Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MLNHKFLQVLKYEGVVSITSW-TELAPHVTNTWNSYLTITDDQRILAPAAGMTHLENDLNNNSKIIMTLGSREVEGRDGYQGTGFRIEGTAKLLEAGSDFEIVKKKYPFLRKVLEVTPINVIQLL
3A6R Chain:A ((1-122))
MLPGTFFEVLKNQGVVAIATQGEDG-PHLVNTWNSYLKVLDGNRIVVPVGGMHKTEANVARDERVLMTLGSRKVAGRN-GPGTGFLIRGSAAFRTDGPEFEAI-ARFKWARAALVITVVSAEQTL
General information:
TITO was launched using:
RESULT:
Template:
3A6R.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -85733 for 911 contacts (-94.1/contact) +
2D Compatibility (PS) -12906 + (NN) -4379 + (LL) 36
1D Compatibility (HY) -8800 + (ID) 2500
Total energy: -114282.0 ( -125.45 by residue)
QMean score : 0.483
(partial model without unconserved sides chains):
PDB file :
Tito_3A6R.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3A6R-query.scw
PDB file :
Tito_Scwrl_3A6R.pdb
: