Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MNGAVPMLAIDGPSGAGKGTVAGLLARRLGWNLLDSGALYRLLAFAAVNHGVDLTNEEALKVLAAHLDVQFVAADGSHGQRIILEGEEVTDVIRTEQVGAGASQVAALPAVRDALLQRQRAFREAPGLVADGRDMGTVVFPDAPLKIFLTASAEERARRRYLQLKAKGADVDQSALLEEIRERDERDSQRAVAPLKPADDAILLDSTEMSIEAVVETIIRHCERQGWDV
1KDR Chain:B ((3-223))
--AIAPVITIDGPSGAGKGTLCKAMAEALQWHLLDSGAIYRVLALAALHHHVDVASEDALVPLASHLDVRFVSTNGN--LEVILEGEDVSGEIRTQEVANAASQVAAFPRVREALLRRQRAFRELPGLIADGRDMGTVVFPDAPVKIFLDASSEERAHRRMLQLQEKGFSVNFERLLAEIKERDDRDRNRAVAPLVPAADALVLDSTTLSIEQVIEKALQYARQK----
General information:
TITO was launched using:
RESULT:
Template:
1KDR.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -120233 for 1806 contacts (-66.6/contact) +
2D Compatibility (PS) -23219 + (NN) -7428 + (LL) 100
1D Compatibility (HY) -22400 + (ID) 6750
Total energy: -179930.0 ( -99.63 by residue)
QMean score : 0.545
(partial model without unconserved sides chains):
PDB file :
Tito_1KDR.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1KDR-query.scw
PDB file :
Tito_Scwrl_1KDR.pdb
: