Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MVKMIVGLGNPGSKYNDTKHNIGFMAVDRIVKDLDVNFTEDKNFKAEIGSDFINGEKIYFIKPTTFMNNSGIAVKALLTYYNISIKDMIIIYDDLDMEVGKIRFRQKGSAGGHNGIKSIIAHLGTQEFDRIKVGIGRPNGRMTVINHVLGKFDKNDEIMILNTLDKVDNAVNYYLQTNDFQKTMQKYNGLK
3NEA Chain:A ((22-207))
KIKMIIGLGNIGKEYQDTRHNVGEWFIAKIAQDNNQSFSSNPKLNCNLAKVSIDYNNVVLVFPTTYMNNSGLAVSKVANFYKIAPAEILVVHDELDIDSGEIRLKKGGGHGGHNGLRSINQHLGTNDYLRLRIGIGHPGHKSKVANYVLSNPSIAQKKDIDSAIDNGICFLDDIINY-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) -114352 for 1532 contacts (-74.6/contact) +
2D Compatibility (PS) -19270 + (NN) -3976 + (LL) -92
1D Compatibility (HY) -13200 + (ID) 3100
Total energy: -153990.0 ( -100.52 by residue)
QMean score : 0.497
(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
: