Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSHIKAENIIVSYDQKEIINNLSLSILNQKITTIIGANGCGKSTLLKALTRIHKIKDGTITIDGHDIAHLPTKEI-AKKIALLPQVLEATEGITVYELISYGRFPHQ------KYLGNL---TNDDRSKIHWAMEMTNVAQFANRDVDDLSGGQRQKVWIAMALAQDTDTIFLDEPTTYLDMNHQLEVLELLKKLNNETQKTIIMVLHDLNLSARYSDYLVAMKTGKIIYEGSPSQIMTKDIIKDIFKIDAHIIQDPISKQPVLLSYQLSTDQN
1G6H Chain:A ((5-243))
MEILRTENIVKYFGEFKALDGVSISVNKGDVTLIIGPNGSGKSTLINVITGFLKADEGRVYFENKDITNKEPAELYHYGIVRTFQTPQPLKEMTVLENLLIGEICPGESPLNSLFYKKWIPKEEEMVEKAFKILEFLKLSHLYDRKAGELSGGQMKLVEIGRALMTNPKMIVMDEPIAGVAPGLAHDIFNHVLELKA-KGITFLIIEHRLDIVLNYIDHLYVMFNGQIIAEGRGEEEIKNVLSDPKVVEIYIGE--------------------
General information:
TITO was launched using:
RESULT:
Template:
1G6H.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -152311 for 1809 contacts (-84.2/contact) +
2D Compatibility (PS) -24910 + (NN) -9753 + (LL) 1692
1D Compatibility (HY) -14000 + (ID) 2900
Total energy: -202182.0 ( -111.76 by residue)
QMean score : 0.464
(partial model without unconserved sides chains):
PDB file :
Tito_1G6H.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1G6H-query.scw
PDB file :
Tito_Scwrl_1G6H.pdb
: