Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MTKRLPNLQVALDHSDLQGAIKAAVSVGHEVDVIEAGTVCLLQVGSELVEVLRSLFPDKIIVADTKCADAGGTVAKNNAVRGADWMTCICCATIPTMEAALKAIKEERGDRGEIQIELYGDWTYEQAQQWLDAGISQAIYHQSRDALLAGETWGEKDLNKVKKLIDMGFRVSVTGGLSTDTLQLFEGVDVFTFIAGRGITEADDPAAAARAFKDEIKRIWG
3EXT Chain:A ((4-221))
---QLPNLQVALDHSNLKGAITAAVSVGNEVDVIEAGTVCLLQVGSELVEVLRSLFPDKIIVADTKCADAGGTVAKNNAVRGADWMTCICSATIPTMKAARKAIEDINPDKGEIQVELYGDWTYDQAQQWLDAGISQAIYHQSR-------TWGEKDLNKVKKLIEMGFRVSVTGGLSVDTLKLFEGVDVFTFIAGRGITEAKNPAGAARAFKDEIKRIWG
General information:
TITO was launched using:
RESULT:
Template:
3EXT.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -147164 for 1804 contacts (-81.6/contact) +
2D Compatibility (PS) -22827 + (NN) -10724 + (LL) 820
1D Compatibility (HY) -27200 + (ID) 9450
Total energy: -216545.0 ( -120.04 by residue)
QMean score : 0.616
(partial model without unconserved sides chains):
PDB file :
Tito_3EXT.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3EXT-query.scw
PDB file :
Tito_Scwrl_3EXT.pdb
: