Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSGAQMNKIEVKNVFKIFGPRADAALALIRQGRSKGEVLAQTGCVVGVNDLSLSIGAGEIFVIMGLSGSGKSTLVRHFNRLIDPTSGEILVDGEDILRYDMEALRQFRRRKISMVFQSFGLLPHKSVLDNVAYGLKVRGESRAQCHERALHWIATVGLKGYEKSYPHQLSGGMRQRVGLARALAADTEIILMDEAFSALDPLIRADMQDQLLELQKTLHKTIVFITHDLDEAVRIGNRIAILKDGQLIQVGTPREILHQPADDYVDRFVQRRVANL
3TUI Chain:H ((38-265))
-----------------------------------------TRTIQALNNVSLHVPAGQIYGVIGASGAGKSTLIRCVNLLERPTEGSVLVDGQELTTLSESELTK-ARRQIGMIFQHFNLLSSRTVFGNVALPLELDNTPKDEVKRRVTELLSLVGLGDKHDSYPSNLSGGQKQRVAIARALASNPKVLLCDQATSALDPATTRSILELLKDINRRLGLTILLITHEMDVVKRICDCVAVISNGELIEQDTVSEVFSHPKTPLAQKFIQ------
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) -151130 for 1813 contacts (-83.4/contact) +
2D Compatibility (PS) -25197 + (NN) -12486 + (LL) 4028
1D Compatibility (HY) -20000 + (ID) 4300
Total energy: -209085.0 ( -115.33 by residue)
QMean score : 0.583
(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
: