Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MAKFSDYQLILDELKMTLSHVEADEFSTFASKILHAEHIFVAGKGRS---GFVANSFAMRLNQLGKQAHVVGE--STTPAIKSNDVFVIISGSGSTEHLRLLADKAKSVGADIVLITTNKDSAIGNLAGTNIVLPAGTKYDEQGSAQPLGSLFEQASQLFLDSVVMGLMTEMNVTEQTMQQNHANLE
4S1W Chain:A ((48-153))
-----------------------------------ADRIYVIAAGTSYHAGLVGKEFLEKWAGVPTEVHVASEFVYNMPLLSEKPLFVYISQSGETADSRAVLVETNKLGHKSLTITNVAGSTLSREADHTLLLHAGPE------------------------------------------------
General information:
TITO was launched using:
RESULT:
Template:
4S1W.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -44307 for 719 contacts (-61.6/contact) +
2D Compatibility (PS) -10993 + (NN) -6842 + (LL) 6944
1D Compatibility (HY) -6400 + (ID) 1400
Total energy: -62998.0 ( -87.62 by residue)
QMean score : 0.622
(partial model without unconserved sides chains):
PDB file :
Tito_4S1W.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4S1W-query.scw
PDB file :
Tito_Scwrl_4S1W.pdb
: