Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKIGQYDITG-KACIMGILNVTPDSFSDGGSYTTIDSALNQVGEMLEQGVAIVDIGGESTRPGAVFVTAEEEIKRVVPMIKAIREVYPDLLLSIDTYKTEVAQAALDAGVHILNDVWSGLYDGKMLSLAAERNVPIILMHNQEEAV--------YQDIKKEVCEFLLERAERALEAGVSKDNIWIDPGFGFAKTE-EQNLELLKGLEQVC-----DLGYPVLFGISRKRTVNYLLGGNREVTERDMGTAALSAWAIAKGCQIVRVHNVEVNKDIVTVISQLV
2Y5S Chain:A ((12-288))
-QCGRFELTFERPLVMGILNATP----------ARDDALRRAERMIAEGADLLDIGGESTRPGAPPVPLDEELARVIPLVEALRPL--NVPLSIDTYKPAVMRAALAAGADLINDIWGFRQ-PGAIDAVRDGNSGLCAMHMLGEPQTMQVGEPDYGDVVTDVRDFLAARAQALRDAGVAAERICVDPGFGFGKAVVDDNYALLAALPDTAPARPDGRAYPILAGMSRKSMLGAVIGGK-PPLERVAASVAAALCAVERGAAIVRVHDVAATVDALSVWNAVR
General information:
TITO was launched using:
RESULT:
Template:
2Y5S.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -199415 for 2187 contacts (-91.2/contact) +
2D Compatibility (PS) -27693 + (NN) -12956 + (LL) -120
1D Compatibility (HY) -15200 + (ID) 4850
Total energy: -260234.0 ( -118.99 by residue)
QMean score : 0.560
(partial model without unconserved sides chains):
PDB file :
Tito_2Y5S.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2Y5S-query.scw
PDB file :
Tito_Scwrl_2Y5S.pdb
: