKITELDASQTARSLSSVDAAVVNNTFVTEAKLDYKKALFKEQADENSKQWYNIIVAKKDWETSPKADAIKKVIAAYHTDDVKKVIEESSDGLDQPVW
3IR1 Chain:F ((2-236))----------------------------------EIVFGTTVG-DFGDMVKEQIQPELEKKGYTVKLVEFTDYVRPNLALAEGELDINVFQHKPYLDDFKKEHNLDITEVFQVPTAPLGLYPG------KLKSLEEV-KDGSTVSAPNDPSNFARVLVMLDELGWIKLKDGINPLTASKADIAENLKNIKIVELEAAQLPRSRADVDFAVVNGNYAISSGMKLTEALFQEPS---F-AYVNWSAVKTAD-KDS--QWLKDVTEAYNSDAFKAYAHKRFEGYKSP--


General information:
TITO was launched using:
RESULT:

Template: 3IR1.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
Monomeric PKB - chain F - contact count / total energy / energy per contact / energy per residue : 1240 34880 28.13 149.70
target 2D structure prediction score : 0.55
Monomeric hydrophicity matching model chain F : 0.76

3D Compatibility (PKB) : 28.13
2D Compatibility (Sec. Struct. Predict.) : 0.55
1D Compatibility (Hydrophobicity) : 0.76
QMean score : 0.468

(partial model without unconserved sides chains):
PDB file : Tito_3IR1.pdb:





(Unconserved sides chains are recalculated) :
Sequence: align-3IR1-query.scw
PDB file : Tito_Scwrl_3IR1.pdb: