Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MATLKAQHLAKSYKGRQVVRDVSMSIDSGQIVGLLGPNGAGKTTCFYMIVGLVQADQGVVRIDEQNVTHLPMHGRARAGIGYLPQEASIFRKLSVSDNIMAILETRSDLDRNGRKEALEGLLQEFHIHHIRDNLGMSLSGGERRRVEIARALASAPKFILLDEPFAGVDPISVGDIKQIIHHLKA-KGIGILITDHNVRETLDICETAYIVNDGQLIAEGDAESILANDLVKEVYLGHEFRL
2IT1 Chain:A ((1-225))
MVEIKLENIVKKFGNFTALNNINLKIKDGEFMALLGPSGSGKSTLLYTIAGIYKPTSGKIYFDEKDVTELP---PKDRNVGLVFQNWALYPHMTVYKNIAFPLELRK-APREEIDKKVREVAKMLHIDKLLNRYPWQLSGGQQQRVAIARALVKEPEVLLLDEPLSNLDALLRLEVRAELKRLQKELGITTVYVTHDQAEALAMADRIAVIREGEILQVGTPDEVYYKP-------------
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) -149235 for 1833 contacts (-81.4/contact) +
2D Compatibility (PS) -23647 + (NN) -3401 + (LL) 1384
1D Compatibility (HY) -19600 + (ID) 3000
Total energy: -197499.0 ( -107.75 by residue)
QMean score : 0.555
(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
: