Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MPRTLAFVSTLLLAAFCALPAQADSFIMRLLNKPVPGGVAVVDLGEEGPPPRAFYQGKPVLVVREEGRRWIAVVGIPLSTKPGPQKLEVRAATGNHEERFSVGSKHYREQRITLKNKRQVNPLPEDLKRIERELAEQTAAYRRFSPGLPSNLMLDKPVDGPLSSPFGLRRFFNGEERNPHSGLDFAVPAGTPIKAPAAGKVILIGDYFFNGKTVFVDHGQGFISMFCHLSKIDVKLGQQVPRGGVLGKVGATGRATGPHMHWNVSLNDARVDPAIFIGAFQP
2HSI Chain:A ((25-281))
------------------------SFIMRLLNKPVPGGVAVVDLGEEGPPPRAFYQGKPVLVVREEGRRWIAVVGIPLSTKPGPQKLEVRAATGNHEERFSV------------------GSKPEDLKRIERELAEQTAAYRRFSPGLPSNLMLDKPVDGPLSSP------------FPHSGLDFAVPAGTPIKAPAAGKVILIGDYFFNGKTVFVDHGQGFISMFCHLSKIDVKLGQQVPRGGVLGKVGATGRATGPHMHWNVSLNDARVDPAIFIGAFQ-
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) -110393 for 1869 contacts (-59.1/contact) +
2D Compatibility (PS) -24257 + (NN) -11401 + (LL) 4236
1D Compatibility (HY) -28800 + (ID) 11150
Total energy: -181765.0 ( -97.25 by residue)
QMean score : 0.612
(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
: