Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKLIAGLGNPGKKYERTRHNVGFMVVDELSF-RHQTPWKKSKFNGMTSEIIVGGEKMILVKPLTFMNASGECIRPLMDYYNIPIEDVVIVYDDLDLPVGKIRLRQKGSAGGHNGMKSIIQHVKTQEFNRIRVGVSRP-LKGEVINYVLGDFPKAEQPDIIAAIQKSADAIEDFAQTPFIEVMNKYNQK
3NEA Chain:A ((23-206))
IKMIIGLGNIGKEYQDTRHNVGEWFIAKIAQDNNQSFSSNPKLNCNLAKVSIDYNNVVLVFPTTYMNNSGLAVSKVANFYKIAPAEILVVHDELDIDSGEIRLKKGGGHGGHNGLRSINQHLGTNDYLRLRIGIGHPGHKSKVANYVLSNPSIAQKKDIDSAIDNGICFLDDIINYKLEPVMQK----
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) -107506 for 1493 contacts (-72.0/contact) +
2D Compatibility (PS) -18988 + (NN) -1102 + (LL) 196
1D Compatibility (HY) -13200 + (ID) 3300
Total energy: -143900.0 ( -96.38 by residue)
QMean score : 0.558
(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
: