Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MFKVRQATEKDVVQIRDVATKAWFNTYLNIYAATTVNHLLEASYNEHHLKKRLQEQ------LFLVVEEGNDIVGFANF-IYGEELYLSAHYVKPESQHTGYGTALLNEGLSRFEDKFEGVY---LEVDNKNEEAVAYYKEQGFTILRSYQPEMYGEKLDLALMYKAF
3NE7 Chain:A ((5-145))
---IRKLSIEDLETLIEVARESWKWTYAGIYSEEYIESWIREKYSKEKLLNEIVRSQSNLDILFLGAFADSTLIGFIELKIIANKAELLRLYLKPEYTHKKIGKTLLLEAEKIMKKK--GILECRLYVHRQNSVGFSFYYKNGFKV----------------------
General information:
TITO was launched using:
RESULT:
Template:
3NE7.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -60336 for 896 contacts (-67.3/contact) +
2D Compatibility (PS) -14218 + (NN) -4055 + (LL) 2596
1D Compatibility (HY) -12400 + (ID) 1750
Total energy: -90163.0 ( -100.63 by residue)
QMean score : 0.549
(partial model without unconserved sides chains):
PDB file :
Tito_3NE7.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3NE7-query.scw
PDB file :
Tito_Scwrl_3NE7.pdb
: