Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MNDRFRDKVALVSGAAQGIGLGVARRLLEEGARVVAVDRSELVHELAGDA---CLCLTADLERYAECQRVLERTLERFGRLDILVNNVGGTLWAKPYQHYAEDEIEAELRRSLLPTLWCCRAALPAMLGQGSGAIVNVSSVA-TRG-VNRVPYGAAKGGVNALTACLAFETADQGIRVNAVAPGGTD-APPRRIPRNAAAQSEEERRWYRQIVEQTLDSSLMKRYGSIDEQVAAILFLASDEASYITGVTLPVAGGDLG
4NBU Chain:C ((10-247))
---RLQDKVAIITGAANGIGLEAARVFMKEGAKVVIADFNEAAGKEAVEANPGVVFIRVDVSDRESVHRLVENVAERFGKIDILINNAGITRDSM-LSKMTVDQFQQVINVNLTGVFHCTQAVLPYMAEQGKGKIINTSSVTGTYGNVGQTNYAAAKAGVIGMTKTWAKELARKGINVNAVAPGFTETAMVAEVP--------------EKVIEKMKAQVPMGRLGKPEDIANAYLFLASHESDYVNGHVLHVDGG---
General information:
TITO was launched using:
RESULT:
Template:
4NBU.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -141646 for 2007 contacts (-70.6/contact) +
2D Compatibility (PS) -25452 + (NN) -10140 + (LL) 1144
1D Compatibility (HY) -13200 + (ID) 4700
Total energy: -193994.0 ( -96.66 by residue)
QMean score : 0.593
(partial model without unconserved sides chains):
PDB file :
Tito_4NBU.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4NBU-query.scw
PDB file :
Tito_Scwrl_4NBU.pdb
: