Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKHKVGILGGTFDPPHLAHLHMAEEAKKQLELEKILFLPNKIPPHKHISGMASINERVEMLQLMIEGIDSFEIDTRELMRTGKSYTYDTMRDMIIEQPDTDFYFIIGGDMVEYLPKWYHIDDLVKMVTFVGVNRPLYQPEVPYDVVKIDMPKTTISSTEIR---NDIEHAEAFLPEKVWSYIKEHQLYGKK
3MLA Chain:A ((5-189))
---KIGIIGGTFDPPHYGHLLIANEVYHALNLEEVWFLPNQIPPHKQGRNITSVESRLQMLELATEAEEHFSICLEELSRKGPSYTYDTMLQLTKKYPDVQFHFIIGGDMVEYLPKWYNIEALLDLVTFVGVARPGYKLRTPYPITTVEIPEFAVSSSLLRERYKEKKTCKYLLPEKVQVYIERNGLY---
General information:
TITO was launched using:
RESULT:
Template:
3MLA.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -134569 for 1370 contacts (-98.2/contact) +
2D Compatibility (PS) -19717 + (NN) -8115 + (LL) 272
1D Compatibility (HY) -18400 + (ID) 4500
Total energy: -185029.0 ( -135.06 by residue)
QMean score : 0.485
(partial model without unconserved sides chains):
PDB file :
Tito_3MLA.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3MLA-query.scw
PDB file :
Tito_Scwrl_3MLA.pdb
: