Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MEIVESKLAGVKLVKPKVFGDHRGFFMESYNEKAFHEA-GIDMKFIQDNHSLSVEAGVLRGMHYQTNPKAQTKLIRVATGAIYDVVVDMRKGSPTYGEWEGYILSEANKHQLLVPQGFAHGFCTITENVNVLYKVDQLYSPENDAGIAYDDPDLNITWP-TDKLILSDKDTKHPRLKDAENNFVWENK
2IXK Chain:B ((4-181))
MKATRLAIPDVILFEPRVFGDDRGFFFESYNQRAFEEACGHPVSFVQDNHSRSAR-GVLRGLHYQIR-QAQGKLVRATLGEVFDVAVDLRRGSPTFGQWVGERLSAENKRQMWIPAGFAHGFVVLSEYAEFLYKTTDFWAPEHERCIVWNDPELKIDWPLQDAPLLSEKDRQGKAFADAD--------
General information:
TITO was launched using:
RESULT:
Template:
2IXK.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -69989 for 1359 contacts (-51.5/contact) +
2D Compatibility (PS) -19131 + (NN) -7167 + (LL) 412
1D Compatibility (HY) -14800 + (ID) 4300
Total energy: -114975.0 ( -84.60 by residue)
QMean score : 0.577
(partial model without unconserved sides chains):
PDB file :
Tito_2IXK.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2IXK-query.scw
PDB file :
Tito_Scwrl_2IXK.pdb
: