Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKIAIGCDEMGYELKQTLITRLKEKNI--EFTDFG-SFEDEKVLYPSIAEKVALEVKNNDYDRGILICGTGIGMAITANKIHGIRAAQIHDSYSAERARKSNDAHIMTMGALVIGPSLAVSLLDTWLDSDFSGGRSQA-KVDLMEEIDQKNR
3SDW Chain:A ((30-179))
LRLAIACDDAGVSYKEALKAHLSDNPLVSSITDVGVTSTTDKTAYPHVAIQAAQLIKDGKVDRALMICGTGLGVAISANKVPGIRAVTAHDTFSVERAILSNDAQVLCFGQRVIGIELAKRLAGEWLTYRFDQKSASAQKVQAISDYEKK--
General information:
TITO was launched using:
RESULT:
Template:
3SDW.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -89577 for 1175 contacts (-76.2/contact) +
2D Compatibility (PS) -15838 + (NN) -7238 + (LL) 20
1D Compatibility (HY) -10400 + (ID) 2900
Total energy: -125933.0 ( -107.18 by residue)
QMean score : 0.557
(partial model without unconserved sides chains):
PDB file :
Tito_3SDW.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3SDW-query.scw
PDB file :
Tito_Scwrl_3SDW.pdb
: