Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKLLVAEDQSMLRDAMCQLLLMEESVSTIDQAGNGGEAIAILSNKAIDVAILDVEMPILSGLDVLEWVRK-YQNVKVIIVTTFKRSGYFQRAIRSNVDAYVLKDRSVADLMKTIQKVLSGGKEYSP------EL---------MENVISNPLSEQEIKILSLIAQGK----TSKEIACTLFLSNGTVRNYTSNIFDKLGVNNRLEALKIAREKDWL
1KGS Chain:A ((4-221))
-RVLVVEDERDLADLITEALKK-EMFT-VDVCYDGEEGMYMALNEPFDVVILDIMLPVHDGWEILKSMRESGVNTPVLMLTALSDVEYRVKGLNMGADDYLPKPFDLRELIARVRALIRRKSESKSTKLVCGDLILDTATKKAYRGSKEIDLTKKEYQILEYLVMNKNRVVTKEELQEHLWVFSDVLRSHIKNLRKKVDKGFKKKIIHTVRGIGYV
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) -122546 for 1373 contacts (-89.3/contact) +
2D Compatibility (PS) -20546 + (NN) -6045 + (LL) 364
1D Compatibility (HY) -12800 + (ID) 2150
Total energy: -163723.0 ( -119.24 by residue)
QMean score : 0.403
(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
: