Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MILDYNKLKQETKAIVVDIIERSALKKGQIFVLGLSSSEVSGGLIGKNSSSEIGEIIVEVILKELHSRGIYLAVQGCEHVNRALVVEAELAERQQLEVVNVVPNLHAGGSGQVAAFKLMTSPVEVEEIVAHAGIDIGDTSIGMHIKRVQVPLIPISRELGGAHVTALASRPKLIGGARAGYTSDPIRKF
3SMA Chain:A ((25-75))
-------------DRLASDLAALGVRPGGVLLVHASLSAL-GWVCGG------AQAVVLALQDAVGKEGTLVMPTFSGDLSDPSTWRRPPVPEDWWPVIREQMPPFDPDLTPTRGMGAVAECFRRAAGAVRSGHPQNSFAAWGAHAEQVVAEHGLTERLGRGSPLEQVYRLDGQVLLLGCGFESNTSFH
General information:
TITO was launched using:
RESULT:
Template:
3SMA.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -35872 for 290 contacts (-123.7/contact) +
2D Compatibility (PS) -5576 + (NN) -1564 + (LL) 1284
1D Compatibility (HY) -2800 + (ID) 350
Total energy: -44878.0 ( -154.75 by residue)
QMean score : 0.488
(partial model without unconserved sides chains):
PDB file :
Tito_3SMA.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3SMA-query.scw
PDB file :
Tito_Scwrl_3SMA.pdb
: