------------------------------------------------------------ HYDROPRO Version 7.C J. Garcia de la Torre, M.L. Huertas and B. Carrasco, "Calculation of hydrodynamic properties of globular proteins from their atomic-level structure". Biophys. J. 78, 719-730 (2000). ------------------------------------------------------------ SUMMARY OF DATA AND RESULTS This file: lysozyme31.res Case: 3.1-lysozyme Structural file: 6lyz.pdb Temperature: 293.0 K Solvent viscosity: 0.01000 poise Molecular weight: 1.432E+04 Da Specific volume of solute: 0.702 cm3/g Solution Density: 1.000 g/cm3 Radius of atomic elements: 3.1 Angs Translational diffusion coefficient: 1.079E-06 cm2/s Stokes (translational) radius: 1.988E-07 cm Radius of gyration: 1.527E-07 cm Volume: 2.416E-20 cm3 Rotational diffusion coefficient: 1.951E+07 s-1 Relaxation time (1): 9.642E-09 s Relaxation time (2): 9.112E-09 s Relaxation time (3): 8.984E-09 s Relaxation time (4): 7.639E-09 s Relaxation time (5): 7.637E-09 s Harm. mean relax.(correlation) time: 8.523E-09 s Intrinsic viscosity: 3.488E+00 cm3/g Sedimentation coefficient: 1.891E+00 svedberg Longest distance : 5.356E-07 cm Distribution of distances 30 intervals between RMIN and RMAX centered at R; Values of p(R) RMIN(cm) RMAX(cm) R(cm) p(R)(cm^(-1)) 0.000E+00 1.785E-08 8.927E-09 2.256E+05 1.785E-08 3.571E-08 2.678E-08 3.701E+05 3.571E-08 5.356E-08 4.464E-08 1.097E+06 5.356E-08 7.142E-08 6.249E-08 1.746E+06 7.142E-08 8.927E-08 8.035E-08 2.490E+06 8.927E-08 1.071E-07 9.820E-08 3.331E+06 1.071E-07 1.250E-07 1.161E-07 3.936E+06 1.250E-07 1.428E-07 1.339E-07 4.588E+06 1.428E-07 1.607E-07 1.518E-07 4.958E+06 1.607E-07 1.785E-07 1.696E-07 5.040E+06 1.785E-07 1.964E-07 1.875E-07 5.053E+06 1.964E-07 2.143E-07 2.053E-07 4.824E+06 2.143E-07 2.321E-07 2.232E-07 4.370E+06 2.321E-07 2.500E-07 2.410E-07 3.698E+06 2.500E-07 2.678E-07 2.589E-07 2.966E+06 2.678E-07 2.857E-07 2.768E-07 2.240E+06 2.857E-07 3.035E-07 2.946E-07 1.658E+06 3.035E-07 3.214E-07 3.125E-07 1.183E+06 3.214E-07 3.392E-07 3.303E-07 8.493E+05 3.392E-07 3.571E-07 3.482E-07 5.691E+05 3.571E-07 3.750E-07 3.660E-07 3.725E+05 3.750E-07 3.928E-07 3.839E-07 2.357E+05 3.928E-07 4.107E-07 4.017E-07 1.463E+05 4.107E-07 4.285E-07 4.196E-07 7.758E+04 4.285E-07 4.464E-07 4.374E-07 2.716E+04 4.464E-07 4.642E-07 4.553E-07 8.831E+03 4.642E-07 4.821E-07 4.732E-07 6.707E+02 4.821E-07 4.999E-07 4.910E-07 0.000E+00 4.999E-07 5.178E-07 5.089E-07 0.000E+00 5.178E-07 5.356E-07 5.267E-07 0.000E+00 Check for normalization: (RMAX-RMIN)*SUM(p(R))= 1.001E+00 SHOULD BE= 1 Calculation of scattering form factor, P vs h h P(h) 0.00E+00 1.00E+00 1.00E+06 9.94E-01 2.00E+06 9.74E-01 3.00E+06 9.43E-01 4.00E+06 9.01E-01 5.00E+06 8.49E-01 6.00E+06 7.90E-01 7.00E+06 7.25E-01 8.00E+06 6.57E-01 9.00E+06 5.87E-01 1.00E+07 5.17E-01 1.10E+07 4.49E-01 1.20E+07 3.84E-01 1.30E+07 3.24E-01 1.40E+07 2.69E-01 1.50E+07 2.20E-01 1.60E+07 1.77E-01 1.70E+07 1.40E-01 1.80E+07 1.09E-01 1.90E+07 8.37E-02 2.00E+07 6.32E-02 Monte Carlo simulation of covolume of bead models Number of trials= 1000 divided into 10 subsets Covolume= 2.954E-19 +- 2.533E-20 cm3 Center of diffusion (x): 2.085E-07 cm Center of diffusion (y): 1.762E-07 cm Center of diffusion (z): 2.396E-07 cm Generalized (6x6) diffusion matrix: (Dtt Dtr) (Drt Drr) 1.078E-06 -1.040E-08 4.643E-08 1.833E-02 3.131E-02 1.629E-02 -1.036E-08 1.062E-06 -1.022E-08 3.122E-02 -3.087E-04 -1.193E-02 4.639E-08 -1.019E-08 1.098E-06 1.630E-02 -1.183E-02 -1.387E-02 1.833E-02 3.122E-02 1.630E-02 1.986E+07 -9.130E+05 3.432E+06 3.131E-02 -3.087E-04 -1.183E-02 -9.130E+05 1.770E+07 -9.384E+05 1.629E-02 -1.193E-02 -1.387E-02 3.432E+06 -9.384E+05 2.097E+07