Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3pk0_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLY 1.A N ASP 5.A OD2 no hydrogen 3.049 N/A PHE 4.A N GLU 234.A OE2 no hydrogen 2.905 N/A GLN 7.A N ASP 5.A OD1 no hydrogen 2.995 N/A GLY 8.A N GLY 32.A O no hydrogen 2.971 N/A ARG 9.A N LEU 6.A O no hydrogen 3.074 N/A ARG 9.A NE ALA 231.A O no hydrogen 3.287 N/A ARG 9.A NH1 SER 137.A OG no hydrogen 2.747 N/A ARG 9.A NH2 SER 137.A O no hydrogen 2.867 N/A ARG 9.A NH2 ALA 231.A O no hydrogen 2.776 N/A SER 10.A N ASP 88.A OD2 no hydrogen 2.876 N/A VAL 11.A N ASN 34.A O no hydrogen 2.828 N/A VAL 12.A N VAL 89.A O no hydrogen 2.896 N/A VAL 13.A N ALA 36.A O no hydrogen 2.830 N/A THR 14.A N CYS 91.A O no hydrogen 3.080 N/A THR 14.A OG1 CYS 91.A O no hydrogen 3.425 N/A GLY 16.A N ALA 38.A O no hydrogen 2.893 N/A ARG 22.A N LYS 18.A O no hydrogen 3.085 N/A ARG 22.A NH2.B GLU 195.A OE2 no hydrogen 3.178 N/A GLY 23.A N GLY 19.A O no hydrogen 3.130 N/A ILE 24.A N ILE 20.A O no hydrogen 2.895 N/A ALA 25.A N GLY 21.A O no hydrogen 2.904 N/A THR 26.A N ARG 22.A O no hydrogen 2.885 N/A THR 26.A OG1 ARG 22.A O no hydrogen 2.721 N/A VAL 27.A N GLY 23.A O no hydrogen 3.212 N/A PHE 28.A N ILE 24.A O no hydrogen 3.144 N/A ALA 29.A N ALA 25.A O no hydrogen 2.902 N/A ARG 30.A N THR 26.A O no hydrogen 2.954 N/A ARG 30.A NH1 GLU 221.A OE1.B no hydrogen 2.580 N/A ARG 30.A NH2 GLU 221.A OE1.B no hydrogen 3.389 N/A ALA 31.A N VAL 27.A O no hydrogen 3.030 N/A GLY 32.A N ALA 29.A O no hydrogen 3.043 N/A ALA 33.A N PHE 28.A O no hydrogen 3.026 N/A ASN 34.A N ARG 9.A O no hydrogen 2.803 N/A ASN 34.A ND2 SER 10.A OG no hydrogen 3.077 N/A VAL 35.A N LYS 59.A O no hydrogen 2.889 N/A ALA 36.A N VAL 11.A O no hydrogen 2.853 N/A VAL 37.A N ILE 61.A O no hydrogen 2.859 N/A ALA 38.A N VAL 13.A O no hydrogen 2.990 N/A GLY 39.A N VAL 63.A O no hydrogen 3.360 N/A ILE 45.A N SER 41.A O no hydrogen 2.996 N/A ASP 46.A N THR 42.A O no hydrogen 2.981 N/A ALA 47.A N ALA 43.A O no hydrogen 3.163 N/A CYS 48.A N ASP 44.A O no hydrogen 2.942 N/A CYS 48.A SG GLY 16.A O no hydrogen 3.628 N/A VAL 49.A N ILE 45.A O no hydrogen 2.856 N/A ALA 50.A N ASP 46.A O no hydrogen 3.012 N/A ASP 51.A N ALA 47.A O no hydrogen 3.233 N/A LEU 52.A N CYS 48.A O no hydrogen 2.925 N/A ASP 53.A N VAL 49.A O no hydrogen 2.958 N/A LEU 55.A N LEU 52.A O no hydrogen 2.967 N/A LYS 59.A N ASN 34.A OD1 no hydrogen 2.857 N/A LYS 59.A NZ GLU 83.A O no hydrogen 3.047 N/A LYS 59.A NZ GLU 83.A OE1 no hydrogen 2.412 N/A ILE 61.A N VAL 35.A O no hydrogen 2.929 N/A VAL 63.A N VAL 37.A O no hydrogen 2.838 N/A GLN 64.A NE2 ARG 40.A O no hydrogen 2.842 N/A THR 65.A N GLY 39.A O no hydrogen 2.886 N/A THR 65.A OG1 VAL 63.A O no hydrogen 3.154 N/A ASP 66.A N GLN 72.A OE1 no hydrogen 2.867 N/A SER 68.A N ASP 66.A OD1 no hydrogen 2.968 N/A SER 68.A OG ASP 66.A OD1 no hydrogen 2.693 N/A SER 68.A OG ASP 66.A OD2 no hydrogen 3.378 N/A ASP 69.A N ASP 66.A O no hydrogen 2.964 N/A ARG 70.A NE ASP 74.A OD1 no hydrogen 2.836 N/A ARG 70.A NH2 ASP 74.A OD1 no hydrogen 3.078 N/A ALA 71.A N ASP 69.A OD1 no hydrogen 2.896 N/A GLN 72.A NE2 ASP 69.A OD2 no hydrogen 3.184 N/A CYS 73.A N ASP 69.A O no hydrogen 3.149 N/A CYS 73.A SG VAL 67.A O no hydrogen 3.389 N/A CYS 73.A SG ASP 69.A O no hydrogen 3.838 N/A ASP 74.A N ARG 70.A O no hydrogen 2.969 N/A ALA 75.A N ALA 71.A O no hydrogen 3.037 N/A LEU 76.A N GLN 72.A O no hydrogen 3.021 N/A ALA 77.A N CYS 73.A O no hydrogen 2.994 N/A GLY 78.A N ASP 74.A O no hydrogen 2.870 N/A ARG 79.A N ALA 75.A O no hydrogen 2.959 N/A ARG 79.A NH1 GLU 83.A OE2 no hydrogen 2.798 N/A ALA 80.A N LEU 76.A O no hydrogen 3.072 N/A VAL 81.A N ALA 77.A O no hydrogen 2.958 N/A GLU 82.A N GLY 78.A O no hydrogen 2.912 N/A GLU 83.A N ARG 79.A O no hydrogen 2.918 N/A PHE 84.A N ALA 80.A O no hydrogen 2.776 N/A GLY 85.A N VAL 81.A O no hydrogen 2.822 N/A ASP 88.A N SER 10.A O no hydrogen 2.824 N/A VAL 89.A N SER 10.A O no hydrogen 2.999 N/A VAL 90.A N ARG 139.A O no hydrogen 2.861 N/A CYS 91.A N VAL 12.A O no hydrogen 2.793 N/A ALA 92.A N VAL 141.A O no hydrogen 2.928 N/A ASN 93.A N THR 14.A OG1 no hydrogen 2.979 N/A ASN 93.A ND2 THR 14.A O no hydrogen 3.187 N/A ALA 94.A N THR 14.A OG1 no hydrogen 3.101 N/A VAL 96.A N ASN 117.A OD1 no hydrogen 2.896 N/A ALA 100.A N GLY 155.A O no hydrogen 2.806 N/A THR 104.A N PRO 101.A O no hydrogen 3.090 N/A THR 104.A OG1 PRO 101.A O no hydrogen 3.413 N/A THR 106.A N GLN 109.A OE1 no hydrogen 2.906 N/A THR 106.A OG1 GLN 109.A OE1 no hydrogen 3.552 N/A GLN 109.A N THR 106.A OG1 no hydrogen 2.969 N/A LEU 110.A N THR 106.A O no hydrogen 2.963 N/A ASN 111.A N PRO 107.A O no hydrogen 2.881 N/A ASN 111.A ND2 PRO 107.A O no hydrogen 2.943 N/A GLY 112.A N GLU 108.A O no hydrogen 2.957 N/A ILE 113.A N GLN 109.A O no hydrogen 3.277 N/A PHE 114.A N LEU 110.A O no hydrogen 3.272 N/A ALA 115.A N ASN 111.A O no hydrogen 2.946 N/A VAL 116.A N GLY 112.A O no hydrogen 3.320 N/A ASN 117.A N ILE 113.A O no hydrogen 2.901 N/A ASN 117.A ND2 VAL 96.A O no hydrogen 2.988 N/A ASN 117.A ND2 THR 162.A OG1 no hydrogen 2.961 N/A VAL 118.A N PHE 114.A O no hydrogen 2.956 N/A ASN 119.A N PHE 114.A O no hydrogen 2.976 N/A GLY 120.A N ALA 115.A O no hydrogen 3.219 N/A THR 121.A OG1 ASN 117.A O no hydrogen 3.059 N/A PHE 122.A N VAL 118.A O no hydrogen 3.061 N/A TYR 123.A N ASN 119.A O no hydrogen 2.797 N/A ALA 124.A N GLY 120.A O no hydrogen 3.106 N/A VAL 125.A N THR 121.A O no hydrogen 3.180 N/A GLN 126.A N PHE 122.A O no hydrogen 2.838 N/A ALA 127.A N TYR 123.A O no hydrogen 2.872 N/A CYS 128.A N ALA 124.A O no hydrogen 3.276 N/A CYS 128.A SG ALA 124.A O no hydrogen 3.357 N/A LEU 129.A N GLN 126.A O no hydrogen 3.172 N/A LEU 132.A N CYS 128.A O no hydrogen 2.901 N/A ILE 133.A N LEU 129.A O no hydrogen 2.849 N/A ALA 134.A N ASP 130.A O no hydrogen 3.041 N/A SER 135.A N ALA 131.A O no hydrogen 2.817 N/A SER 135.A OG ASP 88.A OD1 no hydrogen 2.737 N/A SER 137.A N SER 135.A OG no hydrogen 3.124 N/A ARG 139.A N ASP 88.A O no hydrogen 2.881 N/A ARG 139.A NE LEU 230.A O no hydrogen 3.147 N/A ARG 139.A NE THR 232.A O no hydrogen 3.319 N/A ARG 139.A NH1 GLY 138.A O no hydrogen 2.951 N/A ARG 139.A NH2 THR 232.A O no hydrogen 2.927 N/A VAL 140.A N THR 183.A O no hydrogen 2.874 N/A VAL 141.A N VAL 90.A O no hydrogen 2.906 N/A LEU 142.A N ASN 185.A O no hydrogen 2.867 N/A THR 143.A N ALA 92.A O no hydrogen 2.989 N/A THR 143.A OG1 ASN 93.A OD1 no hydrogen 2.696 N/A SER 144.A N ILE 187.A O no hydrogen 2.731 N/A SER 144.A OG LYS 163.A O no hydrogen 2.828 N/A ILE 146.A N PRO 189.A O no hydrogen 3.152 N/A THR 147.A N SER 145.A OG no hydrogen 2.975 N/A GLY 148.A N THR 151.A O no hydrogen 2.898 N/A ILE 150.A N ILE 146.A O no hydrogen 2.984 N/A THR 151.A N ILE 146.A O no hydrogen 2.962 N/A THR 151.A OG1 ILE 146.A O no hydrogen 3.297 N/A TRP 156.A N TYR 153.A O no hydrogen 2.945 N/A TRP 156.A NE1 PHE 97.A O no hydrogen 2.894 N/A TYR 159.A N HIS 158.A ND1 no hydrogen 2.952 N/A GLY 160.A N TRP 156.A O no hydrogen 2.852 N/A ALA 161.A N SER 157.A O no hydrogen 3.017 N/A THR 162.A N HIS 158.A O no hydrogen 2.884 N/A THR 162.A OG1 TYR 159.A O no hydrogen 2.690 N/A LYS 163.A N TYR 159.A O no hydrogen 2.942 N/A LYS 163.A NZ THR 143.A O no hydrogen 2.949 N/A LYS 163.A NZ GLN 166.A OE1 no hydrogen 3.140 N/A ALA 164.A N GLY 160.A O no hydrogen 3.010 N/A ALA 165.A N ALA 161.A O no hydrogen 2.962 N/A GLN 166.A N THR 162.A O no hydrogen 3.166 N/A GLN 166.A NE2 THR 121.A OG1 no hydrogen 3.019 N/A GLN 166.A NE2 THR 143.A O no hydrogen 3.158 N/A GLY 168.A N ALA 164.A O no hydrogen 3.035 N/A PHE 169.A N ALA 165.A O no hydrogen 2.967 N/A MET 170.A N GLN 166.A O no hydrogen 2.911 N/A ARG 171.A N LEU 167.A O no hydrogen 3.010 N/A ALA 173.A N PHE 169.A O no hydrogen 2.906 N/A ALA 174.A N MET 170.A O no hydrogen 2.859 N/A ILE 175.A N THR 172.A O no hydrogen 2.919 N/A GLU 176.A N THR 172.A O no hydrogen 2.888 N/A LEU 177.A N ALA 173.A O no hydrogen 2.841 N/A ALA 178.A N ILE 175.A O no hydrogen 3.351 N/A HIS 180.A N LEU 177.A O no hydrogen 2.924 N/A LYS 181.A N ALA 178.A O no hydrogen 2.904 N/A ILE 182.A N LEU 177.A O no hydrogen 3.384 N/A THR 183.A N GLY 138.A O no hydrogen 3.133 N/A VAL 184.A N THR 239.A OG1 no hydrogen 3.000 N/A ASN 185.A N VAL 140.A O no hydrogen 2.924 N/A ASN 185.A ND2 ILE 238.A O no hydrogen 2.939 N/A ALA 186.A N GLN 241.A O no hydrogen 2.921 N/A ILE 187.A N LEU 142.A O no hydrogen 2.819 N/A MET 188.A N ILE 243.A O no hydrogen 2.823 N/A GLY 190.A N VAL 245.A O no hydrogen 2.894 N/A ASN 191.A ND2 GLN 249.A OE1 no hydrogen 2.748 N/A MET 193.A N GLY 218.A O no hydrogen 2.815 N/A LEU 197.A N THR 194.A OG1 no hydrogen 3.208 N/A LEU 198.A N THR 194.A O no hydrogen 3.094 N/A LEU 198.A N GLU 195.A O no hydrogen 3.155 N/A ASN 200.A N LEU 197.A O no hydrogen 3.218 N/A ASN 200.A ND2 LEU 197.A O no hydrogen 3.588 N/A GLY 201.A N LEU 198.A O no hydrogen 2.983 N/A ILE 205.A N GLY 201.A O no hydrogen 3.458 N/A ALA 206.A N GLU 202.A O no hydrogen 2.983 N/A SER 207.A N GLU 203.A O no hydrogen 3.029 N/A MET 208.A N TYR 204.A O no hydrogen 3.126 N/A ALA 209.A N ILE 205.A O no hydrogen 2.900 N/A ARG 210.A N ALA 206.A O no hydrogen 3.189 N/A ARG 210.A N SER 207.A O no hydrogen 3.333 N/A SER 211.A N MET 208.A O no hydrogen 3.002 N/A ILE 212.A N ALA 209.A O no hydrogen 3.090 N/A ALA 214.A N GLY 247.A O no hydrogen 2.961 N/A GLY 215.A N ILE 212.A O no hydrogen 2.769 N/A GLY 218.A N ASN 191.A O no hydrogen 3.052 N/A THR 219.A N ASP 222.A OD2 no hydrogen 2.874 N/A ASP 222.A N THR 219.A O no hydrogen 2.967 N/A ASP 222.A N THR 219.A OG1 no hydrogen 3.079 N/A GLY 224.A N PRO 220.A O no hydrogen 2.941 N/A HIS 225.A N GLU 221.A O no hydrogen 2.771 N/A LEU 226.A N ASP 222.A O no hydrogen 3.440 N/A ALA 227.A N ILE 223.A O no hydrogen 3.022 N/A ALA 228.A N GLY 224.A O no hydrogen 2.875 N/A PHE 229.A N HIS 225.A O no hydrogen 3.042 N/A LEU 230.A N LEU 226.A O no hydrogen 2.961 N/A ALA 231.A N ALA 227.A O no hydrogen 3.052 N/A THR 232.A N PHE 229.A O no hydrogen 3.005 N/A THR 232.A OG1 PHE 229.A O no hydrogen 2.666 N/A GLU 234.A N GLU 234.A OE1 no hydrogen 2.814 N/A ALA 235.A N THR 232.A O no hydrogen 3.141 N/A GLY 236.A N LYS 233.A O no hydrogen 3.215 N/A ILE 238.A N ALA 235.A O no hydrogen 3.118 N/A GLY 240.A N VAL 184.A O no hydrogen 2.703 N/A GLN 241.A N ASN 185.A OD1 no hydrogen 2.973 N/A GLN 241.A NE2 THR 239.A O no hydrogen 3.350 N/A ILE 243.A N ALA 186.A O no hydrogen 2.934 N/A VAL 245.A N MET 188.A O no hydrogen 2.974 N/A GLY 248.A N ASP 246.A OD1 no hydrogen 2.923 N/A GLN 249.A N ASP 246.A O no hydrogen 2.972 N/A GLN 249.A NE2 GLN 249.A O no hydrogen 3.256 N/A VAL 250.A N ASP 246.A OD2 no hydrogen 3.030 N/A LEU 251.A N GLY 248.A O no hydrogen 3.010 N/A ASP 256.A N SER 254.A OG no hydrogen 3.285 N/A ALA 257.A N SER 254.A O no hydrogen 2.828 N/A ILE 258.A N LEU 255.A O no hydrogen 3.142 N/A