Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSVEPDVETLDPPLPPVPDGAVMVTVKIARFNPDDPDAFAATGGWQSFRVPCLPSDR-----LLNLLIYIKGYLDGTLTFRRSCAHGVCGSDAMRINGVNRLACKVLMRDLLPKKKGKSLTVTVEPIRGLPVEKDLVVDMEPFFDAYRAIKPYLITSG-NPPTRERIQSPTDRARYDDTTKCILCACCTTSCPVFW-HEGSYFGPAAIVNAHRFIFDSRDEAAAERLDILNEVDGVWRCRTTFNCTESCPRGIEVTKAIQEVKRALMFTR
2WS3 Chain:B ((3-234))
-----------------------LEFSIYRYNPDVDDA-------PRMQDYTLEADEGRDMMLLDALIQLKEK-DPSLSFRRSCREGVCGSDGLNMNGKNGLACITPISAL--NQPGKK--IVIRPLPGLPVIRDLVVDMGQFYAQYEKIKPYLLNNGQNPPAREHLQMPEQREKLDGLYECILCACCSTSCPSFWWNPDKFIGPAGLLAAYRFLIDSRDTETDSRLDGLSDAFSVFRCHSIMNCVSVCPKGLNPTRAIGHIKSMLL---
General information:
TITO was launched using:
RESULT:
Template:
2WS3.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -131388 for 1742 contacts (-75.4/contact) +
2D Compatibility (PS) -23432 + (NN) -9127 + (LL) 1680
1D Compatibility (HY) -22800 + (ID) 5200
Total energy: -190267.0 ( -109.22 by residue)
QMean score : 0.476
(partial model without unconserved sides chains):
PDB file :
Tito_2WS3.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2WS3-query.scw
PDB file :
Tito_Scwrl_2WS3.pdb
: