Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MGLMKFQLFIQPKLDVLQGNIVEYEILLR-DDSAVPRFPLSELEAVLADEELYLAFSEWFSEAFLDVL---KKYPNDRFAINIAPQQLFYI------ETLHWLDKLKSESHRITVEMTEDIFDVPGHKRHLNANDKNAFILNKIKVIHGLGYHIAIDDVSCGLNSLERVMSYLPYIIEIKFSLIHFKNIPLEDLLLFIKAWANFAQKNKLDFVVEGIETKETMTLLESHGVSIFQGYLVNKPFPV
4KIE Chain:A ((27-254))
----EFKPWIQPVFCAQTGVLTGCEVLVRWEHPQTGIIPPDQFIPLAESSGLIVIMTRQLMKQTADILMPVKHLLPDNFHIGINVSAGCFLAAGFEKECLNLVNKLGNDKIKLVLELTE--------RNPIPVTPEARAIFDSL---HQHNITFALDDFGTGYATYRYLQAFPVDFIKIDKSFVQMASVD-EISGHIVDNIVELARKPGLSIVAEGVETQEQADLMIGKGVHFLQGYLYSPPVP-
General information:
TITO was launched using:
RESULT:
Template:
4KIE.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -135943 for 1686 contacts (-80.6/contact) +
2D Compatibility (PS) -23319 + (NN) -13701 + (LL) 1356
1D Compatibility (HY) -18400 + (ID) 2600
Total energy: -192607.0 ( -114.24 by residue)
QMean score : 0.549
(partial model without unconserved sides chains):
PDB file :
Tito_4KIE.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4KIE-query.scw
PDB file :
Tito_Scwrl_4KIE.pdb
: