Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSITLHSQKDFEFMRKAGRLAAETLDFIAPYVKVGVTTNKLNDLCHDFIVKAGAIPAPLNYKGYPKSICTSKNAVVCHGIPDDKPLKDGDILNIDVTVILNGWYGDTSRMFWAGKPSIKAKRLCDATYVALMEAIKQVKPGNKLNEIGLAVEKYIRDFGYSIVRSYCGHGIGKVFHAPPNVVHFYDQGESLVLKEGMFFTIEPMINAG--KHETLLSRLDNWTVTTRDLSLSAQFEHTLGVTEDGVEIFTLSPKNWHFPPYN
2NQ7 Chain:A ((72-317))
-QIKLLSSEDIEGMRLVCRLAREVLDVAAGMIKPGVTTEEIDHAVHLACIARNCYPSPLNYYNFPKSCCTSVNEVICHGIPDRRPLQEGDIVNVDITLYRNGYHGDLNETFFVGEVDDGARKLVQTTYECLMQAIDAVKPGVRYRELGNIIQKHAQANGFSVVRSYCGHGIHKLFHTAPNVPHYAKNKAVGVMKSGHVFTIEPMICEGGWQDETW---PDGWTAVTRDGKRSAQFEHTLLVTDTGCEILTRRLDSARPHFMS
General information:
TITO was launched using:
RESULT:
Template:
2NQ7.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -152973 for 2172 contacts (-70.4/contact) +
2D Compatibility (PS) -26951 + (NN) -14406 + (LL) 456
1D Compatibility (HY) -18800 + (ID) 5950
Total energy: -218624.0 ( -100.66 by residue)
QMean score : 0.518
(partial model without unconserved sides chains):
PDB file :
Tito_2NQ7.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2NQ7-query.scw
PDB file :
Tito_Scwrl_2NQ7.pdb
: