Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MTKRLPNLQVALDHSDLQGAIKAAVSVGHEVDVIEAGTVCLLQVGSELVEVLRSLFPDKIIVADTKCADAGGTVAKNNAVRGADWMTCICCATIPTMEAALKAIKEERGDRGEIQIELYGDWTYEQAQQWLDAGISQAIYHQSRDALLAGETWGEKDLNKVKKLIDMGFRVSVTGGLSTDTLQLFEGVDVFTFIAGRGITEADDPAAAARAFKDEIKRIWG
3EXS Chain:D ((4-221))
---QLPNLQVALDHSNLKGAITAAVSVGNEVDVIEAGTVCLLQVGSELVEVLRSLFPDKIIVADTKCADAGGTVAKNNAVRGADWMTCICSATIPTMKAARKAIEDINPDKGEIQVELYGDWTYDQAQQWLDAGISQAIYHQSRDALLAGETWGEKDLNKVKKLIEMGFRVSVTGGLSVDTLKLFEGVDVFTFIAGRGITEAKNPAGAARAFKDEIKRIWG
General information:
TITO was launched using:
RESULT:
Template:
3EXS.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -146848 for 1897 contacts (-77.4/contact) +
2D Compatibility (PS) -23496 + (NN) -9570 + (LL) 324
1D Compatibility (HY) -28000 + (ID) 9800
Total energy: -217390.0 ( -114.60 by residue)
QMean score : 0.634
(partial model without unconserved sides chains):
PDB file :
Tito_3EXS.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3EXS-query.scw
PDB file :
Tito_Scwrl_3EXS.pdb
: