Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MAIRKLVVMSDSHGDRDIVKDIKNHYLGKVDAIFHNGDSELPSSDPIWEGIHVVTGNCDYDSGYPEVLVTKIDNTVIVQTHGHLHQINFTWDKLDLLAQQEDADICLYGHLHRADAWKNGKTIFINPGSVLQPRGPINEKLYAVVTITDSKVLVEYYTRQHQPYPNLTKEFSR
3CK2 Chain:A ((5-176))
-AKQTIIVMSDSHGDSLIVEEVRDRYVGKVDAVFHNGDSELRPDSPLWEGIRVVKGNMDFYAGYPERLVTELGSTKIIQTHGHLFDINFNFQKLDYWAQEEEAAICLYGHLHVPSAWLEGKILFLNPGSISQPRGTIRECLYARVEIDDSYFKVDFLTRDHEVYPGLSKEFSR
General information:
TITO was launched using:
RESULT:
Template:
3CK2.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -89226 for 1433 contacts (-62.3/contact) +
2D Compatibility (PS) -20035 + (NN) -20557 + (LL) 208
1D Compatibility (HY) -19600 + (ID) 5100
Total energy: -154310.0 ( -107.68 by residue)
QMean score : 0.585
(partial model without unconserved sides chains):
PDB file :
Tito_3CK2.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3CK2-query.scw
PDB file :
Tito_Scwrl_3CK2.pdb
: