Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MQQIQRDIAQALQVQPPFQSEADVQAQIARRIAFIQQCLKDSG-LKTLVLGISGGVDSLTAGLLAQRAVEQLREQTGDQAYRFIAVRLPYQVQQDEADAQASLATIRADEEQTVNIGPSVKALAEQLEALEGLEPAKSDFVIGNIKARIRMVAQYAIAGARGGLVIGTDHAAEAVMGFFTKFGDGACDLAPLSGLAKHQVRALARALGAPENLVEKIPTADLEDLRPGHPDEASHGVTYAEIDAFLHGQPLREEAARVIVDTYHKTQHKRELPKAP
1WXE Chain:A ((3-265))
---LQQQIIKALGAKPQINAEEEIR----RSVDFLKSYLQTYPFIKSLVLGISGGQDSTLAGKLCQMAINELRLETGNESLQFIAVRLPYGVQADEQDCQDAIAFIQPDRVLTVNIKGAVLA-SEQALREAGIE--LSDFVRGNEKARERMKAQYSIAGMTSGVVVGTDHAAEAITGFFTKYGDGGTDINPLYRLNKRQGKQLLAALACPEHLYK----------------EVALGVTYDNIDDYLEGKNVPQQVARTIENWYLKTEHKRRPP---
General information:
TITO was launched using:
RESULT:
Template:
1WXE.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -109798 for 1922 contacts (-57.1/contact) +
2D Compatibility (PS) -27291 + (NN) -17269 + (LL) 1552
1D Compatibility (HY) -16800 + (ID) 6100
Total energy: -175706.0 ( -91.42 by residue)
QMean score : 0.590
(partial model without unconserved sides chains):
PDB file :
Tito_1WXE.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1WXE-query.scw
PDB file :
Tito_Scwrl_1WXE.pdb
: