Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MNDKSVLSCRNLSKSYDEG-PQSVQVLSGVELNLLPGERVAIVGSSGSGKSTLLNMLGGLDTPSAGSVWLAGEELSALNETARGLLRNRALGFVYQFHHLLPEFTALENVCM-PLLIGRTPIAEARQRAAELLERVGLGHRLSHK-PAELSGGERQRVAIARALVNRPQLVLLDEPTGNLDQHTAQGIQELMLELSRSLQTSFLVVTHDLQ-LAGHMDRILRLEEGRLIAA
4MKI Chain:A ((7-226))
------IKVENVSFIYNEGTPYATVALKDINFSIDDEEFVGIIGHTGSGKSTLIQQLNGLLKPSKGKIYINGIDITDKKVSLKDIRKQVGLVFQYPEYQLFEE-TVFKDIAFGPSNLGLSE-EEVKERVYEAMEIVGISKELADKSPFELSGGQKRRVAIAGILAMRPKILILDEPTAGLDPKGKQEILNKIKEIHDKYKMITILVSHNMEDIARIADKIIVMNRGKI---
General information:
TITO was launched using:
RESULT:
Template:
4MKI.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -93540 for 1691 contacts (-55.3/contact) +
2D Compatibility (PS) -24074 + (NN) -14083 + (LL) 1108
1D Compatibility (HY) -15200 + (ID) 3550
Total energy: -149339.0 ( -88.31 by residue)
QMean score : 0.461
(partial model without unconserved sides chains):
PDB file :
Tito_4MKI.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4MKI-query.scw
PDB file :
Tito_Scwrl_4MKI.pdb
: