Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MRVYENKEELKKEISKTFEKYIMEFNNIPENLKDKRIDEVDRTPAENLSYQVGWTNLVLKWEEDERKGLQVKTPSDKFKWNQLGELYQWFTDTYAHLSLQELKAKLNENINSIYAMIDLLSEEELFEAHMRKWADEATKTATWEVYKFIHVNTVAPFGTFRTKIRKWKKIVL
4N6C Chain:A ((12-183))
LRTYENKEELKAEIEKTFEKYILEFDNIPENLKDKRADEVDRTPAENLAYQVGWTNLVLKWEEDERKGLQVKTPSDKFKWNQLGELYQWFTDTYAHLSLQELKAKLNENINSISAMIDSLSEEELFEPHMRKWADEATKTATWEVYKFIHVNTVAPFGTFRTKIRKWKKIVL
General information:
TITO was launched using:
RESULT:
Template:
4N6C.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -25249 for 1281 contacts (-19.7/contact) +
2D Compatibility (PS) -17694 + (NN) -4491 + (LL) 0
1D Compatibility (HY) -21200 + (ID) 8050
Total energy: -76684.0 ( -59.86 by residue)
QMean score : 0.522
(partial model without unconserved sides chains):
PDB file :
Tito_4N6C.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4N6C-query.scw
PDB file :
Tito_Scwrl_4N6C.pdb
: