Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MIKARFKKRLLGSRGAFDLNIDLEIKEAEVVALLGESGAGKSTILRILAGLEAVSSGYIEANHSVWLDTQKKIFLKPQQRKIGFVFQDYALFPHLNVYQNIAFA-----HPKDK--NKIHEVLRLMRLENLSQQKIPKLSGGQAQRVALARALIAAKNLLLLDEPLNALDNALKNEVQQGLLDFIKRENLSVLLVSHDPNEITKLARTFLFLNNGVIDPNQENRLFSNRLLVKPLFEDENYCHYEVIPQTISLPKDCLNPTFKLDFIQNKKF
1Z47 Chain:B ((33-225))
-------------------GVSFQIREGEMVGLLGPSGSGKTTILRLIAGLERPTKG------DVWIGGKRVTDLPPQKRNVGLVFQNYALFQHMTVYDNVSFGLREKRVPKDEMDARVRELLRFMRLESYANRFPHELSGGQQQRVALARALAPRPQVLLFDEPFAAIDTQIRRELRTFVRQVHDEMGVTSVFVTHDQEEALEVADRVLVLHEGNVEQFGTPEEVYEKPGTLFVASFIGESNVWTRAVQNGRIEVAGAALPVDPAVSEGSE
General information:
TITO was launched using:
RESULT:
Template:
1Z47.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -135721 for 1408 contacts (-96.4/contact) +
2D Compatibility (PS) -19513 + (NN) -4028 + (LL) 2044
1D Compatibility (HY) -19600 + (ID) 3950
Total energy: -180768.0 ( -128.39 by residue)
QMean score : 0.515
(partial model without unconserved sides chains):
PDB file :
Tito_1Z47.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1Z47-query.scw
PDB file :
Tito_Scwrl_1Z47.pdb
: