Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
VRSLNSIVAV-CQNMGIGKDGNLPWPPLRNEYKYFQRMTSTSHVEGKQNAVIMGKKTWFSIPEKNRPLKDRINIVLSRELKEA--PKGAHYLSKSLDDALALLDSPELKSKVDMVWIVGGTAVYKAAMEKPINHRLFVTRIL----HEFESDTFFPEIDYKDFKLLTEY-------PGVPADIQEEDGIQYKFEVYQKSVLAQ
1AOE Chain:A ((3-192))
KPNVAIIVAALKPALGIGYKGKMPWR-LRKEIRYFKDVTTRTTKPNTRNAVIMGRKTWESIPQKFRPLPDRLNIILSRSYENEIIDDNI-IHASSIESSLNLVS------DVERVFIIGGAEIYNELINNSLVSHLLITEIEHPSPESIEMDTFL-KFPLESWTKQPKSELQKFVGDTVLEDDIKEGDFTYNYTLWTRK----
General information:
TITO was launched using:
RESULT:
Template:
1AOE.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -95983 for 1238 contacts (-77.5/contact) +
2D Compatibility (PS) -19066 + (NN) -7532 + (LL) 544
1D Compatibility (HY) -16400 + (ID) 2900
Total energy: -141337.0 ( -114.17 by residue)
QMean score : 0.637
(partial model without unconserved sides chains):
PDB file :
Tito_1AOE.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1AOE-query.scw
PDB file :
Tito_Scwrl_1AOE.pdb
: