Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSITLHSQKDFEFMRKAGRLAAETLDFIAPYVKVGVTTNKLNDLCHDFIVKAGAIPAPLNYKGYPKSICTSKNAVVCHGIPDDKPLKDGDILNIDVTVILNGWYGDTSRMFWAGKPSIKAKRLCDATYVALMEAIKQVKPGNKLNEIGLAVEKYIRDFGYSIVRSYCGHGIGKVFHAPPNVVHFYDQGESLVLKEGMFFTIEPMINAGKHETLLSRLDNWTVTTRDLSLSAQFEHTLGVTEDGVEIFTLSPKNWHFPPYN
2B3H Chain:A ((74-323))
---KLLSSEDIEGMRLVCRLAREVLDVAAGMIKPGVTTEEIDHAVHLACIARNCYPSPLNYYNFPKSCCTSVNEVICHGIPDRRPLQEGDIVNVDITLYRNGYHGDLNETFFVGEVDDGARKLVQTTYECLMQAIDAVKPGVRYRELGNIIQKHAQANGFSVVRSYCGHGIHKLFHTAPNVPHYAKNKAVGVMKSGHVFTIEPMICEGGWQDET-WPDGWTAVTRDGKRSAQFEHTLLVTDTGCEILTRRLDSARPHFMS
General information:
TITO was launched using:
RESULT:
Template:
2B3H.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -143192 for 2177 contacts (-65.8/contact) +
2D Compatibility (PS) -27455 + (NN) -15066 + (LL) 356
1D Compatibility (HY) -16400 + (ID) 5800
Total energy: -207557.0 ( -95.34 by residue)
QMean score : 0.473
(partial model without unconserved sides chains):
PDB file :
Tito_2B3H.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2B3H-query.scw
PDB file :
Tito_Scwrl_2B3H.pdb
: