Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MNKSKKIENYQLLLLQAQALFSDETNALANLSNASAMLNAMLPNSVFTGFYLFDGKELILGPFQGGVSCVHITLGKGVCGESAQTAKTLIVDDVTKHANYISCDSKAMSEIVVPMFKNGKLLGVLDLDSSLVADYDEIDQEYLEKFVGILVEHTIWNLDMFGVEK
3KSH Chain:A ((11-159))
-----NPTNYTLLKKQAASLIEDEHHMIAILSNMSALLNDNLDQINWVGFYLLEQNELILGPFQGHPACVHIPIGKGVCGTAVSERRTQVVADVHQFKGHIACDANSKSEIVVPIFKDDKIIGVLDIDAPITDRFDDNDKEHLEAIVKIIE-KQLA---------
General information:
TITO was launched using:
RESULT:
Template:
3KSH.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -93197 for 1171 contacts (-79.6/contact) +
2D Compatibility (PS) -16277 + (NN) -7639 + (LL) 972
1D Compatibility (HY) -14000 + (ID) 3450
Total energy: -133591.0 ( -114.08 by residue)
QMean score : 0.505
(partial model without unconserved sides chains):
PDB file :
Tito_3KSH.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3KSH-query.scw
PDB file :
Tito_Scwrl_3KSH.pdb
: