Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MTLLVGLGNPTLRYDHTRHNAGFDILDSLVSELDLSFIFSPKHNAYLCV----YKDFILLKPQTYMNLSGESVLSAKNFY--KTKELLIVHDDLDLPLGVVKFKKGGGNGGHNGLKSIDALC-SNSYYRLRVGISKGI--NITEH-VLSKFHNNEEPLKNAAFEHAKNALKFFIESHDFNATQNRFTLKKPLQIES
3NEA Chain:A ((23-207))
IKMIIGLGNIGKEYQDTRHNVGEWFIAKIAQDNNQSFSSNPKLNCNLAKVSIDYNNVVLVFPTTYMNNSGLAVSKVANFYKIAPAEILVVHDELDIDSGEIRLKKGGGHGGHNGLRSINQHLGTNDYLRLRIGIGHPGHKSKVANYVLSNPSIAQKKDIDSAIDNGICFLDDIINY-KLEPVMQKL----------
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) -90811 for 1411 contacts (-64.4/contact) +
2D Compatibility (PS) -18733 + (NN) -4168 + (LL) 836
1D Compatibility (HY) -10000 + (ID) 3150
Total energy: -126026.0 ( -89.32 by residue)
QMean score : 0.477
(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
: