Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MTKRLPNLQVALDHSDLQGAIKAAVSVGHEVDVIEAGTVCLLQVGSELVEVLRSLFPDKIIVADTKCADAGGTVAKNNAVRGADWMTCICCATIPTMEAALKAIKEERGDRGEIQIELYGDWTYEQAQQWLDAGISQAIYHQSRDALLAGETWGEKDLNKVKKLIDMGFRVSVTGGLSTDTLQLFEGVDVFTFIAGRGITEADDPAAAARAFKDEIKRIWG
3EXS Chain:C ((5-221))
----LPNLQVALDHSNLKGAITAAVSVGNEVDVIEAGTVCLLQVGSELVEVLRSLFPDKIIVADTKCADAGGTVAKNNAVRGADWMTCICSATIPTMKAARKAIEDINPDKGEIQVELYGDWTYDQAQQWLDAGISQAIYHQSR---------GEKDLNKVKKLIEMGFRVSVTGGLSVDTLKLFEGVDVFTFIAGRGITEAKNPAGAARAFKDEIKRIWG
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) -139224 for 1778 contacts (-78.3/contact) +
2D Compatibility (PS) -22559 + (NN) -10939 + (LL) 1128
1D Compatibility (HY) -26800 + (ID) 9350
Total energy: -207744.0 ( -116.84 by residue)
QMean score : 0.590
(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
: