Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSVEPDVETLDPPLPPVPDGAVMVTVKIARFNPDDPDAFAATGGWQSFRVPCLPSDR-----LLNLLIYIKGYLDGTLTFRRSCAHGVCGSDAMRINGVNRLACKVLMRDLLPKKKGKSLTVTVEPIRGLPVEKDLVVDMEPFFDAYRAIKPYLITSG-NPPTRERIQSPTDRARYDDTTKCILCACCTTSCPVFW-HEGSYFGPAAIVNAHRFIFDSRDEAAAERLDILNEVDGVWRCRTTFNCTESCPRGIEVTKAIQEVKRALMFTR
2WP9 Chain:B ((3-234))
-----------------------LEFSIYRYNPDVDDA-------PRMQDYTLEADEGRDMMLLDALIQLKEK-DPSLSFRRSCREGVCGSDGLNMNGKNGLACITPISAL--NQPGKK--IVIRPLPGLPVIRDLVVDMGQFYAQYEKIKPYLLNNGQNPPAREHLQMPEQREKLDGLYECILCACCSTSCPSFWWNPDKFIGPAGLLAAYRFLIDSRDTETDSRLDGLSDAFSVFRCTSIMNCVSVCPKGLNPTRAIGHIKSMLL---
General information:
TITO was launched using:
RESULT:
Template:
2WP9.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -140520 for 1737 contacts (-80.9/contact) +
2D Compatibility (PS) -23812 + (NN) -11607 + (LL) 1680
1D Compatibility (HY) -22800 + (ID) 5200
Total energy: -202259.0 ( -116.44 by residue)
QMean score : 0.434
(partial model without unconserved sides chains):
PDB file :
Tito_2WP9.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2WP9-query.scw
PDB file :
Tito_Scwrl_2WP9.pdb
: