Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MAETAPLRVQLIAKTDFLAPPDVPWTTDADGGPALVEFAGRACYQSWSKPNPKTATNAGYLRHIIDVGHFSVLEHASVSFYITGISRSCTHELIRHRHFSYSQLSQRYVPEKDSRVVVPPGMEDDADLRHILTEAADAARATYSELLAKLEAKFADQPNAILRRKQARQAARAVLPNATETRIVVTGNYRAWRHFIAMRASEHADVEIRRLAIECLRQLAAVAPAVFADFEVTTLADGTEVATSPLATEA
2GQ2 Chain:A ((2-246))
-AETAPLRVQLIAKTDFLAPPDVPWTTDADGGPALVEFAGRACYQSWSKPNP---TNAGYLRHIMDVGHFSVLEHASVSFYITGISRSCTHELIRHRHFSYSQLSQRYVPEKDSRVVVPPGMEDDADLRHILTEAADAARATYSELLAKLEAKFADQPNAILRRKQARQAARAVMPNATETRIVVTGNYRAWRHFIAMRASEHADVEIRRLAIECLRQLAAVAPAVFADFEVTTLADGTEVATSPL----
General information:
TITO was launched using:
RESULT:
Template:
2GQ2.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -128150 for 1798 contacts (-71.3/contact) +
2D Compatibility (PS) -26843 + (NN) -16720 + (LL) 912
1D Compatibility (HY) -29600 + (ID) 12000
Total energy: -212401.0 ( -118.13 by residue)
QMean score : 0.622
(partial model without unconserved sides chains):
PDB file :
Tito_2GQ2.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2GQ2-query.scw
PDB file :
Tito_Scwrl_2GQ2.pdb
: