Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSDKKTQTRARILGAATQALLERGAVEPSVGEVMGAAGLTVGGFYAHFQSKDALMLEAFEQLLGKRRELLGELDPG-------------------LSGKERRALAAAFYLSRKHRDAQVDAGCPLP-ATLAEVARLPEGFREVLSRHVEIMVTSLAE-S-----PEETDVALADLVLMIGGLALARALGPGELSDRVLRAAKQAVN
3KKD Chain:A ((35-209))
------QRRQAILDAAMRLIVRDGVRAVRHRAVAAEAQVPLSAT-----DIDDLITDTFALFVERNAEALSAFWSSVEGDLQEMAAVLADDPGARGSLVERIVELAVQYVQVQLT--ERREHLLAEQAFRQE-ALLNPRLRELADAHQRILSLGAVHFFQVLGSGQPEQDAKVLTSIILQMEYQ----------------------
General information:
TITO was launched using:
RESULT:
Template:
3KKD.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -44769 for 957 contacts (-46.8/contact) +
2D Compatibility (PS) -15819 + (NN) -11434 + (LL) 2628
1D Compatibility (HY) -1200 + (ID) 1400
Total energy: -71994.0 ( -75.23 by residue)
QMean score : 0.485
(partial model without unconserved sides chains):
PDB file :
Tito_3KKD.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3KKD-query.scw
PDB file :
Tito_Scwrl_3KKD.pdb
: