Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MDSTLKHLAIIMDGNGRWAKLKNKARAYGHKKGVKTLKDITIWCANHKLECLTLYAFSTENWKRPKSEVDFLMKMLKKYLKDERSTYLDNNIRFRAIGDLEGFSKELRDTILRLENDTRYFKDFTQVLALNYGSKNELSRAFKSLLENPPNHINNIESLENEISHRLDTHDLP-EVDLLLRTGGEMRLSNFLLWQSSYAELFFTPILWPDFTPKDLENIISDFYKRVRKFGELKC
3UGS Chain:B ((7-224))
----LKHLAVVMDGNR--------------SQGVKTMQKLMEVCMEENISNLSLFAFSTENWKRPKDEIDFIFELLDRCLDEALEKFEKNNVRLRAIGDLSRLEDKVREKITLVEEKTKHCDALCVNLAISYGARDEIIRAAKRVIEKK------LELNEENLTQNL---DLPLDVDLMLRVGNAKRLSNFLLWQCSYAEIYFSETLFPSLTKREFKRIIKEFRNRERTFGK---
General information:
TITO was launched using:
RESULT:
Template:
3UGS.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -105355 for 1496 contacts (-70.4/contact) +
2D Compatibility (PS) -21852 + (NN) -9183 + (LL) 1428
1D Compatibility (HY) -21600 + (ID) 4500
Total energy: -161062.0 ( -107.66 by residue)
QMean score : 0.488
(partial model without unconserved sides chains):
PDB file :
Tito_3UGS.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3UGS-query.scw
PDB file :
Tito_Scwrl_3UGS.pdb
: