Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MNLHALCLLLLLLGSSTKAGEIIGGTECIPHSRPYMAYLEIVTSDNYLSACSGFLIRRNFVLTAAHCAGRSITVLLGAHNKTYKEDTWQKLEVEKQFIHPNYDKRLVLHDIMLLKLKEKAKLTLGVGTLPLSANFNFIPPGRMCRAVGWGRTNVNEPASDTLQEVKMRLQEPQSCKHFTSFQHKSQLCVGNPKKMQNVYKGDSGGPLLCAGIAQGIASYVHPNAKPPAVFTRISHYRPWINKILREN
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) -171497 for 1935 contacts (-88.6/contact) +
2D Compatibility (PS) -24308 + (NN) -10249 + (LL) 1744
1D Compatibility (HY) -22400 + (ID) 8350
Total energy: -235060.0 ( -121.48 by residue)
QMean score : 0.463
(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
: