Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKKVLIINGAKAFGHSGGKLNETLTHHAKKILESLGLEVDTTIVDKGYEKSQEVEKFFSADATIWQMPGWWMGEPWIVKKYIDEVFTSGHGKLYASDGRSSQNPTKNYGKGGLMQGKKYMLSLTWNAPIEAFNDPSEFFEGVGVDVVYLHLHKAFQFLGLSALPTFICNDVMKNPQVEQYLNSLTVHLRQAFGK
2B3D Chain:A ((15-204))
---ILIINGAKKFAHSNGQLNDTLTEVADGTLRDLGHDVRIVRADSDYDVKAEVQNFLWADVVIWQMPGWWMGAPWTVKKYIDDVFTEGHGTLYASDGRTRKDPSKKYGSGGLVQGKKYMLSLTWNAPMEAFTEKDQFFHGVGVDGVYLPFHKANQFLGMEPLPTFIANDVIKMPDVPRYTEEYRKHLVEIFG-
General information:
TITO was launched using:
RESULT:
Template:
2B3D.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -104324 for 1474 contacts (-70.8/contact) +
2D Compatibility (PS) -20960 + (NN) -11808 + (LL) 400
1D Compatibility (HY) -19600 + (ID) 5800
Total energy: -162092.0 ( -109.97 by residue)
QMean score : 0.641
(partial model without unconserved sides chains):
PDB file :
Tito_2B3D.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2B3D-query.scw
PDB file :
Tito_Scwrl_2B3D.pdb
: