Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKQILVVDDDRHILKLVGHYLRAEGFHVLEASDGVEAEKIVETEQVHLAVIDVMMPNMDGFELCQKMRASYPDIPVIMLTAKDALADKSRGFEVGTDDYVTKPFEPEELIFRIRALLRRSNQASEVKINIGNITIDQKSYGIKIGNQERMIPVKEFELLYQLASYPGRIFTREELIERIWQRDYDGSDRTVDVHIKRLRDHFDEEKDGIRIVTVRGVGYKLEETR
1KGS Chain:A ((4-220))
--RVLVVEDERDLADLITEALKKEMFTVDVCYDGEEGMYMALNEPFDVVILDIMLPVHDGWEILKSMRESGVNTPVLMLTALSDVEYRVKGLNMGADDYLPKPFDLRELIARVRALIRRKSESKSTKLVCGDLILDTATKKAYRGSKEIDLTKKEYQILEYLVMNKNRVVTKEELQEHLW-----VFSDVLRSHIKNLRKKVDKGFKKKIIHTVRGIGY------
General information:
TITO was launched using:
RESULT:
Template:
1KGS.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -109447 for 1580 contacts (-69.3/contact) +
2D Compatibility (PS) -23531 + (NN) -15310 + (LL) 1032
1D Compatibility (HY) -15200 + (ID) 3750
Total energy: -166206.0 ( -105.19 by residue)
QMean score : 0.565
(partial model without unconserved sides chains):
PDB file :
Tito_1KGS.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1KGS-query.scw
PDB file :
Tito_Scwrl_1KGS.pdb
: