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. Author manuscript; available in PMC: 2011 Apr 30.

Published in final edited form as: J Comput Chem. 2010 Apr 30;31(6):1154–1167. doi: 10.1002/jcc.21402

Fig. 6 — Stereoscopic views of the C^α traces of the average structures of the most native-like clusters of the proteins studied obtained in MREMD simulations with the UNRES force field incorporating the physics-based U_b potentials introduced in ref. 4 and the physics-based U_rot and U_bond potentials introduced in this work (grey thin sticks) superposed on the C^α traces of the corresponding experimental structures (black thick sticks): (a) 1ENH, (b) 1E0L, (c) 1BDD, (d) 1GAB, (e) 1LQ7, (f) 1E0G, (g) 1PGA. For 1PGA only the fragments encompassing the middle helix and C-terminal β-hairpin (from residues 20 to 56) are superposed. The RMSD's between the computed and the experimental structures are listed in the ρ_ave column of Table 4. The drawings were done with MOLMOL.²⁹

Fig. 6 — Stereoscopic views of the C^α traces of the average structures of the most native-like clusters of the proteins studied obtained in MREMD simulations with the UNRES force field incorporating the physics-based U_b potentials introduced in ref. 4 and the physics-based U_rot and U_bond potentials introduced in this work (grey thin sticks) superposed on the C^α traces of the corresponding experimental structures (black thick sticks): (a) 1ENH, (b) 1E0L, (c) 1BDD, (d) 1GAB, (e) 1LQ7, (f) 1E0G, (g) 1PGA. For 1PGA only the fragments encompassing the middle helix and C-terminal β-hairpin (from residues 20 to 56) are superposed. The RMSD's between the computed and the experimental structures are listed in the ρ_ave column of Table 4. The drawings were done with MOLMOL.²⁹