Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MNGAVPMLAIDGPSGAGKGTVAGLLARRLGWNLLDSGALYRLLAFAAVNHGVDLTNEEALKVLAAHLDVQFVAADGSHGQRIILEGEEVTDVIRTEQVGAGASQVAALPAVRDALLQRQRAFREAPG-LVADGRDMGTVVFPDAPLKIFLTASAEERARRRYLQLKAKGADVDQSALLEEIRERDERDSQRAVAPLKPADDAILLDSTEMSIEAVVETIIRHCERQGWDV
3R20 Chain:A ((11-222))
------VVAVDGPAGTGKSSVSRGLARALGARYLDTGAMYRIATLAVLRAGADLTDPAAIEKAAADAEIG-VGSD-PDVDAAFLAGEDVSSEIRGDAVTGAVSAVSAVPAVRTRLVDIQRKLATEGGRVVVEGRDIGTVVLPDADVKIFLTASAEERARRRNAQNVANGLPDDYATVLADVQRRDHLDSTRPVSPLRAADDALVVDTSDMDQAQVIAHLL----------
General information:
TITO was launched using:
RESULT:
Template:
3R20.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -120122 for 1700 contacts (-70.7/contact) +
2D Compatibility (PS) -23352 + (NN) -16266 + (LL) 736
1D Compatibility (HY) -14800 + (ID) 4650
Total energy: -178454.0 ( -104.97 by residue)
QMean score : 0.609
(partial model without unconserved sides chains):
PDB file :
Tito_3R20.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3R20-query.scw
PDB file :
Tito_Scwrl_3R20.pdb
: