Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MTFEMLYSKIHRATITDANLNYIGSITIDEDLAKLAKLREGMKVEIVDVNNGERFSTYVILGKKRGK-ICVNGAAARKVAIGDVVIILAYASMNEDEINTHKPSIVLVDEKNEILEKG
1PQE Chain:A ((1-114))
MIRTMLQGKLHRVKVTHADLHYEGACAIDQDFLDAAGILENEAIDIWNVTNGKRFSTYAIAAERGSRIISVNGAAAHCASVGDIVIIASFVTMPDEEARTWRPNVAYFEGDNEMKRT-
General information:
TITO was launched using:
RESULT:
Template:
1PQE.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -79291 for 835 contacts (-95.0/contact) +
2D Compatibility (PS) -12215 + (NN) -1769 + (LL) 176
1D Compatibility (HY) -7600 + (ID) 2200
Total energy: -102899.0 ( -123.23 by residue)
QMean score : 0.658
(partial model without unconserved sides chains):
PDB file :
Tito_1PQE.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1PQE-query.scw
PDB file :
Tito_Scwrl_1PQE.pdb
: