Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MTYVEMKDVSKYYQMGENVVTANDKITFGIKKGEFVVIVGPSGAGKSTVLNILGGMDSASEGKIMVDGQDIAQYNAKQLTKYRRTDVGFVFQFYNLVPNLTAKENVELAAQIAP-----NALDAETVLTQVGLSHRLDNFPAQLSGGEQQRVAIARALAKAPKLLLCDEPTGALDYDTGKSVLKLLQETCRNTGTTVIVITHNTAI-TPIADRIIEINNAKVRSIKENPEPMSIDDLEW
3TUI Chain:C ((23-254))
-HMIKLSNITKVFHQGTRTIQALNNVSLHVPAGQIYGVIGASGAGKSTLIRCVNLLERPTEGSVLVDGQELTTLSESELTK-ARRQIGMIFQHFNLLSSRTVFGNVALPLELDNTPKDEVKRRVTELLSLVGLGDKHDSYPSNLSGGQKQRVAIARALASNPKVLLCDQATSALDPATTRSILELLKDINRRLGLTILLITHEMDVVKRICDCVAVISNGELIEQDTVSEVFSH-----
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) -121918 for 1850 contacts (-65.9/contact) +
2D Compatibility (PS) -25235 + (NN) -15003 + (LL) 584
1D Compatibility (HY) -20400 + (ID) 3900
Total energy: -185872.0 ( -100.47 by residue)
QMean score : 0.505
(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
: