Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MRNELEDKILAILEQHQVGVLTSVQG-DYPHARYMTFLH---DGLTLYTPSGKELPKTDEVRRNPHVSVLIGYESPGSAFLEINGLASLEEDESIKERIWENISKEWFR-GEDSPSFVVIKIVPEQIRILNSDDDGPDTLDLIG
2RE7 Chain:A ((5-133))
--QKHIDKIQAVIKDVKFAMISTSNKKGDIHAWPMTTSEVNLDNKEIWFIGDKTSDVVKDIQDDARIGLTYATQDEK-NYVSISGDAELPTDKAKLDELWSPVYSAFFANGKEDANIQLIKVVPHGVECWLS------------
General information:
TITO was launched using:
RESULT:
Template:
2RE7.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -51599 for 849 contacts (-60.8/contact) +
2D Compatibility (PS) -13709 + (NN) -5749 + (LL) 24
1D Compatibility (HY) -6400 + (ID) 1150
Total energy: -78583.0 ( -92.56 by residue)
QMean score : 0.439
(partial model without unconserved sides chains):
PDB file :
Tito_2RE7.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2RE7-query.scw
PDB file :
Tito_Scwrl_2RE7.pdb
: