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



Input alignment information:
Query sequenceMTQFDKQYNSIIKDIINNGISDEEFDVRTKWDSDGTPAHTLSVISKQMRFDNS-EVPILTTKKVAWKTAIKELLWIWQLKSNDVNDLNMMGVHIWDQWKQ------------EDGTIGHAYGFQLGKKNRSL-------NGEKVDQVDYLLHQLKNNPSSRRHITMLWNPDELDAMALTPCVYETQWYVKHGKLHLEVRARSNDMALGNPFNVFQYNVLQRMIAQVTGYELGEYIFNIGDCHVYTRHIDNLKIQMEREQFEAPELWINPEVKDFYDFTIDDFKLINYKHGDKLLFEVAV
3NRR Chain:A ((229-515))-NHEEFQYLDILADVLSHGVLKP--NRT-GT-----D--AYSKFGYQMRFDLSRSFPLLTTKKVALRSIIEELLWFIKGST-NGNDLLAKNVRIWELNGRRDFLDKNGFTDREEHDLGPIYGFQWRHFGAEYLDMHADYTGKGIDQLAEIINRIKTNPNDRRLIVCSWNVSDLKKMALPPCHCFFQFYVSDNKLSCMMHQRSCDLGLGVPFNIASYSILTAMVAQVCGLGLGEFVHNLADAHIYVDHVDAVTTQIARIPHPFPRLRLNPDIRNIEDFTIDDIVVEDYVSHPPIPMAMSA


General information:
TITO was launched using:
RESULT:

Template: 3NRR.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 : 1336 -27172 -20.34 -101.77
target 2D structure prediction score : 0.60
Monomeric hydrophicity matching model chain A : 0.76

3D Compatibility (PKB) : -20.34
2D Compatibility (Sec. Struct. Predict.) : 0.60
1D Compatibility (Hydrophobicity) : 0.76
QMean score : 0.497

(partial model without unconserved sides chains):
PDB file : Tito_3NRR.pdb:





(Unconserved sides chains are recalculated) :
Sequence: align-3NRR-query.scw
PDB file : Tito_Scwrl_3NRR.pdb: