Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MDSTLKHLAIIMDGNGRWAKLKNKARAYGHKKGVKTLKDITIWCANHKLECLTLYAFSTENWKRPKSEVDFLMKMLKKYLKDERSTYLDNNIRFRAIGDLEGFSKELRDTILRLENDTRYFKDFTQVLALNYGSKNELSRAFKSLLENPPNHINNIESLENEISHRLDTHDLPEVDLLLRTGGEMRLSNFLLWQSSYAELFFTPILWPDFTPKDLENIISDFYKRVRKFGELKC
2DTN Chain:B ((15-242))
---TLKHLAIIMDGNGRWAKLKNKARAYGHKKGVKTLKDITIWCANHKLECLTLYA----------------MKMLKKYLKDERSTYLDNNIRFRAIGDLEGFSKELRDTILQLENDTRHFKDFTQVLALNYGSKNELSRAFKSLLESP---------LENEISNRLDTRNLPEVDLLLRTGGEMRLSNFLLWQSSYAELFFTPILWPDFTPKDLENIISDFYKRVRKFGE---
General information:
TITO was launched using:
RESULT:
Template:
2DTN.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -98438 for 1544 contacts (-63.8/contact) +
2D Compatibility (PS) -21569 + (NN) -7937 + (LL) 1472
1D Compatibility (HY) -29200 + (ID) 9850
Total energy: -165522.0 ( -107.20 by residue)
QMean score : 0.496
(partial model without unconserved sides chains):
PDB file :
Tito_2DTN.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2DTN-query.scw
PDB file :
Tito_Scwrl_2DTN.pdb
: