Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MIKAIDISHAFEKPLYNGVNLRIKPKESLAILGVSGSGKSTLLSHLATMLKPDSGTVSLLEHQDIYALNSKKLLELRRLKVGIVFQSHYLFKGFSALENLQVASILAK---QEINHSLLE---QLGIAHTLKQGVGELSGGQQQRLSIARVLSKKPQIIIADEPTGNLDTTSANQVISMLQNYITENEGALVLATHDEHLAFTCSQVYRLEKESLIKEK
2IT1 Chain:A ((20-202))
----------------NNINLKIKDGEFMALLGPSGSGKSTLLYTIAGIYKPTSGKI-YFDEKDVTELPPKDR------NVGLVFQNWALYPHMTVYKNIAFPLELRKAPREEIDKKVREVAKMLHIDKLLNRYPWQLSGGQQQRVAIARALVKEPEVLLLDEPLSNLDALLRLEVRAELKRLQKELGITTVYVTHDQAEALAMADRIAVIREGEILQV
General information:
TITO was launched using:
RESULT:
Template:
2IT1.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -86545 for 1303 contacts (-66.4/contact) +
2D Compatibility (PS) -19270 + (NN) -6769 + (LL) 2344
1D Compatibility (HY) -13600 + (ID) 3450
Total energy: -127290.0 ( -97.69 by residue)
QMean score : 0.452
(partial model without unconserved sides chains):
PDB file :
Tito_2IT1.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2IT1-query.scw
PDB file :
Tito_Scwrl_2IT1.pdb
: