Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MDSTLKHLAIIMDGNGRWAKLKNKARAYGHKKGVKTLKDITIWCANHKLECLTLYAFSTENWKRPKSEVDFLMKMLKKYLKDERSTYLDNNIRFRAIGDLEGFSKELRDTILRLENDTRYFKDFTQVLALNYGSKNELSRAFKSLLENPPNHINNIESLENEISHRLDTHDLPEVDLLLRTGGEMRLSNFLLWQSSYAELFFTPILWPDFTPKDLENIISDFYKRVRKFGELKC
2D2R Chain:A ((3-227))
--STLKHLAIIMDGNGRWAKLKNKARAYGHKKGVKTLKDITIWCANHKLECLTLYAF----------EVDFLMKMLKKYLKDERSTYLDNNIRFRAIGDLEGFSKELRDTILQLENDTRHFKDFTQVLALNYGSKNELSRAFKSLLESPPSNISLLESLENEISNRLDTRNLPEVDLLLRTGGEMRLSNFLLWQSSYAELFFTPILWPDFTPKDLENIISDFYKRVR-------
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) -106340 for 1636 contacts (-65.0/contact) +
2D Compatibility (PS) -22829 + (NN) -10351 + (LL) 820
1D Compatibility (HY) -31200 + (ID) 10200
Total energy: -180100.0 ( -110.09 by residue)
QMean score : 0.464
(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
: