Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MRLERIARISDGFQSMAREQNLSLSERYHKQLRRLE--KVARISDRYQQMMRDLNLALKEASIRDPLTGLPNRRMLLERLREENERSQRHGQSYVLAMLDVDFFKQVNDTWGHDSGDRVLVEIARAMESEL-REYDLCGRWGGEEFLLLLPQTRLQDAGPVLERVRDSVRTLAV----RVGTEALSVTASVGVTEHRIGETYSQTVNRADAALLDAKRSGRDKCVFAALPPLPAPSRPAPAR
3I5A Chain:A ((116-331))
---DYLVKLPDNIELVARIRYHSRS--YMTLLQRDEAYRALRVS---QQQLLDTNLVLQRLMNSDGLTGLSNRRHFDEYLELEWRRATRDQAQLSLLMIDVDYFKAYNDNFGHLEGDEALRQVAKAIRNSCSRPSDLPARYGGEEFAMVLPNTSPGGARLLAEKLRQSVAGMNIPHIAPVPGSSLTVSIGVATVTPQVGQHSRQLILDADKGLYLAKNNGRNQVAAG---------------
General information:
TITO was launched using:
RESULT:
Template:
3I5A.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -56339 for 1455 contacts (-38.7/contact) +
2D Compatibility (PS) -23076 + (NN) -11883 + (LL) 1428
1D Compatibility (HY) -11200 + (ID) 3800
Total energy: -104870.0 ( -72.08 by residue)
QMean score : 0.490
(partial model without unconserved sides chains):
PDB file :
Tito_3I5A.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3I5A-query.scw
PDB file :
Tito_Scwrl_3I5A.pdb
: