Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKLFDYAPLSLAWREFLQSEFKKPYFLEIEKRYLEALKS-PKTIFPKSSNLFCAFNLTPPYAVKIILLGQDPYHSTYLENEQELPVAMGLSFSVEKNAPIPPSLKNIFKELHANLGVPVPCCGDLSAWAKRGMLLLNAILSVEKNQAASHKYIGWEAFSDQILIRLFETTTPLIVVLLGKVAQKKIALIPKNKHIIITAPHPSPLSRG--FLGSGVFTSVQKAYREVYRKDFDFSL
3TR7 Chain:A ((7-224))
---------TQTWQTVLGEEKQEPYFQE-ILDFVKKERKAGKIIYPPQKDIFNALKLTPYEAIKVVILGQDPYHGPN--------QAHGLAFSVRPGVPAPPSLQNIFKELHADLGVSIPSHGFLEKWAKQGVLLLNAALTVEAGKPQSHANIGWHRFTDKVIESLNDHPEGIVFLLWGSYAQKKSQLITNLRHRILKAPHPSPLSAARGFLGCRHFSKANQLLHEMGRGEIDWAL
General information:
TITO was launched using:
RESULT:
Template:
3TR7.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -124803 for 1735 contacts (-71.9/contact) +
2D Compatibility (PS) -22997 + (NN) -10721 + (LL) 1544
1D Compatibility (HY) -14000 + (ID) 4600
Total energy: -175577.0 ( -101.20 by residue)
QMean score : 0.591
(partial model without unconserved sides chains):
PDB file :
Tito_3TR7.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3TR7-query.scw
PDB file :
Tito_Scwrl_3TR7.pdb
: