Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MLLLPLPLLLFLLCSRAEAGEIIGGTECKPHSRPYMAYLEIVTSNGPSKFCGGFLIRRNFVLTAAHCAGRSITVTLGAHNITEEEDTWQKLEVIKQFRHPKYNTSTLHHDIMLLKLKEKASLTLAVGTLPFPSQFNFVPPGRMCRVAGWGRTGVLKPGSDTLQEVKLRLMDPQACSHFRDFDHNLQLCVGNPRKTKSAFKGDSGGPLLCAGVAQGIVSYGRSDAKPPAVFTRISHYRPWINQILQAN
4AG2 Chain:B ((1-226))
---------------------IIGGTECKPHSRPYMAYLEIVTSNGPSKFCGGFLIRRNFVLTAAHCAGRSITVTLGAHNITEEEDTWQKLEVIKQFRHPKYNTSTLHHDIMLLKLKEKASLTLAVGTLPFPSQFNFVPPGRMCRVAGWGRTGVLKPGSDTLQEVKLRLMDPQACSHFRDFDHNLQLCVGNPRKTKSAFKGDSGGPLLCAGVAQGIVSYGRSDAKPPAVFTRISHYRPWINQILQAN
General information:
TITO was launched using:
RESULT:
Template:
4AG2.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -170467 for 1935 contacts (-88.1/contact) +
2D Compatibility (PS) -24392 + (NN) -10017 + (LL) 2096
1D Compatibility (HY) -30400 + (ID) 11300
Total energy: -244480.0 ( -126.35 by residue)
QMean score : 0.726
(partial model without unconserved sides chains):
PDB file :
Tito_4AG2.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4AG2-query.scw
PDB file :
Tito_Scwrl_4AG2.pdb
: