Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MCKYKAIIFDMDGVLFDTELFYYKRRERFLKQHGITIDHLPMNFFIGGNMKQVWKSVLGDQYDTWDIDKLQQDYSRYKEDNPLPYKDLIFQDCKRVIEKLHHKGYLLGLASSSTRHDIMLALESFNLDTYFKVILSGEEFSESKPNPAIYNRAAELLDIPKQQILIVEDSEKGITAGIAAGIDVW-AIEDK-YFGM--NQSQANVLVSDLSQFFVKLDNY
3KBB Chain:A ((1-215))
---MEAVIFDMDGVLMDTEPLYFEAYRRVAESYGKPYTEDLHRRIMGVPEREGLPILMEALEIKDSLENFKKRVHEEKK-RVFSELLKENPGVREALEFVKSKRIKLALATSTPQREALERLRRLDLEKYFDVMVFGDQVKNGKPDPEIYLLVLERLNVVPEKVVVFEDSKSGVEAAKSAGIERIYGVVHSLNDGKALLEAGAVALV-KPEEILNVLKEV
General information:
TITO was launched using:
RESULT:
Template:
3KBB.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -106236 for 1677 contacts (-63.3/contact) +
2D Compatibility (PS) -22795 + (NN) -10320 + (LL) 224
1D Compatibility (HY) -11200 + (ID) 2450
Total energy: -152777.0 ( -91.10 by residue)
QMean score : 0.456
(partial model without unconserved sides chains):
PDB file :
Tito_3KBB.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3KBB-query.scw
PDB file :
Tito_Scwrl_3KBB.pdb
: