Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSEKQVALYIAVSLDGYIADENGSVEWLES---------IDS------------------------EGDAGYEAFFDNVDTVVMGRTTYQQIFS-LTDTFPYSKKDVYVFSNTKAGT--KDEYAD--FVAGTVDTWLNNID----GEKIWLVGGAKLVQQFLKERAIDRFVITIAPIILGKGIPLFEEDQ--EHALELEEVTRFGQFAQLTYKNLEEN
3KGY Chain:A ((19-231))
-GMSKVFVNISLSLDGFMAPEGMDMAHFSDPTYKNWGAKWGALMAWALSQQYLREKLKLGTGGETGPVNDMVRHTFERTGAHIMGKRMFEGGERGWPEEAPF-HTPVYVLTHERRNPWVRPGGTTFYFVNDGPEQALALAREAAGERDIRISGGANVIQQYLNLGLVDELEIALIPVIFGGGRRLFENLHEPLPQFRIDRVLASPTATHLRYVRL---
General information:
TITO was launched using:
RESULT:
Template:
3KGY.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -98020 for 1194 contacts (-82.1/contact) +
2D Compatibility (PS) -18046 + (NN) -2570 + (LL) 308
1D Compatibility (HY) -10800 + (ID) 1900
Total energy: -131028.0 ( -109.74 by residue)
QMean score : 0.410
(partial model without unconserved sides chains):
PDB file :
Tito_3KGY.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3KGY-query.scw
PDB file :
Tito_Scwrl_3KGY.pdb
: