Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MEVKDILTKELVVFDLEATTKETAIEEMAEMLDERGILADKATYVQAVLEREAHSTTGIGNNIAIPHGK----SESVTKSAIVFARTKEMIEWESLDDEPVNMIFLLAITDSDKTDGHLKILAEIATKLMDDDIVESLKNTRDKEEVIRILNGGVVEI
1A3A Chain:A ((4-148))
---LFKLGAENIFLGRKAATKEEAIRFAGEQLVKGGYV-EP-EYVQAMLDREKLTPTYLGESIAVPHG-TVEAKDRVLKTGVVFCQYPEGVRF-GEEEDDIARLVIGIAARNN---EHIQVITSLTNALDDESVIERLAHTTSVDEVLELLAGRK---
General information:
TITO was launched using:
RESULT:
Template:
1A3A.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -82856 for 1124 contacts (-73.7/contact) +
2D Compatibility (PS) -15556 + (NN) -7861 + (LL) 1500
1D Compatibility (HY) -10000 + (ID) 2000
Total energy: -116773.0 ( -103.89 by residue)
QMean score : 0.646
(partial model without unconserved sides chains):
PDB file :
Tito_1A3A.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1A3A-query.scw
PDB file :
Tito_Scwrl_1A3A.pdb
: