Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKTPIISIIMGSKSDWGTMQKTAEVLDNFGIAYEKKVVSAHRAPD---LMFKHAEEARGRGIKIIIAGAGGAAHLPGMVAAKTTLPVIGVPVKTRALSGLDSLYSIVQMPGGVPVATMAIGEAGATNAALTALRILSIEDQNLADALAHFHEEQG-KIAEESSNELI
3RGG Chain:C ((3-156))
---PLVIILMGSSSDMGHAEKIASELKTFGIEYAIRIGSAHKTAEHVVSMLKEYEALDRPKLYITIAGRSNA--LSGFVDGFVKGATIACPPPSDSFAGAD-IYSSLRMPSGISPALV----LEPKNAALLAARIFSLYDKEIADSVKSYMESNAQKIIEDDSK---
General information:
TITO was launched using:
RESULT:
Template:
3RGG.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -101597 for 1133 contacts (-89.7/contact) +
2D Compatibility (PS) -16800 + (NN) -11227 + (LL) 1248
1D Compatibility (HY) -9600 + (ID) 2750
Total energy: -140726.0 ( -124.21 by residue)
QMean score : 0.508
(partial model without unconserved sides chains):
PDB file :
Tito_3RGG.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3RGG-query.scw
PDB file :
Tito_Scwrl_3RGG.pdb
: