Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSDKKTQTRARILGAATQALLERGAVEPSVGEVMGAAGLTVGGFYAHFQS-KDALMLEAFEQLLGKRRELLGELDPGLSGKERRALAAAFYLSRKHRDAQVDAGCPLPATLAEVARLPEGFREVLSRHVEIMVTSLAESPEE--------TDVALADLVLMIGGLALARALGPGELSDRVLRAAKQAVN
1SGM Chain:A ((5-188))
-----GDSREKILHTASRLSQLQGYHATGLNQIVKESGAPKGSLYHFFPNGKEELAIEAVTYTGKIVEHLIQQSMDESSDPVEAIQLFIKKTASQFDNTESIKGIPVGLLASETALISEPLRTVCMKVFKSWEAVFARKLMENGFAEEEANQLGTLINSMIEGGIMLSLTNKDKTPLLLIAEQIPVLVR
General information:
TITO was launched using:
RESULT:
Template:
1SGM.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -64716 for 1341 contacts (-48.3/contact) +
2D Compatibility (PS) -19513 + (NN) -14773 + (LL) 232
1D Compatibility (HY) -1200 + (ID) 1400
Total energy: -101370.0 ( -75.59 by residue)
QMean score : 0.438
(partial model without unconserved sides chains):
PDB file :
Tito_1SGM.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1SGM-query.scw
PDB file :
Tito_Scwrl_1SGM.pdb
: