Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MRILPISTIKGKLNEFVDAVSSTQDQITITKNGAPAAVLVGADEWESLQETLYWLAQPGIRESIAEADADIASGRTYGEDEIRAEFGVPRRPH
3HS2 Chain:A ((1-56))
MQSINFRTARGNLSEVLNNVEA-GEEVEITRRGREPAVIVSKATFEAYKKAALDAEF------------------------------------
General information:
TITO was launched using:
RESULT:
Template:
3HS2.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -25685 for 297 contacts (-86.5/contact) +
2D Compatibility (PS) -6021 + (NN) -1417 + (LL) 1728
1D Compatibility (HY) -4000 + (ID) 650
Total energy: -36045.0 ( -121.36 by residue)
QMean score : 0.625
(partial model without unconserved sides chains):
PDB file :
Tito_3HS2.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3HS2-query.scw
PDB file :
Tito_Scwrl_3HS2.pdb
: