Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MGKLNGKVAVVTGAASGMGQQIAILFAKEGAKVVV-ADLNLEAAQKTVELVEKEHGTGL-AVVANVTKQEDIENMINQAIEAFGTLDILVNNAGIM-DNFVPAGELTDELWDKVFAINTTGVMRATREALHIFEEKGQGVIVNIASAGGLFGSRAGAAYTASKHAVVGFTKNVGFQYANKNIRCNAIAPGAVNTNIGTTIYAPDEFGQERAMIGMGINPRAGDASEIAKVALFLASDDSSFVNGTVITADAGWTAY
4JRO Chain:D ((27-268))
---LQGKVAVVTGGSRGIGRDIAINLAKEGANIFFNYNGSPEAAEETAKLV-AEHGVEVEAMKANVAIAEDVDAFFKQAIERFGRVDILVNNAGITRDNLLM--RMKEDEWDDVININLKGTFLCTKAVSRTMMKQRAGKIINMASVVGLIGNAGQANYVASKAGVIGLTKTTARELAPRGINVNAVAPGFITTDMT------DEKTKE-AMLAQIPLGAYGTTEDIANAVLFLASDASKYITGQTLSVDGG----
General information:
TITO was launched using:
RESULT:
Template:
4JRO.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -136783 for 2034 contacts (-67.2/contact) +
2D Compatibility (PS) -26352 + (NN) -11390 + (LL) 1124
1D Compatibility (HY) -16400 + (ID) 5050
Total energy: -194851.0 ( -95.80 by residue)
QMean score : 0.579
(partial model without unconserved sides chains):
PDB file :
Tito_4JRO.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4JRO-query.scw
PDB file :
Tito_Scwrl_4JRO.pdb
: