Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKFDDSKPIYKQIVHYIHTEIVTGTYEAGDKLLSVRELATKLEVNPTTIQRAYAELEETEIIYTVRGTGKYLTEDKRRIEQLENDIAKQLTENFISEMSKLGINKEKIIAWVKKVEEVEVNVSGK
3NEU Chain:A ((8-114))
--FHADKPIYSQISDWMKKQMITGEWKGEDKLPSVREMGVKLAVNPNTVSRAYQELERAGYIYAKRGMGSFVTSDKALFDQLKKELADAITERFLEEAKSIGLDDQTAI----------------
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) -55623 for 659 contacts (-84.4/contact) +
2D Compatibility (PS) -11342 + (NN) -1998 + (LL) 1756
1D Compatibility (HY) -10400 + (ID) 2250
Total energy: -79857.0 ( -121.18 by residue)
QMean score : 0.671
(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
: