Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSDAISFRPMTEADLDAVLKIEYAAFSHPWTRGIFSEGLKNYHC--WLMFEGSQQVGHGVIQI------------ILDEAHLLNITVKPESQGRGLGLRLLEHLMREAAG-HQARECFLEVRASNQAAYRLYERYGFNEIGRRRDYYPAVGGREDALVMACTLFD
4R3L Chain:A ((21-167))
-------------DIDQIIKINRLTLPENYPYYFFVEHLKEYGLAFFVAIVDNSVVGYIMPRIEWGFSNIKQLPSLVRKGHVVSIAVLEEYRRKGIATTLLEASMKSMKNDYNAEEIYLEVRVSNYPAIALYEKLNFKKVKVLKGYY---ADGEDAYLMARPL--
General information:
TITO was launched using:
RESULT:
Template:
4R3L.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -86172 for 932 contacts (-92.5/contact) +
2D Compatibility (PS) -14528 + (NN) -5246 + (LL) 1276
1D Compatibility (HY) -14800 + (ID) 2100
Total energy: -121570.0 ( -130.44 by residue)
QMean score : 0.412
(partial model without unconserved sides chains):
PDB file :
Tito_4R3L.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4R3L-query.scw
PDB file :
Tito_Scwrl_4R3L.pdb
: