Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKIGIIGAMEEEVTLLRDKIENRQTISLGGCEIYTGQLNGTEVALLKSGIGKVAAALGATLLLEHCKPDVIINTGSAGGLAPTLKVGDIVVSDEARYHDADVTAFGYEYGQLPGCPAGFKADDKLIAAAEACIAELNLNAVRGLIVSGDAFINGSVGLAKIRHNFPQAIAVEMEATAIAHVCHNFNVPFVVVRAISDVADQQSHLSFDEFLAVAAKQSSLMVESLVQKLAHG
1NC1 Chain:B ((11-242))
MKIGIIGAMEEEVTLLRDKIENRQTISLGGCEIYTGQLNGTEVALLKSGIGKVAAALGATLLLEHCKPDVIINTGSAGGLAPTLKVGDIVVSDEARYHDADVTAFGYEYGQLPGCPAGFKADDKLIAAAEACIAELNLNAVRGLIVSGDAFINGSVGLAKIRHNFPQAIAVEMEATAIAHVCHNFNVPFVVVRAISDVADQQSHLSFDEFLAVAAKQSSLMVESLVQKLAHG
General information:
TITO was launched using:
RESULT:
Template:
1NC1.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -173463 for 2108 contacts (-82.3/contact) +
2D Compatibility (PS) -25498 + (NN) -18515 + (LL) 0
1D Compatibility (HY) -33200 + (ID) 11600
Total energy: -262276.0 ( -124.42 by residue)
QMean score : 0.813
(partial model without unconserved sides chains):
PDB file :
Tito_1NC1.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1NC1-query.scw
PDB file :
Tito_Scwrl_1NC1.pdb
: