Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKIGIIGAMEEEVTLLRDKIENRQTITIGGSEIYTGQLHGVDVALLKSGIGKVAAATGATLLLERCQPDVIINTGSAGGLAPTLKVGDIVVSDEARYHDADVTAFGYEYGQLPGCPAGFKADDKLVAAAEDCIKALDLNAVRGLIVSGDAFINGSVALAKIRHNFPQAIAVEMEATAIAHVCHNFKVPFVVVRAISDVADQQSHLSFEEFLAVAARQSTLMVENLVQNLARG
1NC3 Chain:B ((11-240))
MKIGIIGAMEEEVTLLRDKIENRQTISLGGCEIYTGQLNGTEVALLKSGIGKVAAALGATLLLEHCKPDVIINTGSAGGLAPTLKVGDIVVSDEARYHDADVTAFGYEYGQLPGCPAGFKADDKLIAAAEACIAELNLNAVRGLIVSGDAFINGSVGLAKIRHNFPQAIAVEMEATAIAHVCHNFNVPFVVVRAISDVADQQSHLSFDEFLAVAAKQSSLMVESLVQKLA--
General information:
TITO was launched using:
RESULT:
Template:
1NC3.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -178132 for 2106 contacts (-84.6/contact) +
2D Compatibility (PS) -25214 + (NN) -17750 + (LL) -72
1D Compatibility (HY) -32000 + (ID) 10450
Total energy: -263618.0 ( -125.17 by residue)
QMean score : 0.633
(partial model without unconserved sides chains):
PDB file :
Tito_1NC3.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1NC3-query.scw
PDB file :
Tito_Scwrl_1NC3.pdb
: