Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKFDDSKPIYKQIVHYIHTEIVTGTYEAGDKLLSVRELATKLEVNPTTIQRAYAELEETEIIYTVRGTGKYLTEDKRRIEQLENDIAK-QLTENFISEMSKLGINKEKIIAWVKKVEEVEVNVSGK
3NEU Chain:A ((7-122))
-TFHADKPIYSQISDWMKKQMITGEWKGEDKLPSVREMGVKLAVNPNTVSRAYQELERAGYIYAKRGMGSFVTSDKALFDQL-KKELADAITERFLEEAKSIGLDDQTAIELLIKRSR--------
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) -55661 for 693 contacts (-80.3/contact) +
2D Compatibility (PS) -12279 + (NN) -3421 + (LL) 776
1D Compatibility (HY) -10000 + (ID) 2250
Total energy: -82835.0 ( -119.53 by residue)
QMean score : 0.654
(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
: