Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MQKKIFLLEDDYLLSESIKEFLEHLGYEVFCAFNGKEAHERLSVERFNLLLLDVQVPEMNSLELFKRIKNDFLISTPVIFITALQDNATLKNAFNLGASDYLKKPFDLDELEARIKRFFNDDPIEIMPNIFYHQHALNV------KGKKEI-LAPKTAQLLEYFLEHKGQIISSQALENNLWEQAIDDSTLRTYIKVLR----KLLGKNCIETHKGVGYRFNPL
1KGS Chain:A ((4-220))
---RVLVVEDERDLADLITEALKKEMFTVDVCYDGEEGMYMALNEPFDVVILDIMLPVHDGWEILKSMRESG-VNTPVLMLTALSDVEYRVKGLNMGADDYLPKPFDLRELIARVRALIRRKSESKSTKLVCGDLILDTATKKAYRGSKEIDLTKKEYQILEYLVMNKNRVVTKEELQEHLW---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) -131102 for 1441 contacts (-91.0/contact) +
2D Compatibility (PS) -21729 + (NN) -10234 + (LL) 936
1D Compatibility (HY) -18400 + (ID) 3300
Total energy: -183829.0 ( -127.57 by residue)
QMean score : 0.581
(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
: