Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MTLSILVAHDLQRVIGFENQLPW-HLPNDLKHVKKLST-------------GHTLVMGRKTFESIG---KPLPNRRNVVLTSDTSFNVEGVDVIHSIEDIYQLP------GHVFIFGGQTLFEEMID--KVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIRKK
3NRR Chain:A ((13-197))
GDLTIFVAVALNKVIGHKNQIPWPHITHDFRFLRNGTTYIPPEVLSKNPDIQNVVIFGRKTYESIPKASLPLKNRINVILSRTVKEV-PGCLVYEDLSTAIRDLRANVPHNKIFILGGSFLYKEVLDNGLCDKIYLTRLNKEYPGDTYFPDIP-DTFEITAISPT--FSTDFVSYDFVIYERK-
General information:
TITO was launched using:
RESULT:
Template:
3NRR.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -108231 for 1140 contacts (-94.9/contact) +
2D Compatibility (PS) -16812 + (NN) -4551 + (LL) 628
1D Compatibility (HY) -16000 + (ID) 2500
Total energy: -147466.0 ( -129.36 by residue)
QMean score : 0.564
(partial model without unconserved sides chains):
PDB file :
Tito_3NRR.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3NRR-query.scw
PDB file :
Tito_Scwrl_3NRR.pdb
: