Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKIGIIGAMEEEVTLLRDKIENRQTITIGGSEIYTGQLHGVDVALLKSGIGKVAAATGATLLLERCQPDVIINTGSAGGLAPTLKVGDIVVSDEARYHDADVTAFGYEYGQLPGCPAGFKADDKLVAAAEDCIKALDLNAVRGLIVSGDAFINGSVALAKIRHNFPQAIAVEMEATAIAHVCHNFKVPFVVVRAISDVADQQSHLSFEEFLAVAARQSTLMVENLVQNLARG
1NC3 Chain:A ((11-242))
MKIGIIGAMEEEVTLLRDKIENRQTISLGGCEIYTGQLNGTEVALLKSGIGKVAAALGATLLLEHCKPDVIINTGSAGGLAPTLKVGDIVVSDEARYHDADVTAFGYEYGQLPGCPAGFKADDKLIAAAEACIAELNLNAVRGLIVSGDAFINGSVGLAKIRHNFPQAIAVEMEATAIAHVCHNFNVPFVVVRAISDVADQQSHLSFDEFLAVAAKQSSLMVESLVQKLAHG
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) -177074 for 2117 contacts (-83.6/contact) +
2D Compatibility (PS) -25544 + (NN) -20770 + (LL) 0
1D Compatibility (HY) -32000 + (ID) 10500
Total energy: -265888.0 ( -125.60 by residue)
QMean score : 0.630
(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
: