Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MAPKAVLVGLPGSGKSTIGRRLAKALGVGLLDTDVAIEQRTGRSIADIFATDGEQEFRRIEEDVV---RAALADHDGVLSLGGGAVTSPGVRAALAGHTVVYLEISAAEGVRRTGGNT--VRPLLAGPDRAEKYRALMAKRAPLYRRVATMRVDTNRRNPGAVVRHILSRLQVPSPSEAAT
3N2E Chain:A ((5-145))
-----VLIGFMGSGKSSLAQELGLALKLEVLDTDMIISERVGLSVREIFEELGEDNFRMFEKNLIDELKTLKTPH--VISTGGGIVMHENLKGL---GTTFYLKMDFETLIKRLNQKERAKRPLLNNLTQA---KELFEKRQALYEKNASFIID---------------------------
General information:
TITO was launched using:
RESULT:
Template:
3N2E.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -56220 for 937 contacts (-60.0/contact) +
2D Compatibility (PS) -14889 + (NN) -2775 + (LL) 2080
1D Compatibility (HY) -12400 + (ID) 2450
Total energy: -86654.0 ( -92.48 by residue)
QMean score : 0.716
(partial model without unconserved sides chains):
PDB file :
Tito_3N2E.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3N2E-query.scw
PDB file :
Tito_Scwrl_3N2E.pdb
: