Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSLIDIQNLTIKNTC---EKYLIKGIDLKIFSQQINALIGESGAGKSLIAKALLEYLPFDLSCTYDSYQFDGENISRLS----QYYGHTIGYISQNYAESFNDHTKLGKQLTAIYRKHYKSSKEEALSKIDKALSWVNLQSKDILNKYSFQLSGGQLERVYIASVLMLEPKLIIADEPVASLDALNGNQVMDLLQHIVLEHGQTLFIITHNLSHVLKYCQYIYVLKEGQIIERGNINHFKYEHLHPYTERLIKYRTQLKRDYYD
3TUI Chain:C ((23-263))
-HMIKLSNITKVFHQGTRTIQALNNVSLHVPAGQIYGVIGASGAGKSTLIRCVNLLER----PTEGSVLVDGQELTTLSESELTKARRQIGMIFQHFN-LL-SSRTVFGNVALPLELD-NTPKDEVKRRVTELLSLVGLG--DKHDSYPSNLSGGQKQRVAIARALASNPKVLLCDQATSALDPATTRSILELLKDINRRLGLTILLITHEMDVVKRICDCVAVISNGELIEQDTVSEVFSHPKTPLAQKF-------------
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) -186598 for 1957 contacts (-95.3/contact) +
2D Compatibility (PS) -24707 + (NN) -6234 + (LL) 1568
1D Compatibility (HY) -13200 + (ID) 3100
Total energy: -232271.0 ( -118.69 by residue)
QMean score : 0.442
(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
: