Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MLLEIKDLVYKASDRIILDHISLKVDKGESIAIIGPSGSGKSTFQKQICNLISPTSGELYFKGKPYNDYDPEELRQRISYLMQQSDLFGETIEDNMIFPSLARNDKFD-------RKRAKQLIKDVGLGHYQLSSEVEN-MSGGERQRIAIARQLMYTPDILLLDESTSALDVNNKEKIENIIFKLVE-QDVAIMWITHSDDQSMRHFQKRITIVDGKISKVEELNQHE
2IXF Chain:A ((34-215))
----------------VLQGLTFTLYPGKVTALVGPNGSGKSTVAALLQNLYQPTGGKVLLDGEPLVQYDHHYLHTQVAAVGQEPLLFGRSFRENIAY-GLTRTPTMEEITAVAMESGAHDFISGFPQGYDTEVGETGNQLSGGQRQAVALARALIRKPRLLILDQATSALDAGNQLRVQRLLYESPEWASRTVLLITH------------------------------
General information:
TITO was launched using:
RESULT:
Template:
2IXF.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -41075 for 1185 contacts (-34.7/contact) +
2D Compatibility (PS) -18791 + (NN) -6865 + (LL) 3736
1D Compatibility (HY) -13200 + (ID) 2800
Total energy: -78995.0 ( -66.66 by residue)
QMean score : 0.496
(partial model without unconserved sides chains):
PDB file :
Tito_2IXF.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2IXF-query.scw
PDB file :
Tito_Scwrl_2IXF.pdb
: