Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MLQATCARIARRFVWRNRMPRRLFIGLFLLPLPLFAAPPKDELAYAVGARLGMRLQQEMPGLELSELLLGLRQAYRGEALEIPPERIEQLLLQHENATTETPRTT--PAEARFLANEKARFGVRELTGGVLVSELRRGQGNGIGAATQVHVRYRGLLADGQVFDQSESAEWFALDSVIEGWRTALRAMPVGARWRVVIPSAQAYGHEGAGDLIPPDAPLVFEIDLLGFR
3OE2 Chain:A ((87-215))
-------------------------------------------------------------------------------------------------GTDAPTEAALKAERTFMAGEKAKPGVKELADGILMTELTPGTGPKPDANGRVEVRYVGRLPDGKIFDQSTQPQWFRLDSVISGWTSALQNMPTGAKWRLVIPSDQAYGAEGAGDLIDPFTPLVFEIELI---
General information:
TITO was launched using:
RESULT:
Template:
3OE2.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -76734 for 906 contacts (-84.7/contact) +
2D Compatibility (PS) -13753 + (NN) -5683 + (LL) 8720
1D Compatibility (HY) -12400 + (ID) 3600
Total energy: -103450.0 ( -114.18 by residue)
QMean score : 0.571
(partial model without unconserved sides chains):
PDB file :
Tito_3OE2.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3OE2-query.scw
PDB file :
Tito_Scwrl_3OE2.pdb
: