Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MRVLIAEDEEQMSRVLSTAISHQGYVVDVAYDGQTAIDLANQNAYDVMVMDVMMPVKTGVEAVKEIRQSGNKSHIIMLTAMAEIDDRVTGLDAGADDYLTKPFSLKELLARLRSMSRRLEDFTPNVLSLGRVTLSVGEQELQCENTIRLAGKEAKMLAFFMLNHDKELSTQQLFEHVWGADKDQEDVDEGYVFIYVSYLRQKLQAISANLEIIGQEGSSYKLSEINGG
3NNN Chain:A ((3-120))
VRVLVVEDERDLADLITEALKKEMFTVDVCYDGEEGMYMALNEPFDVVILDIMLPVHDGWEILKSMRESGVNTPVLMLTALSDVEYRVKGLNMGADDYLPKPFDLRELIARVRALIRR--------------------------------------------------------------------------------------------------------------
General information:
TITO was launched using:
RESULT:
Template:
3NNN.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -77568 for 958 contacts (-81.0/contact) +
2D Compatibility (PS) -12913 + (NN) -7319 + (LL) 7972
1D Compatibility (HY) -16400 + (ID) 2550
Total energy: -108778.0 ( -113.55 by residue)
QMean score : 0.521
(partial model without unconserved sides chains):
PDB file :
Tito_3NNN.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3NNN-query.scw
PDB file :
Tito_Scwrl_3NNN.pdb
: