Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MHLIVGLGNPGSQYELTYHNIGFIIVDAICKHWNFQSFSK-KADCLITSSVINDNKIMLMKPYSFMNNSGIPVARIRNFYKFSLDNVIVIHDDADLEPGRIKIKKGGGSAGHNGLKSIDSSIGN-DYWRLRFGIGRSDSQRSLADYVLSKFSNLD--DVIPLVERIAQNIHLMLQGNNIAFTNSIV
3NEA Chain:A ((23-207))
IKMIIGLGNIGKEYQDTRHNVGEWFIAKIAQDNNQSFSSNPKLNCNLAKVSIDYNNVVLVFPTTYMNNSGLAVSKVANFYKIAPAEILVVHDELDIDSGEIRLKKGGGHGGHNGLRSINQHLGTNDYLRLRIGIGHPGHKSKVANYVLSNPSIAQKKDIDSAIDNGICFLDDIINYKLEPVMQKL-
General information:
TITO was launched using:
RESULT:
Template:
3NEA.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -128351 for 1477 contacts (-86.9/contact) +
2D Compatibility (PS) -19297 + (NN) -2766 + (LL) 192
1D Compatibility (HY) -13600 + (ID) 3200
Total energy: -167022.0 ( -113.08 by residue)
QMean score : 0.527
(partial model without unconserved sides chains):
PDB file :
Tito_3NEA.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3NEA-query.scw
PDB file :
Tito_Scwrl_3NEA.pdb
: