Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MNLHALCLLLLLLGSSTKAGEIIGGTECIPHSRPYMAYLEIVTSDNYLSACSGFLIRRNFVLTAAHCAGRSITVLLGAHNKTYKEDTWQKLEVEKQFIHPNYDKRLVLHDIMLLKLKEKAKLTLGVGTLPLSANFNFIPPGRMCRAVGWGRTNVNEPASDTLQEVKMRLQEPQSCKHFTSFQHKSQLCVGNPKKMQNVYKGDSGGPLLCAGIAQGIASYVHPNAKPPAVFTRISHYRPWINKILREN
1PJP Chain:A ((1-226))
---------------------IIGGTECKPHSRPYMAYLEIVTSNGPSKFCGGFLIRRNFVLTAAHCAGRSITVTLGAHNITEEEDTWQKLEVIKQFRHPKYNTSTLHHDIMLLKLKEKASLTLAVGTLPFPSQKNFVPPGRMCRVAGWGRTGVLKPGSDTLQEVKLRLMDPQACSHFRDFDHNLQLCVGNPRKTKSAFKGDSGGPLLCAGAAQGIVSYGRSDAKPPAVFTRISHYQPWINQILQAN
General information:
TITO was launched using:
RESULT:
Template:
1PJP.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -169694 for 1904 contacts (-89.1/contact) +
2D Compatibility (PS) -24484 + (NN) -9963 + (LL) 1744
1D Compatibility (HY) -20800 + (ID) 8250
Total energy: -231447.0 ( -121.56 by residue)
QMean score : 0.485
(partial model without unconserved sides chains):
PDB file :
Tito_1PJP.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1PJP-query.scw
PDB file :
Tito_Scwrl_1PJP.pdb
: