Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MANYPQLNKEVQQGEIKVVMHTNKGDMTFKLFPNIAPKTVENFVTHAKNGYYDGITFHRVINDFMIQGGDPTATGMGGESIYGGAFEDEFSLN-AFNLYGALSMANSGPNTNGSQFFIVQMKEVPQNMLSQLADGGWPQPIVDAYGEKGGTPWLDQKHTVFGQIIDGETTLEDIANTKVG-PQDKPLHDVVIESIDVEE
2OK3 Chain:A ((2-156))
----------------SVTLHTDVGDIKIEVFCERTPKTCENFLALCASNYYNGCIFHRNIKGFMVQTGDPTGTGRGGNSIWGKKFEDEYSEYLKHNVRGVVSMANNGPNTNGSQFFITYGKQP----------------------------HLDMKYTVFGKVIDGLETLDELEKLPVNEKTYRPLNDVHIKDITIHA
General information:
TITO was launched using:
RESULT:
Template:
2OK3.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -51144 for 1185 contacts (-43.2/contact) +
2D Compatibility (PS) -16242 + (NN) -5783 + (LL) 1568
1D Compatibility (HY) -11200 + (ID) 3750
Total energy: -86551.0 ( -73.04 by residue)
QMean score : 0.573
(partial model without unconserved sides chains):
PDB file :
Tito_2OK3.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2OK3-query.scw
PDB file :
Tito_Scwrl_2OK3.pdb
: