Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSATGPFSIGERVQLTDAKGRRYTMSLTPGAEFHTHRGSIAHDAVIGLEQGSVVKSSNGALFLVLRPLLVDYVMSMPRGPQVIYPKDAAQIVHEGDIFPGARVLEAGAGSGALTLSLLRAVGPAGQVISYEQRADHAEHARRNVSGCYGQPPDNWRLVVSDLADSELPDGSVDRAVLDMLAPWEVLDAVSRLLVAGGVLMVYVATVTQLSRIVEALRA-KQCWTEPRAWETLQRGWNVVGLAVRPQHSMRGHTAFLVATRRLAPGAVAPAPLGRKREGRDG
3LGA Chain:D ((5-253))
---------GDKVVLVDPRGKRYLITVSK-RDFHTDLGILKLEEIIGRNFGEAIKSHKGHEFKILRPRIVDYLDKMKRGPQIVHPKDAALIVAYAGISPGDFIVEAGVGSGALTLFLANIVGPEGRVVSYEIREDFAKLAWENIK--WAGFDDRVTIKLKDIYEG-IEEENVDHVILDLPQPERVVEHAAKALKPGGFFVAYTPCSNQVMRLHEKLREFKDYFMKPRTINVLVFDQEVKKECMRPRTTALVHTGYITFARRI-------------------
General information:
TITO was launched using:
RESULT:
Template:
3LGA.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -160002 for 1947 contacts (-82.2/contact) +
2D Compatibility (PS) -27587 + (NN) -16510 + (LL) 416
1D Compatibility (HY) -15200 + (ID) 4550
Total energy: -223433.0 ( -114.76 by residue)
QMean score : 0.490
(partial model without unconserved sides chains):
PDB file :
Tito_3LGA.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3LGA-query.scw
PDB file :
Tito_Scwrl_3LGA.pdb
: