Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MLNLESLP----KHLAIIMDGNSRWANSQGRVKIDGYRKGSEVAYDIAKHCIALAIPYLTLYAFSMENWLRPKEETDCLFDLFYSILTDRDKVNFFHNYNIKLNFVGNLSLLPGKILNQIKESEEMTRKNDGLLLTVAVSYGAKQEIIHAVRNITRK------NIDCVSEDEFEKFLYTKDLPKLDLLIRTGGEKRLSNFLLWQAAYAELYFCDTLWPDFSCQDLSKALEDYTKREKRYGR
3SGT Chain:B ((13-240))
------LPAHGCRHVAIIMDGNGRWAKKQGKIRAFGHKAGAKSVRRAVSFAANNGIEALTLYAFSSEN---PAQEVSALMELFVWALDS--EVKSLHRHNVRLRIIGDTSRFNSRLQERIRKSEALTAGNTGLTLNIAANYGGRWDIVQGVRQLAEKVQQGNLQPDQIDEEMLNQHVCMHELAPVDLVIRTGGEHRISNFLLWQIAYAELYFTDVLWPDFDEQDFEGALNAFANRE-----
General information:
TITO was launched using:
RESULT:
Template:
3SGT.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -140121 for 1620 contacts (-86.5/contact) +
2D Compatibility (PS) -22902 + (NN) -3853 + (LL) 1196
1D Compatibility (HY) -14400 + (ID) 4600
Total energy: -184680.0 ( -114.00 by residue)
QMean score : 0.536
(partial model without unconserved sides chains):
PDB file :
Tito_3SGT.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3SGT-query.scw
PDB file :
Tito_Scwrl_3SGT.pdb
: