Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MRVLLLGPPGAGKGTQAVKLAEKLGIPQISTGELFRRNIEEGTKLGVEAKRYLDAGDLVPSDLTNELVDDRLNNPDAANGFILDGYPRSVEQAKALHEMLERRGTDIDAVLEFRVSEEVLLERLKGR-------------------------------GRADDTDDVILNRMKVYRDETAPLLEYY--RDQLKTVDAVGTMDEVFARALRALGK
1AK2 Chain:A ((17-230))
VRAVLLGPPGAGKGTQAPKLAKNFCVCHLATGDMLRAMVASGSELGKKLKATMDAGKLVSDEMVLELIEKNLETPPCKNGFLLDGFPRTVRQAEMLDDLMEKRKEKLDSVIEFSIPDSLLIRRITGRLIHPQSGRSYHEEFNPPKEPMKDDITGEPLIRRSDDNKKALKIRLEAYHTQTTPLVEYYSKRGIHSAIDASQTPDVVFASILAAFSK
General information:
TITO was launched using:
RESULT:
Template:
1AK2.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -73993 for 1309 contacts (-56.5/contact) +
2D Compatibility (PS) -20614 + (NN) -18550 + (LL) 0
1D Compatibility (HY) -15200 + (ID) 3850
Total energy: -132207.0 ( -101.00 by residue)
QMean score : 0.716
(partial model without unconserved sides chains):
PDB file :
Tito_1AK2.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1AK2-query.scw
PDB file :
Tito_Scwrl_1AK2.pdb
: