Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MRVLIAEDEEQMSRVLSTAISHQGYVVDVAYDGQTAIDLANQNAYDVMVMDVMMPVKTGVEAVKEIRQSGNKSHIIMLTAMAEIDDRVTGLDAGADDYLTKPFSLKELLARLRSMSRRLEDFTPNVLSLGRVTLSVGEQE-LQCENTIRLAGKEAKMLAFFMLNHDKELSTQQLFEHVWGADKDQEDVDEGYVFIYVSYLRQKLQAISANLEIIGQEGSSYKLSEINGG
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) -109037 for 1619 contacts (-67.3/contact) +
2D Compatibility (PS) -23244 + (NN) -10524 + (LL) 192
1D Compatibility (HY) -20400 + (ID) 3550
Total energy: -166563.0 ( -102.88 by residue)
QMean score : 0.495
(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
: