Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MQQSLAVKTFEDLFAELGDRARTRPADSTTVAALDGGVHALGKKLLEEAGEVWLAAEHE-------------SNDALAEEISQLLYWTQVLMISRGLSLDDVYRKL
2A3Q Chain:A ((53-119))
-------------------------------------PRNLLLALVGEVGELAELFQWKSDTEPGPQAWPPKERAALQEELSDVLIYLVALAARCHVDLPQAVI--
General information:
TITO was launched using:
RESULT:
Template:
2A3Q.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -7461 for 285 contacts (-26.2/contact) +
2D Compatibility (PS) -5929 + (NN) -4934 + (LL) 2668
1D Compatibility (HY) -2800 + (ID) 650
Total energy: -19106.0 ( -67.04 by residue)
QMean score : 0.455
(partial model without unconserved sides chains):
PDB file :
Tito_2A3Q.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2A3Q-query.scw
PDB file :
Tito_Scwrl_2A3Q.pdb
: