Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSDKKTQTRARILGAATQALLERGAVEPSVGEVMGAAGLTVGGFYAHFQSKDALMLEAFEQLLGKRRELLGELDPG-LSGKERRALAAAFYLSRKHRDAQVDAGCPLPATLAEVARLPEGFREVLSRHVEI----MVTSLA---E-S-----PEETDVALADLVLMIGGLALARALGPGELSDRVLRAAKQAVN
2G7S Chain:A ((3-190))
---NPQSKADDILQCARTLIIRGGYNSFSYADISQVVGIRNASIHHHFPSKSDLVCKLVSQYRQEAEAGIAELEKNISDPLEQLRAYIGYWEGCIAD--ATHPFCVCALLASEIPVLPETVVLEVRAHFRSLSDWLTAVLERGIAQGRLVLTGTARANAEIFMATVHGAMLSARAHGDAATFGAITRP-LERI-
General information:
TITO was launched using:
RESULT:
Template:
2G7S.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -46795 for 1171 contacts (-40.0/contact) +
2D Compatibility (PS) -18450 + (NN) -9013 + (LL) 508
1D Compatibility (HY) -800 + (ID) 1250
Total energy: -75800.0 ( -64.73 by residue)
QMean score : 0.419
(partial model without unconserved sides chains):
PDB file :
Tito_2G7S.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2G7S-query.scw
PDB file :
Tito_Scwrl_2G7S.pdb
: