Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSVEPDVETLDPPLPPVPDGAVMVTVKIARFNPDDPDAFAATGGWQSFRVP---CLPSDRLLNLLIYIKGYLDGTLTFRRSCAHGVCGSDAMRINGVNRLACKVLMRDLLPKKKGKSLTVTVEPIRGLPVEKDLVVDMEPFFDAYRAIKPYLIT--SGNPPTRERIQSPTDRARYDDTTKCILCACCTTSCPVFWHEG-SYFGPAAIVNAHRFIFDSRDEAAAERLDILNEVDGVWRCRTTFNCTESCPRGIEVTKAIQEVKRALMFTR
3AE2 Chain:B ((20-242))
----------------------------------DPDKTGDKPHMQTYEIDLNNCGP--MVLDALIKIKNEIDSTLTFRRSCREGICGSCAMNINGGNTLACTRRIDTNLDK------VSKIYPLPHMYVIKDLVPDLSNFYAQYKSIEPYLKKKDESQEGKQQYLQSIEEREKLDGLYECILCACCSTSCPSYWWNGDKYLGPAVLMQAYRWMIDSRDDFTEERLAKLQDPFSLYRCHTIMNCTGTCPKGLNPGKAIAEIKKMM----
General information:
TITO was launched using:
RESULT:
Template:
3AE2.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -131633 for 1598 contacts (-82.4/contact) +
2D Compatibility (PS) -23100 + (NN) -11906 + (LL) 2012
1D Compatibility (HY) -19200 + (ID) 4650
Total energy: -188477.0 ( -117.95 by residue)
QMean score : 0.370
(partial model without unconserved sides chains):
PDB file :
Tito_3AE2.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3AE2-query.scw
PDB file :
Tito_Scwrl_3AE2.pdb
: