Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MMIFRLLFLLVFISVNSYAVIKQDLSNNHYIQKINEITSKELLLPLPDDKLLGDSKAPILMIEYASLTCYHCSLFHREVFPEIKKKYIDTGKMLYIFRHFPLDY-----------------------------------------RGLKAAMLSYCYEK--QEDYFNFNKAVFNSIDSWNYSNLSDLTVLQKVAALSNLKQDTFNRCINDKEVMDKIINDKSLAINKLGIMATPIFFIKLNNDRSHTEPNKIRHEGYKAQEYFTNVIDRLYEKAIVK
2IN3 Chain:A ((6-212))
--------------------------------------------------------EKPVLWYIADPMCSWCWGFAPV-IENIRQEYS--AFLTVKIMPG----GTNTPLLPEKRAQILHHWHSVHITTGQPFTFENALPEGFIYDTEPACRGVVSVSLIEPEKVFPFFAAIQRAFYVG-QEDVAQLAILKKLAVDLGIPESRFTPVFQSDEAKQRTLAG-FQRVAQWGISGFPALVVESGT------DRYLITTGYRPIEALRQLLDTWLQQHG--
General information:
TITO was launched using:
RESULT:
Template:
2IN3.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -126076 for 1248 contacts (-101.0/contact) +
2D Compatibility (PS) -16971 + (NN) -5688 + (LL) 5420
1D Compatibility (HY) -7600 + (ID) 1200
Total energy: -152115.0 ( -121.89 by residue)
QMean score : 0.575
(partial model without unconserved sides chains):
PDB file :
Tito_2IN3.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2IN3-query.scw
PDB file :
Tito_Scwrl_2IN3.pdb
: