Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MTIGIIGAMEEEVELLKNSMSSVEEIVIGGAKFYIGEIASKEVVLLESGIGKVNAALGTTLMADRFKPEVIINTGSAGGMAEGLAVGDVIISDRLAYGDVDVTEFGYTYGQVPRMPAFYQGDAVLLKKAETIYREYFATSENKAVYGLVVTNDSFIMRPDQHEIIRTFFPDVKAVEMEAAAIAQVAYQFDIPFLIIRAISDLANQEATISFDEFIHLAAKQSATCIIELLKTI
4WKC Chain:A ((1-229))
MKIGIIGAMEEEVTLLRDKIENRQTISLGGCEIYTGQLNGTEVALLKSGIGKVAAALGATLLLEHCKPDVIINTGSAGGLAPTLKVGDIVVSDEARYHDADVTAFGYEYGQLPGCPAGFKAD----DKLIAAAEACIAELNLNAVRGLIVSGDAFINGSVGLAKIRHNFPQAIAVEMEATAIAHVCHNFNVPFVVVRAISDVADQQSHLSFDEFLAVAAKQSSLMVESLVQKL
General information:
TITO was launched using:
RESULT:
Template:
4WKC.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -167316 for 2072 contacts (-80.8/contact) +
2D Compatibility (PS) -25032 + (NN) -12550 + (LL) 688
1D Compatibility (HY) -22400 + (ID) 5700
Total energy: -232310.0 ( -112.12 by residue)
QMean score : 0.661
(partial model without unconserved sides chains):
PDB file :
Tito_4WKC.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4WKC-query.scw
PDB file :
Tito_Scwrl_4WKC.pdb
: