Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKILTVEDDKLIREGISEYLSEFGYTVIQAKDGREALSKFN-SDINLVILDIQIPFINGLEVLKEIRK-KSNLPILILTAFSDEEYKIDAFTNLVDGYVEKPFSLPVLKARIDSLIKKNFG-HLEKFEYKNLSVNFNSYTAKINDEKIDVNAKELEILKCLLDNDGQVLTRMQIIDYVWKDSEEIPYDRVVDVYIKELRKKLQL----DCITTIRNVGYKLERK
1KGS Chain:A ((4-224))
-RVLVVEDERDLADLITEALKKEMFTVDVCYDGEEGMYMALNEPFDVVILDIMLPVHDGWEILKSMRESGVNTPVLMLTALSDVEYRVKGLNMGADDYLPKPFDLRELIARVRALIRRKSESKSTKLVCGDLILDTATKKAYRGSKEIDLTKKEYQILEYLVMNKNRVVTKEELQEHLW------VFSDVLRSHIKNLRKKVDKGFKKKIIHTVRGIGYVARDE
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) -121505 for 1589 contacts (-76.5/contact) +
2D Compatibility (PS) -23150 + (NN) -10990 + (LL) 580
1D Compatibility (HY) -17200 + (ID) 3500
Total energy: -175765.0 ( -110.61 by residue)
QMean score : 0.619
(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
: