Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSITLHSQKDFEFMRKAGRLAAETLDFIAPYVKVGVTTNKLNDLCHDFIVKAGAIPAPLNYKGYPKSICTSKNAVVCHGIPDDKPLKDGDILNIDVTVILNGWYGDTSRMFWAGKPSIKAKRLCDATYVALMEAIKQVKPGNKLNEIGLAVEKYIRDFGYSIVRSYCGHGIGKVFHAPPNVVHFYDQGESLVLKEGMFFTIEPMINAG--KHETLLSRLDNWTVTTRDLSLSAQFEHTLGVTEDGVEIFTLSPKNWHFPPYN
2B3L Chain:A ((72-317))
-QIKLLSSEDIEGMRLVCRLAREVLDVAAGMIKPGVTTEEIDHAVHLACIARNCYPSPLNYYNFPKSCCTSVNEVICHGIPDRRPLQEGDIVNVDITLYRNGYHGDLNETFFVGEVDDGARKLVQTTYECLMQAIDAVKPGVRYRELGNIIQKHAQANGFSVVRSYCGHGIHKLFHTAPNVPHYAKNKAVGVMKSGHVFTIEPMICEGGWQDETW---PDGWTAVTRDGKRSAQFEHTLLVTDTGCEILTRRLDSARPHFMS
General information:
TITO was launched using:
RESULT:
Template:
2B3L.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -155826 for 2168 contacts (-71.9/contact) +
2D Compatibility (PS) -26780 + (NN) -13213 + (LL) 456
1D Compatibility (HY) -18800 + (ID) 5950
Total energy: -220113.0 ( -101.53 by residue)
QMean score : 0.500
(partial model without unconserved sides chains):
PDB file :
Tito_2B3L.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2B3L-query.scw
PDB file :
Tito_Scwrl_2B3L.pdb
: