Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MLNQLKNNYFFAVIRGKSSEDALEIAKHAILGGIRNIEVTFSTPEASKVIKQLSDDFKNNKKIIVGAGTVMTTQLAKDAIDAGAKFLVSPHFDSDIANLANENKVYYFPGCATATEIVVARKYKCQIIKLFPGGVV-GPDFIKDIHGPIPDVDLMPSGGVSVSNVAEWRKAGAVAVGVGSALSSKVA--TEGYDSVTKIAKQFVSALD
1WBH Chain:A ((10-212))
-ESILTTGPVVPVIVVKKLEHAVPMAKALVAGGVRVLNVTLRTECAVDAIRAIAKEVP---EAIVGAGTVLNPQQLAEVTEAGAQFAISPGLTEPLLKAATEGTIPLIPGISTVSELMLGMDYGLKEFKFFPAEANGGVKALQAIAGPFSQVRFCPTGGISPANYRDYLALKSVLCIGGSWLVPADALEAGDYDRITKLAREAVEGAK
General information:
TITO was launched using:
RESULT:
Template:
1WBH.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -148788 for 1730 contacts (-86.0/contact) +
2D Compatibility (PS) -21568 + (NN) -11044 + (LL) 112
1D Compatibility (HY) -12800 + (ID) 3050
Total energy: -197138.0 ( -113.95 by residue)
QMean score : 0.576
(partial model without unconserved sides chains):
PDB file :
Tito_1WBH.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1WBH-query.scw
PDB file :
Tito_Scwrl_1WBH.pdb
: