Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MATVEPETTPTPNPPPAEEEKTESNQEVANPEHYIKHPLQNRWALWFFKNDKSKTWQANLRLISKFDTVEDFWALYNHIQLSSNLMPGCDYSLFKDGIEPMWEDEKNKRGGRWLITLNKQQRRSDLDRFWLETLLCLIGESFDDYSDDVCGAVVNVRAKGDKIAIWTTECENRDAVTHIGRVYKERLGLPPKIVIGYQSHADTATKSGSTTKNRFVV
4AZA Chain:C ((27-217))
--------------------------EVANPEHYIKHPLQNRWALWFFKNDKSKTWQANLRLISKFDTVEDFWALYNHIQLSSNLMPGCDYSLFKDGIEPMWEDEKNKRGGRWLITLNKQQRRSDLDRFWLETLLCLIGESFDDYSDDVCGAVVNVRAKGDKIAIWTTECENREAVTHIGRVYKERLGLPPKIVIGYQSHADTATK-----KNRFVV
General information:
TITO was launched using:
RESULT:
Template:
4AZA.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -82717 for 1397 contacts (-59.2/contact) +
2D Compatibility (PS) -19480 + (NN) -7813 + (LL) 604
1D Compatibility (HY) -26800 + (ID) 9250
Total energy: -145456.0 ( -104.12 by residue)
QMean score : 0.708
(partial model without unconserved sides chains):
PDB file :
Tito_4AZA.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4AZA-query.scw
PDB file :
Tito_Scwrl_4AZA.pdb
: