Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MDSTLKHLAIIMDGNGRWAKLKNKARAYGHKKGVKTLKDITIWCANHKLECLTLYAFSTENWKRPKSEVDFLMKMLKKYLKDERSTYLDNNIRFRAIGDLEGFSKELRDTILRLENDTRYFKDFTQVLALNYGSKNELSRAFKSLLENPPNHINNIESL-ENEISHRLDTHDLPEVDLLLRTGGEMRLSNFLLWQSSYAELFFTPILWPDFTPKDLENIISDFYKRVRKFGELKC
2D2R Chain:A ((3-227))
--STLKHLAIIMDGNGRWAKLKNKARAYGHKKGVKTLKDITIWCANHKLECLTLYAF----------EVDFLMKMLKKYLKDERSTYLDNNIRFRAIGDLEGFSKELRDTILQLENDTRHFKDFTQVLALNYGSKNELSRAFKSLLESPPSN-ISLLESLENEISNRLDTRNLPEVDLLLRTGGEMRLSNFLLWQSSYAELFFTPILWPDFTPKDLENIISDFYKRVR-------
General information:
TITO was launched using:
RESULT:
Template:
2D2R.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -99297 for 1621 contacts (-61.3/contact) +
2D Compatibility (PS) -22765 + (NN) -10660 + (LL) 1024
1D Compatibility (HY) -30000 + (ID) 10000
Total energy: -171698.0 ( -105.92 by residue)
QMean score : 0.449
(partial model without unconserved sides chains):
PDB file :
Tito_2D2R.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2D2R-query.scw
PDB file :
Tito_Scwrl_2D2R.pdb
: