Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MQALLFLMALLLPSRAGAEEIIGGVESEPHSRPYMAYVNTFSKKGYVAICGGFLIAPQFVMTAAHCSGRRMTVTLGAHNVRKRECTQQKIKVEKYILPPNYNVSSKFNDIVLLKLKKQANLTSAVDVVPLPGPSDFAKPGTMCWAAGWGRTGVKKSISHTLREVELKIVGEKACKIFRHYKDSLQICVGSSTKVASVYMGDSGGPLLCAGVAHGIVSSGRGNAKPPAIFTRISPHVPWINRVIKGE
1PJP Chain:A ((1-226))
--------------------IIGGTECKPHSRPYMAYLEIVTSNGPSKFCGGFLIRRNFVLTAAHCAGRSITVTLGAHNITEEEDTWQKLEVIKQFRHPKYNTSTLHHDIMLLKLKEKASLTLAVGTLPFPSQKNFVPPGRMCRVAGWGRTGVLKPGSDTLQEVKLRLMDPQACSHFRDFDHNLQLCVGNPRKTKSAFKGDSGGPLLCAGAAQGIVSYGRSDAKPPAVFTRISHYQPWINQILQAN
General information:
TITO was launched using:
RESULT:
Template:
1PJP.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -169469 for 1904 contacts (-89.0/contact) +
2D Compatibility (PS) -24875 + (NN) -13231 + (LL) 2268
1D Compatibility (HY) -18400 + (ID) 6250
Total energy: -229957.0 ( -120.78 by residue)
QMean score : 0.562
(partial model without unconserved sides chains):
PDB file :
Tito_1PJP.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1PJP-query.scw
PDB file :
Tito_Scwrl_1PJP.pdb
: