Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSDAISFRPMTEADLDAVLKIEYAAFSHPWTRGIFSEGLKNYHC--WLMFEGSQQVGHGVIQI------------ILDEAHLLNITVKPESQGRGLGLRLLEHLMREAAG-HQARECFLEVRASNQAAYRLYERYGFNEIGRRRDYYPAVGGREDALVMACTLFD
4R3K Chain:A ((21-167))
-------------DIDQIIKINRLTLPENYPYYFFVEHLKEYGLAFFVAIVDNSVVGYIMPRIEWGFSNIKQLPSLVRKGHVVSIAVLEEYRRKGIATTLLEASMKSMKNDYNAEEIYLEVRVSNYPAIALYEKLNFKKVKVLKGYY---ADGEDAYLMARPL--
General information:
TITO was launched using:
RESULT:
Template:
4R3K.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -81795 for 918 contacts (-89.1/contact) +
2D Compatibility (PS) -14443 + (NN) -4879 + (LL) 1276
1D Compatibility (HY) -14800 + (ID) 2100
Total energy: -116741.0 ( -127.17 by residue)
QMean score : 0.390
(partial model without unconserved sides chains):
PDB file :
Tito_4R3K.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4R3K-query.scw
PDB file :
Tito_Scwrl_4R3K.pdb
: