Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MNGAVPMLAIDGPSGAGKGTVAGLLARRLGWNLLDSGALYRLLAFAAVNHGVDLTNEEALKVLAAHLDVQFVAADGSHGQRIILEGEEVTDVIRTEQVGAGASQVAALPAVRDALLQRQRAFREAPGLVADGRDMGTVVFPDAPLKIFLTASAEERARRRYLQLKAKGADVDQSALLEEIRERDERDSQRAVAPLKPADDAILLDSTEMSIEAVVETIIRHCERQGWDV
1KDT Chain:A ((3-223))
--AIAPVITIDGPSGAGKGTLCKAMAEALQWHLLDSGAIYRVLALAALHHHVDVASEDALVPLASHLDVRFVSTNGN--LEVILEGEDVSGEIRTQEVANAASQVAAFPRVREALLRRQRAFRELPGLIADGRDMGTVVFPDAPVKIFLDASSEERAHRRMLQLQEKGFSVNFERLLAEIKERDDRDRNRAVAPLVPAADALVLDSTTLSIEQVIEKALQYARQK----
General information:
TITO was launched using:
RESULT:
Template:
1KDT.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -127599 for 1825 contacts (-69.9/contact) +
2D Compatibility (PS) -24409 + (NN) -16170 + (LL) 100
1D Compatibility (HY) -22400 + (ID) 6750
Total energy: -197228.0 ( -108.07 by residue)
QMean score : 0.575
(partial model without unconserved sides chains):
PDB file :
Tito_1KDT.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1KDT-query.scw
PDB file :
Tito_Scwrl_1KDT.pdb
: