Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MRVLLIEKNSVLGGEIEKGLNVKGFMADVTESLEDGEYLMDIRNYDLV----MVSDKNALSFVSRIKEKHSSIVVLVSSDNPTSEEEVHAFEQGADDYIAKPYRSIKALVARIEARLRFWG---SNVIEIGDLTISPDEEKIIYKGREVEVKGKPFEVLTHLARHRDQIVSKEQLLDAIWEEPEMVTPNVIEVAINQIRQKMDKPLGISTVETVRRRGYRFCYPKPACEE
1KGS Chain:A ((4-224))
-RVLVVEDERDLADLITEALKKEMFTVDVCYDGEEGMYMALNEPFDVVILDIMLPVHDGWEILKSMRESGVNTPVLMLTALSDVEYRVKGLNMGADDYLPKPF-DLRELIARVRALIRRKSESKSTKLVCGDLILDTATKKAYRGSKEIDLTKKEYQILEYLVMNKNRVVTKEELQEHLW-----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) -89213 for 1531 contacts (-58.3/contact) +
2D Compatibility (PS) -22688 + (NN) -10077 + (LL) 776
1D Compatibility (HY) -16000 + (ID) 2950
Total energy: -140152.0 ( -91.54 by residue)
QMean score : 0.452
(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
: