Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSGLLDLLEIRKAYGD-TRV---LEGVALSLAPGEVVSLLGPSGCGKSTLLRIAAGLDDDFQGTV--ERNPILGFGPDGENGRSGGIGVVFQEPRLLPWLTVAQNVGFA---DGWLEDE--HWVERLLADVGLAGCGGLLPKQLSGGMAQRAAIARGLYGRPQVLLLDEPFSAVDAFTRMRLQDLLQDVVQNYEISVLLVTHDLDEAFYLADRVLLMGGRPGHIRREFHVPLARPRDRRAVELAYLRGEALTEMQRAHVL
3TUI Chain:H ((24-239))
---MIKLSNITKVFHQGTRTIQALNNVSLHVPAGQIYGVIGASGAGKSTLIRCVNLLERPTEGSVLVDGQELTTLSESELTKARRQIGMIFQHFNLLSSRTVFGNVALPLELDNTPKDEVKRRVTELLSLVGLGDKHDSYPSNLSGGQKQRVAIARALASNPKVLLCDQATSALDPATTRSILELLKDINRRLGLTILLITHEMDVVKRICDCVAVISN-----------------------------------------
General information:
TITO was launched using:
RESULT:
Template:
3TUI.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -155814 for 1593 contacts (-97.8/contact) +
2D Compatibility (PS) -22764 + (NN) -13435 + (LL) 3600
1D Compatibility (HY) -14800 + (ID) 3550
Total energy: -206763.0 ( -129.79 by residue)
QMean score : 0.482
(partial model without unconserved sides chains):
PDB file :
Tito_3TUI.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3TUI-query.scw
PDB file :
Tito_Scwrl_3TUI.pdb
: