Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MIKLENVFVKKGNKNILDGCNFNFEKGKSYALVGESGAGKSTLLNIIAGFEDVSQGSIYIEDKLLKKKVDFYRYTLGYLFQNFALLENQTISQNLDLALKFKKNKKDNMNLK-KEVLKKVGLDLDIKRIVSSLSGGEQQRVALARLILKDPKIILADEPTGSLDTKNGKIVIDLLLKLLDE-NKTMIVVTHD----LELAKRFDVIVNISELRS
2IT1 Chain:A ((4-207))
-IKLENIVKKFGNFTALNNINLKIKDGEFMALLGPSGSGKSTLLYTIAGIYKPTSGKIYFDEKDVTELPPKDR-NVGLVFQNWALYPHMTVYKNIAFPLELRKAPREEIDKKVREVAKMLHIDKLLNRYPWQLSGGQQQRVAIARALVKEPEVLLLDEPLSNLDALLRLEVRAELKRLQKELGITTVYVTHDQAEALAMADRIAVI--------
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) -96784 for 1531 contacts (-63.2/contact) +
2D Compatibility (PS) -21393 + (NN) -8589 + (LL) 940
1D Compatibility (HY) -15200 + (ID) 3950
Total energy: -144976.0 ( -94.69 by residue)
QMean score : 0.521
(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
: