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:B ((27-268))
---LQGKVAVVTGGSRGIGRDIAINLAKEGANIFFNYNGSPEAAEETAKLV-AEHGVEVEAMKANVAIAEDVDAFFKQAIERFGRVDILVNNAGITRDNLLM--RMKEDEWDDVININLKGTFLCTKAVSRTMMKQRAGKIINMASVVGLIGNAGQANYVASKAGVIGLTKTTARELAPRGINVNAVAPGFITTD------------KE-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) -138730 for 1985 contacts (-69.9/contact) +
2D Compatibility (PS) -25720 + (NN) -10345 + (LL) 1144
1D Compatibility (HY) -16400 + (ID) 4950
Total energy: -195001.0 ( -98.24 by residue)
QMean score : 0.558
(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
: