Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MQALLFLMALLLPSRAGAEEIIGGVESEPHSRPYMAYVNTFSKKGYVAICGGFLIAPQFVMTAAHCSGRRMTVTLGAHNVRKRECTQQKIKVEKYILPPNYNVSSKFNDIVLLKLKKQANLTSAVDVVPLPGPSDFAKPGTMCWAAGWGRTGVKKSISHTLREVELKIVGEKACKIFRHYKDSLQICVGSSTKVASVYMGDSGGPLLCAGVAHGIVSSGRGNAKPPAIFTRISPHVPWINRVIKGE
4K2Y Chain:A ((1-226))
--------------------IIGGTECKPHSRPYMAYLEIVTSNGPSKFCGGFLIRRNFVLTAAHCAGRSITVTLGAHNITEEEDTWQKLEVIKQFRHPKYNTSTLHHDIMLLKLKEKASLTLAVGTLP---------PGRMCRVAGWGRTGVLKPGSDTLQEVKLRLMDPQACSHFRDFDHNLQLCVGNPRKTKSAFKGDSGGPLLCAGAAQGIVSYGRSDAKPPAVFTRISHYQPWINQILQAN
General information:
TITO was launched using:
RESULT:
Template:
4K2Y.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -152723 for 1824 contacts (-83.7/contact) +
2D Compatibility (PS) -23675 + (NN) -9503 + (LL) 2228
1D Compatibility (HY) -17600 + (ID) 6150
Total energy: -207423.0 ( -113.72 by residue)
QMean score : 0.484
(partial model without unconserved sides chains):
PDB file :
Tito_4K2Y.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4K2Y-query.scw
PDB file :
Tito_Scwrl_4K2Y.pdb
: