Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKGYRILIVEDDVMIGDLLQKILQREGYRVIWKTDGADVLSVI--QKVDLVIMDVMLPGEDGYQMSAKIKKLGLGIPVIFLSARNDMDSKLQGLQIG-EDYMVKPFDPRELLLRMRNMLEHHYGTFTQ---IKHLYIDAVTKKVFNESLHDEVLFTAIERKIFFYLYENRDSILTKEHFFEYLWQLEDRNPNIVNVHIKKIRAKINDQA--GEMIENIYGEGYRLNTVVKK
2GWR Chain:A ((5-228))
--RQRILVVDDDASLAEMLTIVLRGEGFDTAVIGDGTQALTAVRELRPDLVLLDLMLPGMNGIDVCRVLRAD-SGVPIVMLTAKTDTVDVVLGLESGADDYIMKPFKPKELVARVRARLRRNDDEPAEMLSIADVEIDVPAHKVT--RNGEQISLTPLEFDLLVALARKPRQVFTRDVLLEQVWGYR-ADTRLVNVHVQRLRAKVEKDPENPTVVLTVRGVGYKAGPP---
General information:
TITO was launched using:
RESULT:
Template:
2GWR.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -149757 for 1681 contacts (-89.1/contact) +
2D Compatibility (PS) -23287 + (NN) -13578 + (LL) 368
1D Compatibility (HY) -15600 + (ID) 3100
Total energy: -204954.0 ( -121.92 by residue)
QMean score : 0.533
(partial model without unconserved sides chains):
PDB file :
Tito_2GWR.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2GWR-query.scw
PDB file :
Tito_Scwrl_2GWR.pdb
: