Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSFILEVGSLADWVSGLATVGALFWAIKLNSNENRKRLTILFRHSFVSKKNGIIISDGKPKVFIITPVNNSKFSLEINFRQILLVPSLMDRLLFRAEPKKLSNIEALLKQLENKANWQIIKPNLSGEPIMFDYEFIVKQIKKYADGKRFNFAIEIQFIDSTSKIFKHKEKLELRKIKGL
2GJ3 Chain:A ((2-120))
------------------------------------LLPEIFRQTVEHAPIAISITDLKANILYA----NRAFRTITGYGSEEVLGK--NESILSNGTTPRLVYQALWGRLAQKKPWSGVLVNRRKDKTLYLAELTVAPVLN-EAGETIYYLGMHRDTSELH-----------------
General information:
TITO was launched using:
RESULT:
Template:
2GJ3.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -19733 for 814 contacts (-24.2/contact) +
2D Compatibility (PS) -12856 + (NN) -4377 + (LL) 4900
1D Compatibility (HY) -3600 + (ID) 900
Total energy: -36566.0 ( -44.92 by residue)
QMean score : 0.252
(partial model without unconserved sides chains):
PDB file :
Tito_2GJ3.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2GJ3-query.scw
PDB file :
Tito_Scwrl_2GJ3.pdb
: