Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MQALLFLMALLLPSRAGAEEIIGGVESEPHSRPYMAYVNTFSKKGYVAICGGFLIAPQFVMTAAHCSGRRMTVTLGAHNVRKRECTQQKIKVEKYILPPNYNVSSKFNDIVLLKLKKQANLTSAVDVVPLPGPSDFAKPGTMCWAAGWGRTGVKKSISHTLREVELKIVGEKACKIFRHYKDSLQICVGSSTKVASVYMGDSGGPLLCAGVAHGIVSSGRGNAKPPAIFTRISPHVPWINRVIKGE
3S0N Chain:A ((1-226))
--------------------IIGGTECKPHSRPYMAYLEIVTSNGPSKFCGGFLIRRNFVLTAAHCAGRSITVTLGAHNITEEEDTWQKLEVIKQFRHPKYNTSTLHHDIMLLKLKEKASLTLAVGTLPFPSQKNFVPPGRMCRVAGWGRTGVLKPGSDTLQEVKLRLMDPQACSHFRDFDHNLQLCVGNPRKTKSAFKGDSGGPLLCAGAAQGIVSYGRSDAKPPAVFTRISHYQPWINQILQAN
General information:
TITO was launched using:
RESULT:
Template:
3S0N.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -162018 for 1918 contacts (-84.5/contact) +
2D Compatibility (PS) -24517 + (NN) -13070 + (LL) 2268
1D Compatibility (HY) -18400 + (ID) 6250
Total energy: -221987.0 ( -115.74 by residue)
QMean score : 0.517
(partial model without unconserved sides chains):
PDB file :
Tito_3S0N.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3S0N-query.scw
PDB file :
Tito_Scwrl_3S0N.pdb
: