Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
---------MSKVLEAKQSAVEEIKTKLSASASTVIVDYRGLNVGEITDLRKQLRDAGIE-FKVYKNSL----TRR-AVEANGYEGLEGALTGPNAIAFSNEDVVAPAKILNDFAKDHEALEIKAGVIEGKVASLEE-IKALAT-LPSREGLL-SMLCNVLQAPVRGLAIATKAVADQKEGQEA
3NKU Chain:A ((12-205))
GSLYSDERDKPLLSPTAQKKFEEYQNKL-ANLSKIIRENEGNEVSPWQEWENGLRQIYKEMIYDAFDALGVEMPKDMEVHFAGSSDLDAFVIVKND--EDIKKVKPVFDALNNLCQRIFTASINPSRLIGTPDDLFGMLKD--GMVADVEATAMSILTSKPVLPRYELGEELRDKIKQEPS---
General information:
TITO was launched using:
RESULT:
Template:
3NKU.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -6709 for 1054 contacts (-6.4/contact) +
2D Compatibility (PS) -16599 + (NN) -3745 + (LL) 1008
1D Compatibility (HY) -1200 + (ID) 1550
Total energy: -28795.0 ( -27.32 by residue)
QMean score : 0.308
(partial model without unconserved sides chains):
PDB file :
Tito_3NKU.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3NKU-query.scw
PDB file :
Tito_Scwrl_3NKU.pdb
: