Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKIGQYDIT-GKACIMGILNVTPDSFSDGGSYTTIDSALNQVGEMLEQGVAIVDIGGESTRPGAVFVTAEEEIKRVVPMIKAIREVYPDLLLSIDTYKTEVAQAALDAGVHILNDVWSGLYDGKMLSLAAERNVPIILMH--------NQEEAVYQDIKKEVCEFLLERAERALEAGVSKDNIWIDPGFGFAKT-EEQNLELLKGLEQVCDL-----GYPVLFGISRKRTVNYLLGGNREVTERDMGTAALSAWAIAKGCQIVRVHNVEVNKDIVTVISQLV
2Y5S Chain:B ((11-283))
LQCGRFELTFERPLVMGILNATP----------ARDDALRRAERMIAEGADLLDIGGESTRPGAPPVPLDEELARVIPLVEALRPL--NVPLSIDTYKPAVMRAALAAGADLINDIW-GFRQPGAIDAVRDGNSGLCAMHMLGEPQTMQVGEPDYGDVVTDVRDFLAARAQALRDAGVAAERICVDPGFGFGKAVVDDNYALLAALPDTAPARPDGRAYPILAGMSRKSMLGAVIGGKPPL-ERVAASVAAALCAVERGAAIVRVHDVAATVDALSVWNAVR
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) -197595 for 2153 contacts (-91.8/contact) +
2D Compatibility (PS) -27275 + (NN) -12786 + (LL) -328
1D Compatibility (HY) -16800 + (ID) 4900
Total energy: -259684.0 ( -120.61 by residue)
QMean score : 0.532
(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
: