Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MTKRLPNLQVALDHSDLQGAIKAAVSVGHEVDVIEAGTVCLLQVGSELVEVLRSLFPDKIIVADTKCADAGGTVAKNNAVRGADWMTCICCATIPTMEAALKAIKEERG-DRGEIQIELYGDWTYEQAQQWLD---AGISQAIYHQSRDALLAGETWGEKDLNKVKKLIDMGFRVSVTGGLSTDTLQLFEGVDVFTFIAGRGITEADDPAAAARAFKDEIKRIWG
3EXR Chain:A ((3-221))
--KQLPNLQVALDHSNLKGAITAAVSVGNEVDVIEAGTVCLLQVGSELVEVLRSLFPDKIIVADTKCADAGGTVAKNNAVRGADWMTCICSATIPTMKAARKAIEDI-NPDKGEIQVELYG-DW--TYDQAQQWLDAGISQAIYHQSRDALLAGETWGEKDLNKVKKLIEMGFRVSVTGGLSVDTLKLFEGVDVFTFIAGRGITEAKNPAGAARAFKDEIKRIWG
General information:
TITO was launched using:
RESULT:
Template:
3EXR.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -129425 for 1795 contacts (-72.1/contact) +
2D Compatibility (PS) -23341 + (NN) -10571 + (LL) 480
1D Compatibility (HY) -25200 + (ID) 9350
Total energy: -197407.0 ( -109.98 by residue)
QMean score : 0.621
(partial model without unconserved sides chains):
PDB file :
Tito_3EXR.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3EXR-query.scw
PDB file :
Tito_Scwrl_3EXR.pdb
: