Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MPRTLAFVSTLLLAAFCALPAQADSFIMRLLNKPVPGGVAVVDLGEEGPPPRAFYQGKPVLVVREEGRRWIAVVGIPLSTKPGPQKLEVRAATGNHEERFSVGSKHYREQRITLKNKRQVNPLPEDLKRIERELAEQTAAYRRFSPGLPSNLMLDKPVDGPLSSPFGLRRFFNGEERNPHSGLDFAVPAGTPIKAPAAGKVILIGDYFFNGKTVFVDHGQGFISMFCHLSKIDVKLGQQVPRGGVLGKVGATGRATGPHMHWNVSLNDARVDPAIFIGAFQP
2HSI Chain:B ((25-280))
------------------------SFIMRLLNKPVPGGVAVVDLGEEGPPPRAFYQGKPVLVVREEGRRWIAVVGIPLSTKPGPQKLEVRAATGNHEERFSVGSK-----------------LPEDLKRIERELAEQTAAYRRFSPGLPSNLMLDKPVDGPLSSPFG-----------PHSGLDFAVPAGTPIKAPAAGKVILIGDYFFNGKTVFVDHGQGFISMFCHLSKIDVKLGQQVPRGGVLGKVGATGRATGPHMHWNVSLNDARVDPAIFIGAF--
General information:
TITO was launched using:
RESULT:
Template:
2HSI.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -122433 for 1879 contacts (-65.2/contact) +
2D Compatibility (PS) -24219 + (NN) -7933 + (LL) 4232
1D Compatibility (HY) -30000 + (ID) 11400
Total energy: -191753.0 ( -102.05 by residue)
QMean score : 0.610
(partial model without unconserved sides chains):
PDB file :
Tito_2HSI.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2HSI-query.scw
PDB file :
Tito_Scwrl_2HSI.pdb
: