Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSVEPDVETLDPPLPPVPDGAVMVTVKIARFNPDDPDAFAATGGWQSFRVPCLPSDR-----LLNLLIYIKGYLDGTLTFRRSCAHGVCGSDAMRINGVNRLACKVLMRDLLPKKKGKSLTVTVEPIRGLPVEKDLVVDMEPFFDAYRAIKPYLITSG-NPPTRERIQSPTDRARYDDTTKCILCACCTTSCPVFW-HEGSYFGPAAIVNAHRFIFDSRDEAAAERLDILNEVDGVWRCRTTFNCTESCPRGIEVTKAIQEVKRALMFTR
2WU2 Chain:F ((3-234))
-----------------------LEFSIYRYNPDVDDA-------PRMQDYTLEADEGRDMMLLDALIQLKEK-DPSLSFRRSCREGVCGSDGLNMNGKNGLACITPISAL--NQPGKK--IVIRPLPGLPVIRDLVVDMGQFYAQYEKIKPYLLNNGQNPPAREHLQMPEQREKLDGLYECILCACCSTSCPSFWWNPDKFIGPAGLLAAYRFLIDSRDTETDSRLDGLSDAFSVFRCHSIMNCVSVCPKGLNPTRAIGHIKSMLL---
General information:
TITO was launched using:
RESULT:
Template:
2WU2.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -138291 for 1759 contacts (-78.6/contact) +
2D Compatibility (PS) -23700 + (NN) -11096 + (LL) 1680
1D Compatibility (HY) -22800 + (ID) 5200
Total energy: -199407.0 ( -113.36 by residue)
QMean score : 0.470
(partial model without unconserved sides chains):
PDB file :
Tito_2WU2.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2WU2-query.scw
PDB file :
Tito_Scwrl_2WU2.pdb
: