Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MNAVCESIDASLDARDRPLLSVRGLTRLYG----PEKGCQEVDFDLYPGEVLGIVGESGSGKSTLLSLLSGRCPPDAGTVAYRDDGDRWLDLYAASEAERRTLLRTEWGFVEQNPRDGLRMGVSAGANIGERLMAQGVRHYGRLRQAGLDWLEQVEIDPLRIDDLPRTFSGGMQQRLQIARNLVSAPRLVFMDEPTGGLDVSVQARLLDLLRGLVRELDLAVVIVTHDLAVARLLADRLMVMRRSRVVEAGLTDQILDDPQHPYTQLLVSSVLQP
3TUI Chain:C ((23-269))
-----------------HMIKLSNITKVFHQGTRTIQALNNVSLHVPAGQIYGVIGASGAGKSTLIRCVNLLERPTEGSVLV--DGQ---ELTTLSESEL-TKARRQIGMIFQHF--NLLSSRTVFGNVALPLELDNTPK-DEVKRRVTELLSLVGLGD-KHDSYPSNLSGGQKQRVAIARALASNPKVLLCDQATSALDPATTRSILELLKDINRRLGLTILLITHEMDVVKRICDCVAVISNGELIEQDTVSEVFSHPKTPLAQKFIQSTLH-
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) -165208 for 2043 contacts (-80.9/contact) +
2D Compatibility (PS) -26860 + (NN) -15963 + (LL) 1916
1D Compatibility (HY) -18400 + (ID) 3200
Total energy: -227715.0 ( -111.46 by residue)
QMean score : 0.455
(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
: