Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MNLHALCLLLLLLGSSTKAGEIIGGTECIPHSRPYMAYLEIVTSDNYLSACSGFLIRRNFVLTAAHCAGRSITVLLGAHNKTYKEDTWQKLEVEKQFIHPNYDKRLVLHDIMLLKLKEKAKLTLGVGTLPLSANFNFIPPGRMCRAVGWGRTNVNEPASDTLQEVKMRLQEPQSCKHFTSFQHKSQLCVGNPKKMQNVYKGDSGGPLLCAGIAQGIASYVHPNAKPPAVFTRISHYRPWINKILREN
4AG2 Chain:A ((1-226))
---------------------IIGGTECKPHSRPYMAYLEIVTSNGPSKFCGGFLIRRNFVLTAAHCAGRSITVTLGAHNITEEEDTWQKLEVIKQFRHPKYNTSTLHHDIMLLKLKEKASLTLAVGTLPFP---NFVPPGRMCRVAGWGRTGVLKPGSDTLQEVKLRLMDPQACSHFRDFDHNLQLCVGNPRKTKSAFKGDSGGPLLCAGVAQGIVSYGRSDAKPPAVFTRISHYRPWINQILQAN
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) -168378 for 1903 contacts (-88.5/contact) +
2D Compatibility (PS) -23888 + (NN) -6905 + (LL) 1940
1D Compatibility (HY) -22000 + (ID) 8300
Total energy: -227531.0 ( -119.56 by residue)
QMean score : 0.453
(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
: