Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MDFHIRKATNSDAEAIQHVAITSWHHTYQDLIPGDVQDDFLERFYNVETLHNRISATPFAVVEQADKVI----GFAN-----FIELE--KGKSELAAFYLLPEVTQRGLGTELLEVGMTLFHVP--LPMFVNVEKGNETAIHFYKAKGFVQVEEFTEDFYGYPLETIRFNLNHHAFEEE
3NE7 Chain:A ((5-143))
----IRKLSIEDLETLIEVARESWKWTYAGIYSEEYIESWIREKYSKEKLLNEI------VRSQSNLDILFLGAFADSTLIGFIELKIIANKAELLRLYLKPEYTHKKIGKTLLLEAEKIMKKKGILECRLYVHRQNSVGFSFYYKNGF------------------------------
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) -50805 for 802 contacts (-63.3/contact) +
2D Compatibility (PS) -13449 + (NN) -3842 + (LL) 3000
1D Compatibility (HY) -10800 + (ID) 2150
Total energy: -78046.0 ( -97.31 by residue)
QMean score : 0.332
(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
: