Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MRFLNNKHREKGLKAEEEACGFLKTLGFEMIERNFFSQFGEIDIIALKKGVLHFIEVKSGENFDPIYAITPSKLKKMIKTIRC-----YLSQKDPNSDFCIDALIVKNGKFEL-------LENITF
1IPI Chain:A ((1-114))
-------MYRKGAQAERELIKLLEKHGFAVVRS---AGSKKVDLVAGNGKKYLCIEVKVTKK--DHLYVGKRDMGRLIEFSRRFGGIPVLAVKFLNVGWRFIEVSPKIEKFVFTPSSGVSLEVLLG
General information:
TITO was launched using:
RESULT:
Template:
1IPI.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -38912 for 673 contacts (-57.8/contact) +
2D Compatibility (PS) -11142 + (NN) -3232 + (LL) 760
1D Compatibility (HY) -6000 + (ID) 1200
Total energy: -59726.0 ( -88.75 by residue)
QMean score : 0.414
(partial model without unconserved sides chains):
PDB file :
Tito_1IPI.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1IPI-query.scw
PDB file :
Tito_Scwrl_1IPI.pdb
: