Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSDHKVPFNRPYMTGRELAYIAEAHSCGHLAGDGPFTRRSHAWLEQQTGCRKALLTPSCTAALEMMALLLDIEEGDEVILPSYTFVSTANAFVLRGGVPVFVDIRPDTLNIDETRIVDAITPRTKAIVPVHYAGVACEMDAIMKIATHHNLAVVEDAAQGAMASYRGRALGSIGDLGALSFHETKNVISGEGGALLVNS
4LC3 Chain:B ((17-209))
-----LPFTRPEIDEETIQGVVEVLRSGWIT-TGPQCQKFEAALSEYCGGRPVRVFNSGTCTLEIGLRIAGVGPGDEVITTPASWVSTSNVIIETGATPVFADIDPVTRNIDLDKLEQAITPRTKAIIPVFLSGLPVDMDRLYAIARAHKLRVIEDAAQAFGSTWHGKRIGAIGDLVSFSFHANKNLTTIEGGALVLNN
General information:
TITO was launched using:
RESULT:
Template:
4LC3.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -119976 for 1533 contacts (-78.3/contact) +
2D Compatibility (PS) -20862 + (NN) -7235 + (LL) 40
1D Compatibility (HY) -10800 + (ID) 3850
Total energy: -162683.0 ( -106.12 by residue)
QMean score : 0.362
(partial model without unconserved sides chains):
PDB file :
Tito_4LC3.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4LC3-query.scw
PDB file :
Tito_Scwrl_4LC3.pdb
: