Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MNILFGISDTQECYNAIKFAVKLAHSLKEVRFTLLHVSMEVFIYSES---GMMDYGQTEALEEEKAKALLKQFEDAFKKENIECESVLKSGDLIDVVLDMAKDYDLLLIGA--SESNLLYRLFISHQNSLVEQSSIPVVIAK------------------------------------------------------------------------------------------------------------------------
3AB8 Chain:A ((1-268))
MRILLATDGSPQARGAEALAEWLAYKLS-APLTVLFVVDTRLARIPELLPVPVLRTELERALALRGEAVLERVRQSALAAGVAVEAVLEEGVPHEAILRRARAADLLVLGRSGEAHGDGFGGLGSTADRVLRASPVPVLLAPGEPVELEGALLGYDASESAVRALHALAPLARALGLGVRVVSVHEDPARAEAWALEAEAYLRDHGVEASALVLGGDAADHLLRLQGPGDLLALGAPVRRLVFGSTAERVIRNAQGPVLTAR
General information:
TITO was launched using:
RESULT:
Template:
3AB8.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -105268 for 1051 contacts (-100.2/contact) +
2D Compatibility (PS) -14846 + (NN) -6565 + (LL) 104
1D Compatibility (HY) -4400 + (ID) 1450
Total energy: -132425.0 ( -126.00 by residue)
QMean score : 0.515
(partial model without unconserved sides chains):
PDB file :
Tito_3AB8.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3AB8-query.scw
PDB file :
Tito_Scwrl_3AB8.pdb
: