Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MQALLFLMALLLPSRAGAEEIIGGVESEPHSRPYMAYVNTFSKKGYVAICGGFLIAPQFVMTAAHCSGRRMTVTLGAHNVRKRECTQQKIKVEKYILPPNYNVSSKFNDIVLLKLKKQANLTSAVDVVPLPGPSDFAKPGTMCWAAGWGRTGVKKSISHTLREVELKIVGEKACKIFRHYKDSLQICVGSSTKVASVYMGDSGGPLLCAGVAHGIVSSGRGNAKPPAIFTRISPHVPWINRVIKGE
4K5Z Chain:A ((1-226))
--------------------IIGGTECKPHSRPYMAYLEIVTSNGPSKFCGGFLIRRNFVLTAAHCAGRSITVTLGAHNITEEEDTWQKLEVIKQFRHPKYNTSTLHHDIMLLKLKEKASLTLAVGTLPF------VPPGRMCRVAGWGRTGVLKPGSDTLQEVKLRLMDPQACSHFRDFDHNLQLCVGNPRKTKSAFKGDSGGPLLCAGAAQGIVSYGRSDAKPPAVFTRISHYQPWINQILQAN
General information:
TITO was launched using:
RESULT:
Template:
4K5Z.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -164865 for 1843 contacts (-89.5/contact) +
2D Compatibility (PS) -23855 + (NN) -6938 + (LL) 1844
1D Compatibility (HY) -18000 + (ID) 6150
Total energy: -217964.0 ( -118.27 by residue)
QMean score : 0.511
(partial model without unconserved sides chains):
PDB file :
Tito_4K5Z.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4K5Z-query.scw
PDB file :
Tito_Scwrl_4K5Z.pdb
: