Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MDILKAEHLNKQIKKTKIVSDVSLEVKSGEVVGLLGPNGAGKTTTFYMICGLLEPSGGSVYLNDVDLAKYPLHKRSNLGIGYLPQESSIFKELSVEENLALAGESTFKNSKESEEKMESLLDAFNIQAIRERKGMSLSGGERRRVEIARALMKNPKFVLLDEPFAGVDPIAVIDIQRIIESLIG-LNIGVLITDHNVRETLSVCHRAYVIKSGTLLASGNANEIYENALVRKYYLGENFKV
2IT1 Chain:A ((1-225))
MVEIKLENIVKKFGNFTALNNINLKIKDGEFMALLGPSGSGKSTLLYTIAGIYKPTSGKIYFDEKDVTELPP---KDRNVGLVFQNWALYPHMTVYKNIAFPLELRKAPREEIDKKVREVAKMLHIDKLLNRYPWQLSGGQQQRVAIARALVKEPEVLLLDEPLSNLDALLRLEVRAELKRLQKELGITTVYVTHDQAEALAMADRIAVIREGEILQVGTPDEVYYKPKYKFVGGFLGNPP
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) -141440 for 1833 contacts (-77.2/contact) +
2D Compatibility (PS) -23918 + (NN) -4030 + (LL) 208
1D Compatibility (HY) -19600 + (ID) 3350
Total energy: -192130.0 ( -104.82 by residue)
QMean score : 0.493
(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
: