Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKILTVEDDKLIREGISEYLSEFGYTVIQAKDGREAL-SKFNSDINLVILDIQIPFINGLEVLKEIRKKS-NLPILILTAFSDEEYKIDAFTNLVDGYVEKPFSLPVLKARIDSLI-KKNFGHLEKFEYKNLSVNFNSYTAKINDEKIDVNAKELEILKCLLDNDGQVLTRMQIIDYVWKDSEEIPYDRVVDVYIKELR----KKLQLDCITTIRNVGYKLERK
1KGS Chain:A ((3-220))
VRVLVVEDERDLADLITEALKKEMFTVDVCYDGEEGMYMALNEPFDVVILDIMLPVHDGWEILKSMRESGVNTPVLMLTALSDVEYRVKGLNMGADDYLPKPFDLRELIARVRALIRRKSESKSTKLVCGDLILDTATKKAYRGSKEIDLTKKEYQILEYLVMNKNRVVTKEELQEHLW-----VFSD-VLRSHIKNLRKKVDKGFKKKIIHTVRGIGYVARDE
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) -110907 for 1490 contacts (-74.4/contact) +
2D Compatibility (PS) -22539 + (NN) -9366 + (LL) 268
1D Compatibility (HY) -18400 + (ID) 3600
Total energy: -164544.0 ( -110.43 by residue)
QMean score : 0.596
(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
: