Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MGMDQQPNPPDVDAFLDSTLVGDDPALAAALAASDAAELPRIAVSAQQGKFLCLLAGAIQARRVLEIGTLGGFSTIWLARGAGPQGRVVTLEYQPKHAEVARVNLQRAGVADRVEVVVGPALDTLPTL----AGGPFDLVFIDADKENNVAYIQWAIRLARRGAVIVVDNVIRGGGILAES-DDADAVAARRTLQMMGEHPGLDATAIQTVGRKGWDGFALALVR
3R3H Chain:A ((6-220))
-----LSLTPELYKYLLDISLREHPALAALRKETSTMELANMQVAPEQAQFMQMLIRLTRAKKVLELGTFTGYSALAMSLALPDDGQVITCDINEGWTKHAHPYWREAKQEHKIKLRLGPALDTLHSLLNEGGEHQFDFIFIDADKTNYLNYYELALKLVTPKGLIAIDNIFWDGKVIDPNDTSGQTREIKKLNQVIKNDSRVFVSLLAIA-----DGMFLVQPI
General information:
TITO was launched using:
RESULT:
Template:
3R3H.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -139552 for 1683 contacts (-82.9/contact) +
2D Compatibility (PS) -23503 + (NN) -15939 + (LL) 264
1D Compatibility (HY) -15600 + (ID) 2700
Total energy: -197030.0 ( -117.07 by residue)
QMean score : 0.442
(partial model without unconserved sides chains):
PDB file :
Tito_3R3H.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3R3H-query.scw
PDB file :
Tito_Scwrl_3R3H.pdb
: