Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MQQIQRDIAQALQVQPPFQSEADVQAQIARRIAFIQQCLKDSG-LKTLVLGISGGVDSLTAGLLAQRAVEQLREQTGDQAYRFIAVRLPYQVQQDEADAQASLATIRADEEQTVNIGPSVKALAEQLEALEGLEPAKSDFVIGNIKARIRMVAQYAIAGARGGLVIGTDHAAEAVMGFFTKFGDGACDLAPLSGLAKHQVRALARALGAPENLVEKIPTADLEDLRPGHPDEASHGVTYAEIDAFLHGQPLREEAARVIVDTYHKTQHKRELPKAP
1WXH Chain:A ((3-265))
---LQQQIIKALGAKPQINAEEEIR----RSVDFLKSYLQTYPFIKSLVLGISGGQDSTLAGKLCQMAINELRLETGNESLQFIAVRLPYGV---EQDCQDAIAFIQPDRVLTVNIKGAVLA-SEQALREAGIE--LSDFVRGNEKARERMKAQYSIAGMTSGVVVGTDHAAEAITGFFTKYGDGGTDINPLYRLNKRQGKQLLAALACPEHLYK----------------EVALGVTYDNIDDYLEGKNVPQQVARTIENWYLKTEHKRRPP---
General information:
TITO was launched using:
RESULT:
Template:
1WXH.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -111523 for 1904 contacts (-58.6/contact) +
2D Compatibility (PS) -27028 + (NN) -17343 + (LL) 1716
1D Compatibility (HY) -16800 + (ID) 6000
Total energy: -176978.0 ( -92.95 by residue)
QMean score : 0.610
(partial model without unconserved sides chains):
PDB file :
Tito_1WXH.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1WXH-query.scw
PDB file :
Tito_Scwrl_1WXH.pdb
: