Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MQTIKCVVVGDGAVGKTCLLISYTTNKFPSEYVPTVFDNYAVTVMIGGEPYTLGLFDTAGQEDYDRLRPLSYPQTDVFLVCFSVVSPSSFENVKEKWVPEITHHCPKTPFLLVGTQIDLRDDPSTIEKLAKNKQKPITPETAEKLARDLKAVKYVECSALTQKGLKNVFDEAILAALEPPEPKKSRRCVLL
2Q3H Chain:A ((20-196))
--GVKCVLVGDGAVGKTSLVVSYTT--------PTAFDNFSAVVSVDGRPVRLQLCDTAGQDEFDKLRPLCYTNTDIFLLCFSVVSPSSFQNVSEKWVPEIRCHCPKAPIILVGTQSDLREDVKVLIELDKCKEKPVPEEAAKLLAEEIKAASYIECSALTQKNLKEVFDAAIVAGIQY------------
General information:
TITO was launched using:
RESULT:
Template:
2Q3H.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -132369 for 1399 contacts (-94.6/contact) +
2D Compatibility (PS) -17983 + (NN) -7097 + (LL) 1388
1D Compatibility (HY) -20000 + (ID) 5150
Total energy: -181211.0 ( -129.53 by residue)
QMean score : 0.666
(partial model without unconserved sides chains):
PDB file :
Tito_2Q3H.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2Q3H-query.scw
PDB file :
Tito_Scwrl_2Q3H.pdb
: