Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSDKKTQTRARILGAATQALLERGAVEPSVGEVMGAAGLTVGGFYAHFQSKDALMLEAFEQLLGKRRELLGELDPGLSGKERRALAAAFYLSRKHRDAQVDAGCPLPATLAEVARLPEGFREVLSRHVEIMVTSLAE-SP-EETDVALADLVLMIGGLALARALGPGELSDRVLRAAKQAVN
2FD5 Chain:A ((1-179))
MSDKKTQTRARILGAATQALLERGAVEPSVGEVMGAAGLTVGGFYAHFQSKDALMLEAFEQLLGKRRELLGELDPGLSGKERRALAAAFYLSRKHRDAQVDAGCPLPATLAEVARLPEGFREVLSRHVEIMVTSLAESPEETDVALADL-VL-MIGGLALARALGPGELSDRVLRAAKQAV-
General information:
TITO was launched using:
RESULT:
Template:
2FD5.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -88710 for 1308 contacts (-67.8/contact) +
2D Compatibility (PS) -19459 + (NN) -15408 + (LL) 20
1D Compatibility (HY) -21200 + (ID) 8300
Total energy: -153057.0 ( -117.02 by residue)
QMean score : 0.574
(partial model without unconserved sides chains):
PDB file :
Tito_2FD5.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2FD5-query.scw
PDB file :
Tito_Scwrl_2FD5.pdb
: