Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MTYVEMKDVSKYYQMGENVVTANDKITFGIKKGEFVVIVGPSGAGKSTVLNILGGMDSASEGKIMVDGQDIAQYNAKQLTKYRRTDVGFVFQFYNLVPNLTAKENVELAAQIAPNALD-----AETVLTQVGLSHRLDNFPAQLSGGEQQRVAIARALAKAPKLLLCDEPTGALDYDTGKSVLKLLQETCRNTGTTVIVITHNT-AITPIADRIIEINNAKVRSIKENPEPMSIDDLEW
3TUI Chain:C ((25-242))
---IKLSNITKVFHQGTRTIQALNNVSLHVPAGQIYGVIGASGAGKSTLIRCVNLLERPTEGSVLVDGQELTTLSESELTKARR-QIGMIFQHFNLLSSRTVFGNVALPLELDNTPKDEVKRRVTELLSLVGLGDKHDSYPSNLSGGQKQRVAIARALASNPKVLLCDQATSALDPATTRSILELLKDINRRLGLTILLITHEMDVVKRICDCVAVISNGEL-----------------
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) -132888 for 1706 contacts (-77.9/contact) +
2D Compatibility (PS) -23656 + (NN) -12513 + (LL) 1260
1D Compatibility (HY) -20000 + (ID) 3900
Total energy: -191697.0 ( -112.37 by residue)
QMean score : 0.535
(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
: