Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MNPTFHADKPIYSQISDWMKKQMITGEWKGEDKLPSVREMGVQLAVNPNTVSRAYQELERAGYIYAKRGMGSFVTSDKALFDQLKIELADAITERFLEEAKSIGLDDQAAIELLIKRSRNHE
3NEU Chain:A ((5-123))
-NPTFHADKPIYSQISDWMKKQMITGEWKGEDKLPSVREMGVKLAVNPNTVSRAYQELERAGYIYAKRGMGSFVTSDKALFDQLKKELADAITERFLEEAKSIGLDDQTAIELLIKRSRN--
General information:
TITO was launched using:
RESULT:
Template:
3NEU.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -36392 for 725 contacts (-50.2/contact) +
2D Compatibility (PS) -13290 + (NN) -7444 + (LL) 356
1D Compatibility (HY) -14400 + (ID) 5800
Total energy: -76970.0 ( -106.17 by residue)
QMean score : 0.682
(partial model without unconserved sides chains):
PDB file :
Tito_3NEU.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3NEU-query.scw
PDB file :
Tito_Scwrl_3NEU.pdb
: