Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MDRKTLDDTSKFLSYVLRHQPEAIGLTLDGEGWADIDALIAGAARDGRALDRMLLGAVVENNDKKRFALSADGQRIRAVQGHSHAAVAIAYAPAVPPAVLYHGTASRFLDSIRERGLVPGSRHHVHLSARRATALEVGRRYGSPVLLEIDARDMHLAGHLFHQAENGVWLTERVPVRFIREA
2VOO Chain:A ((42-83))
-----------------------------DEGWVPLEIMIKFNRLNRLTTDFNVIVEALSKSKAELMEISEDKTKIRRSPSKPLPEVTDEYKNDVKNRSVYIKGFPTDATLDDIKEWLEDKGQVLNIQMRRTLHKAFKGSIFVVFDSIESAKKFVETPGQKYKETDLLILFKDDY-------
General information:
TITO was launched using:
RESULT:
Template:
2VOO.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -10702 for 200 contacts (-53.5/contact) +
2D Compatibility (PS) -4614 + (NN) -2733 + (LL) 2352
1D Compatibility (HY) -2400 + (ID) 300
Total energy: -18397.0 ( -91.99 by residue)
QMean score : 0.260
(partial model without unconserved sides chains):
PDB file :
Tito_2VOO.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2VOO-query.scw
PDB file :
Tito_Scwrl_2VOO.pdb
: