Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MFDSKVAIVTGAAQGIGQAYAQALAREGASVVVADINADGAAAVAKQIVADGGTAIHVPVDVSDEDSAKAMVDRAVGAFGGIDYLVNNAAIYGGMKLDLLLTVPLDYYKKFMSVNHDGVLVCTRAVYKHM--AKRGGGAIVNQSSTAAWLYSNF--YGLAKVGVNGLTQQLARELGGMKIRINAIAPGPIDTEATRTVTPAELVKNMVQTIPLSRMGTPEDLVGMCLFLLSDSASWITGQIFNVDGGQIIRS
3NUG Chain:A ((7-245))
----KTALVTGAAQGIGKAIAARLAADGATVIVSDINAEGAKAAAASI---GKKARAIAADISDPGSVKALFAEIQALTGGIDILVNNASIVPFVAWD---DVDLDHWRKIIDVNLTGTFIVTRAGTDQMRAAGKAGRVISIASNTFFAGTPNMAAYVAAKGGVIGFTRALATELGKYNITANAVTPGLIESDGVKASPHNEAFGFVEMLQAMKGKGQPEHIADVVSFLASDDARWITGQTLNVDAGMV---
General information:
TITO was launched using:
RESULT:
Template:
3NUG.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -165140 for 2109 contacts (-78.3/contact) +
2D Compatibility (PS) -25342 + (NN) -11433 + (LL) 1300
1D Compatibility (HY) -12000 + (ID) 5000
Total energy: -217615.0 ( -103.18 by residue)
QMean score : 0.531
(partial model without unconserved sides chains):
PDB file :
Tito_3NUG.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3NUG-query.scw
PDB file :
Tito_Scwrl_3NUG.pdb
: