# Supplementary Information for "Direct observations of conformational # distributions of intrinsically disordered p53 peptides using UV Raman and # explicit solvent simulations." by Kan Xiong, Matthew C. Zwier, # Nataliya S. Myshakina, Virginia M. Burger, Sanford A. Asher, and # Lillian T. Chong. # # Please direct inquiries to asher@pitt.edu or ltchong@pitt.edu # # Psi distribution from MD simulations for P27S mutant p53 # Psi angle (degrees) Probability density (deg^-1) -1.800000000000000000e+02 5.770299026603881859e-03 -1.760000000000000000e+02 4.014938511105604034e-03 -1.720000000000000000e+02 2.762086263919393686e-03 -1.680000000000000000e+02 1.894661276952133494e-03 -1.640000000000000000e+02 1.366514831685368241e-03 -1.600000000000000000e+02 9.776691478724586562e-04 -1.560000000000000000e+02 7.118867134420962068e-04 -1.520000000000000000e+02 5.076359037030073792e-04 -1.480000000000000000e+02 4.008101663917684526e-04 -1.440000000000000000e+02 3.102219411518378428e-04 -1.400000000000000000e+02 2.811653406031808548e-04 -1.360000000000000000e+02 2.709100698213019178e-04 -1.320000000000000000e+02 2.589455872424431581e-04 -1.280000000000000000e+02 2.341620161862357271e-04 -1.240000000000000000e+02 2.452718928666045755e-04 -1.200000000000000000e+02 2.085238392315383847e-04 -1.160000000000000000e+02 2.068146274345585619e-04 -1.120000000000000000e+02 2.170698982164374988e-04 -1.080000000000000000e+02 2.281797748968063472e-04 -1.040000000000000000e+02 1.982685684496594478e-04 -1.000000000000000000e+02 1.922863271602300679e-04 -9.600000000000000000e+01 1.922863271602300679e-04 -9.200000000000000000e+01 1.871586917692905994e-04 -8.800000000000000000e+01 2.033962038405989162e-04 -8.400000000000000000e+01 2.820199465016707662e-04 -8.000000000000000000e+01 4.136292548691171238e-04 -7.600000000000000000e+01 6.212984882021655971e-04 -7.200000000000000000e+01 9.930520540452770616e-04 -6.800000000000000000e+01 1.694683496705494223e-03 -6.400000000000000000e+01 2.811653406031808331e-03 -6.000000000000000000e+01 4.873817439087964679e-03 -5.600000000000000000e+01 8.038423081196106532e-03 -5.200000000000000000e+01 1.241315067556596208e-02 -4.800000000000000000e+01 1.869877705895926084e-02 -4.400000000000000000e+01 2.598771076717971626e-02 -4.000000000000000000e+01 3.341081760146308310e-02 -3.600000000000000000e+01 4.030748720227667059e-02 -3.200000000000000000e+01 4.531718697922453021e-02 -2.800000000000000000e+01 4.752634322682094958e-02 -2.400000000000000000e+01 4.743233657798705954e-02 -2.000000000000000000e+01 4.556673190158358477e-02 -1.600000000000000000e+01 4.228504525138232495e-02 -1.200000000000000000e+01 3.817610009144283001e-02 -8.000000000000000000e+00 3.404151675454863968e-02 -4.000000000000000000e+00 2.958303778212677260e-02 0.000000000000000000e+00 2.495021920641296229e-02 4.000000000000000000e+00 2.112329399297514093e-02 8.000000000000000000e+00 1.741686821122439416e-02 1.200000000000000000e+01 1.454539239229829181e-02 1.600000000000000000e+01 1.200977669147872476e-02 2.000000000000000000e+01 1.012280686761300036e-02 2.400000000000000000e+01 8.735781494363874244e-03 2.800000000000000000e+01 7.597446437575311809e-03 3.200000000000000000e+01 6.701819455957884648e-03 3.600000000000000000e+01 5.981386683530889870e-03 4.000000000000000000e+01 5.184039380239802847e-03 4.400000000000000000e+01 4.379000623862305645e-03 4.800000000000000000e+01 3.732063958705443031e-03 5.200000000000000000e+01 3.178279336483980436e-03 5.600000000000000000e+01 2.708246092314528942e-03 6.000000000000000000e+01 2.421098510421919141e-03 6.400000000000000000e+01 2.065582456650115993e-03 6.800000000000000000e+01 1.857058617418577392e-03 7.200000000000000000e+01 1.716903250066231920e-03 7.600000000000000000e+01 1.703229555690393337e-03 8.000000000000000000e+01 1.693828890807004420e-03 8.400000000000000000e+01 1.704084161588883357e-03 8.800000000000000000e+01 1.845094134839718632e-03 9.200000000000000000e+01 2.117713416458000264e-03 9.600000000000000000e+01 2.600565749104800321e-03 1.000000000000000000e+02 3.068889781477271775e-03 1.040000000000000000e+02 4.045704323451240411e-03 1.080000000000000000e+02 5.182330168442822807e-03 1.120000000000000000e+02 6.452274533598830950e-03 1.160000000000000000e+02 8.327279874885696806e-03 1.200000000000000000e+02 1.056549272303077512e-02 1.240000000000000000e+02 1.280028714758189336e-02 1.280000000000000000e+02 1.539657986719424401e-02 1.320000000000000000e+02 1.788348303179988427e-02 1.360000000000000000e+02 2.041995333851794395e-02 1.400000000000000000e+02 2.340509174194320419e-02 1.440000000000000000e+02 2.650645654756308978e-02 1.480000000000000000e+02 2.901899788912343237e-02 1.520000000000000000e+02 3.033509097279789291e-02 1.560000000000000000e+02 2.995479134796988352e-02 1.600000000000000000e+02 2.715681163631391420e-02 1.640000000000000000e+02 2.198815516224692998e-02 1.680000000000000000e+02 1.674771179270679450e-02 1.720000000000000000e+02 1.193628058420859173e-02 1.760000000000000000e+02 8.400775982155828103e-03