Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MTVKVEQLTGGYGK----RPVIKDINFELNKGEIVGLIGLNGAGKSTTIKHMLGLLTPMEGSLSISDININDD-I---EAYRRKLSYIPESPVIYEELTLEEHIEMTAMAYDIDRDEAMNRAMPLLKTFRLENELKVFPSHFSKGMKQKVMIICAFIVNPELYIIDEPFLGLDPLGIQSMLDLMVEKKN-EGRTVLMSTHILATAERYCDRFIILDEGEVVAFGDLEALRQQTGLHNQTLDDIYIHVTQGGDVHA
3TUI Chain:C ((24-256))
-MIKLSNITKVFHQGTRTIQALNNVSLHVPAGQIYGVIGASGAGKSTLIRCVNLLERPTEGSVLVDGQELTTLSESELTKARRQIGMIFQHFNLLSSRTVFGNVALPLELDNTPKDEVKRRVTELLSLVGLGDKHDSYPSNLSGGQKQRVAIARALASNPKVLLCDQATSALDPATTRSILELLKDINRRLGLTILLITHEMDVVKRICDCVAVISNGELIEQDTVSEVFSHPK---------------------
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) -172084 for 1850 contacts (-93.0/contact) +
2D Compatibility (PS) -24133 + (NN) -10124 + (LL) 1412
1D Compatibility (HY) -10400 + (ID) 2850
Total energy: -218179.0 ( -117.93 by residue)
QMean score : 0.515
(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
: