Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSVEPDVETLDPPLPPVPDGAVMVTVKIARFNPDDPDAFAATGGWQSFRVP---CLPSDRLLNLLIYIKGYLDGTLTFRRSCAHGVCGSDAMRINGVNRLACKVLMRDLLPKKKGKSLTVTVEPIRGLPVEKDLVVDMEPFFDAYRAIKPYLIT--SGNPPTRERIQSPTDRARYDDTTKCILCACCTTSCPVFWHEG-SYFGPAAIVNAHRFIFDSRDEAAAERLDILNEVDGVWRCRTTFNCTESCPRGIEVTKAIQEVKRALMFTR
3AE3 Chain:B ((20-242))
----------------------------------DPDKTGDKPHMQTYEIDLNNCGP--MVLDALIKIKNEIDSTLTFRRSCREGICGSCAMNINGGNTLACTRRIDTNLDK------VSKIYPLPHMYVIKDLVPDLSNFYAQYKSIEPYLKKKDESQEGKQQYLQSIEEREKLDGLYECILCACCSTSCPSYWWNGDKYLGPAVLMQAYRWMIDSRDDFTEERLAKLQDPFSLYRCHTIMNCTGTCPKGLNPGKAIAEIKKMM----
General information:
TITO was launched using:
RESULT:
Template:
3AE3.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -122396 for 1587 contacts (-77.1/contact) +
2D Compatibility (PS) -22970 + (NN) -10366 + (LL) 2012
1D Compatibility (HY) -19200 + (ID) 4650
Total energy: -177570.0 ( -111.89 by residue)
QMean score : 0.386
(partial model without unconserved sides chains):
PDB file :
Tito_3AE3.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3AE3-query.scw
PDB file :
Tito_Scwrl_3AE3.pdb
: