Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MADEIAKAQVARPGGDTIFGKIIRKEIPAKIIFEDDRCLAFHDISPQAPTHFLVIPKKHISQISVAEDDDESLLGHLMIVGKKCAADLGLN-KGYRMVVNEGSDGGQSVYHVHLHVLGGRQMH---WPPG
3N1S Chain:A ((3-117))
--------------EETIFSKIIRREIPSDIVYQDDLVTAFRDISPQAPTHILIIPNILIPTVNDVSAEHEQALGRMITVAAKIAEQEGIAEDGYRLIMNTNRHGGQEVYHIHMHLLGGRPLGPMLAHK-
General information:
TITO was launched using:
RESULT:
Template:
3N1S.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -77762 for 771 contacts (-100.9/contact) +
2D Compatibility (PS) -12136 + (NN) -9878 + (LL) 1008
1D Compatibility (HY) -11200 + (ID) 2550
Total energy: -112518.0 ( -145.94 by residue)
QMean score : 0.492
(partial model without unconserved sides chains):
PDB file :
Tito_3N1S.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3N1S-query.scw
PDB file :
Tito_Scwrl_3N1S.pdb
: