Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3e9r_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 3.A N SER 2.A OG no hydrogen 2.620 N/A ALA 5.A N ASP 94.A OD1 no hydrogen 3.181 N/A GLU 8.A N GLU 8.A OE1 no hydrogen 2.834 N/A ASN 9.A N ASN 6.A OD1 no hydrogen 2.869 N/A ASN 9.A ND2 THR 4.A O no hydrogen 2.933 N/A VAL 10.A N ASN 6.A O no hydrogen 2.948 N/A LYS 11.A N ILE 7.A O no hydrogen 2.878 N/A LYS 12.A N GLU 8.A O no hydrogen 3.123 N/A VAL 13.A N ASN 9.A O no hydrogen 3.137 N/A ALA 14.A N VAL 10.A O no hydrogen 2.979 N/A HIS 15.A N LYS 11.A O no hydrogen 2.896 N/A HIS 16.A N LYS 12.A O no hydrogen 3.039 N/A ILE 17.A N VAL 13.A O no hydrogen 2.996 N/A GLN 18.A N ALA 14.A O no hydrogen 2.874 N/A LYS 19.A N HIS 16.A O no hydrogen 2.984 N/A LEU 20.A N ILE 17.A O no hydrogen 2.917 N/A THR 21.A N ILE 17.A O no hydrogen 3.067 N/A ILE 23.A N THR 21.A OG1 no hydrogen 3.005 N/A GLU 26.A N LYS 77.A O no hydrogen 2.984 N/A ILE 27.A N LYS 77.A O no hydrogen 3.384 N/A GLY 28.A N ILE 110.A O no hydrogen 2.855 N/A ILE 29.A N VAL 79.A O no hydrogen 2.811 N/A ILE 30.A N MET 112.A O no hydrogen 3.011 N/A CYS 31.A N MET 81.A O no hydrogen 3.337 N/A CYS 31.A SG LEU 35.A O no hydrogen 3.603 N/A CYS 31.A SG MET 81.A O no hydrogen 3.822 N/A GLY 32.A N SER 114.A OG no hydrogen 2.979 N/A LEU 35.A N GLY 32.A O no hydrogen 3.117 N/A LYS 37.A NZ GLU 269.A OE2 no hydrogen 3.316 N/A LEU 38.A N LEU 35.A O no hydrogen 3.106 N/A ASP 40.A N LYS 37.A O no hydrogen 2.875 N/A GLY 41.A N LEU 38.A O no hydrogen 2.839 N/A VAL 42.A N ALA 39.A O no hydrogen 3.408 N/A LYS 43.A N THR 72.A O no hydrogen 2.882 N/A LYS 45.A NZ ALA 39.A O no hydrogen 2.866 N/A ILE 46.A N PHE 70.A O no hydrogen 2.754 N/A ILE 48.A N LEU 68.A O no hydrogen 2.802 N/A TYR 50.A N GLY 66.A O no hydrogen 2.863 N/A TYR 50.A OH GLY 83.A O no hydrogen 2.637 N/A LYS 52.A N PRO 49.A O no hydrogen 2.943 N/A ILE 53.A N TYR 50.A O no hydrogen 3.011 N/A PHE 56.A N ILE 53.A O no hydrogen 3.068 N/A THR 59.A OG1 TYR 91.A OH no hydrogen 2.940 N/A VAL 61.A N HIS 64.A O no hydrogen 2.738 N/A HIS 64.A N VAL 61.A O no hydrogen 3.037 N/A SER 65.A OG GLY 66.A O no hydrogen 2.744 N/A GLY 66.A N THR 59.A O no hydrogen 2.843 N/A ASN 67.A N GLN 82.A O no hydrogen 2.735 N/A ASN 67.A ND2 GLN 82.A OE1 no hydrogen 3.042 N/A LEU 68.A N ILE 48.A O no hydrogen 2.718 N/A ILE 69.A N VAL 80.A O no hydrogen 2.863 N/A PHE 70.A N ILE 46.A O no hydrogen 2.926 N/A GLY 71.A N VAL 78.A O no hydrogen 3.142 N/A THR 72.A N LYS 43.A O no hydrogen 2.955 N/A LEU 73.A N ARG 76.A O no hydrogen 2.728 N/A SER 74.A OG GLU 276.A O no hydrogen 2.519 N/A SER 74.A OG GLU 280.A OE2 no hydrogen 3.539 N/A ARG 76.A N LEU 73.A O no hydrogen 2.865 N/A ARG 76.A NE GLU 26.A OE1 no hydrogen 3.219 N/A ARG 76.A NH1 PRO 283.A O no hydrogen 3.276 N/A ARG 76.A NH2 GLU 26.A OE1 no hydrogen 2.872 N/A VAL 78.A N GLY 71.A O no hydrogen 2.773 N/A VAL 79.A N ILE 27.A O no hydrogen 2.965 N/A VAL 80.A N ILE 69.A O no hydrogen 2.721 N/A MET 81.A N ILE 29.A O no hydrogen 2.759 N/A GLN 82.A N ASN 67.A O no hydrogen 2.808 N/A ARG 84.A NH1 SER 114.A O no hydrogen 2.728 N/A ARG 84.A NH2 THR 221.A OG1 no hydrogen 2.947 N/A ARG 84.A NH2 GLU 224.A OE1 no hydrogen 2.914 N/A GLU 89.A N HIS 86.A O no hydrogen 3.041 N/A GLY 90.A N MET 87.A O no hydrogen 2.942 N/A TYR 91.A OH GLN 58.A O no hydrogen 3.205 N/A TYR 91.A OH THR 59.A OG1 no hydrogen 2.940 N/A SER 92.A OG THR 95.A OG1 no hydrogen 3.187 N/A THR 95.A N SER 92.A OG no hydrogen 2.971 N/A THR 95.A OG1 SER 92.A OG no hydrogen 3.187 N/A VAL 96.A N SER 92.A O no hydrogen 3.169 N/A ALA 97.A N ASN 93.A O no hydrogen 2.959 N/A LEU 98.A N ASP 94.A O no hydrogen 2.865 N/A ARG 101.A N ALA 97.A O no hydrogen 3.065 N/A ARG 101.A NH1 ALA 5.A O no hydrogen 2.920 N/A ARG 101.A NH2 HIS 230.A ND1 no hydrogen 3.378 N/A VAL 102.A N LEU 98.A O no hydrogen 2.771 N/A MET 103.A N PRO 99.A O no hydrogen 2.976 N/A LYS 104.A N ILE 100.A O no hydrogen 3.057 N/A LYS 104.A NZ CYS 231.A O no hydrogen 2.885 N/A LEU 105.A N ARG 101.A O no hydrogen 3.175 N/A LEU 106.A N VAL 102.A O no hydrogen 2.929 N/A LEU 106.A N MET 103.A O no hydrogen 3.060 N/A GLY 107.A N MET 103.A O no hydrogen 3.159 N/A GLY 107.A N LYS 104.A O no hydrogen 3.158 N/A VAL 108.A N MET 103.A O no hydrogen 2.982 N/A LYS 109.A N GLU 26.A O no hydrogen 2.799 N/A ILE 110.A N GLU 26.A O no hydrogen 3.336 N/A LEU 111.A N GLN 234.A O no hydrogen 2.713 N/A MET 112.A N GLY 28.A O no hydrogen 2.887 N/A VAL 113.A N PHE 236.A O no hydrogen 2.871 N/A SER 114.A N ILE 30.A O no hydrogen 3.425 N/A SER 114.A OG SER 33.A O no hydrogen 2.818 N/A ASN 115.A N VAL 238.A O no hydrogen 3.079 N/A ASN 115.A ND2 THR 221.A OG1 no hydrogen 3.067 N/A ALA 117.A N LEU 240.A O no hydrogen 2.982 N/A GLY 118.A N VAL 217.A O no hydrogen 2.734 N/A GLY 119.A N ASN 243.A O no hydrogen 2.757 N/A LEU 120.A N ASP 215.A O no hydrogen 2.820 N/A ASN 121.A N ASP 215.A O no hydrogen 2.993 N/A ASN 121.A ND2 ASP 215.A OD1 no hydrogen 2.815 N/A ARG 122.A NE LEU 120.A O no hydrogen 2.897 N/A ARG 122.A NH1 SER 245.A O no hydrogen 3.263 N/A ARG 122.A NH2 GLY 119.A O no hydrogen 2.948 N/A ARG 122.A NH2 LEU 120.A O no hydrogen 3.316 N/A ARG 122.A NH2 SER 245.A O no hydrogen 2.896 N/A SER 123.A N ASN 121.A OD1 no hydrogen 2.810 N/A SER 123.A OG ASN 121.A OD1 no hydrogen 2.753 N/A LEU 124.A N ASN 121.A O no hydrogen 3.282 N/A LYS 125.A N ASP 128.A OD2 no hydrogen 2.918 N/A GLY 127.A N VAL 241.A O no hydrogen 2.754 N/A ASP 128.A N LYS 125.A O no hydrogen 3.099 N/A PHE 129.A N LEU 186.A O no hydrogen 2.768 N/A VAL 130.A N SER 239.A O no hydrogen 2.740 N/A ILE 131.A N HIS 188.A O no hydrogen 2.903 N/A LEU 132.A N ALA 237.A O no hydrogen 2.783 N/A LYS 133.A N GLY 190.A O no hydrogen 2.968 N/A HIS 135.A N ASP 134.A OD1 no hydrogen 2.814 N/A HIS 135.A ND1 TYR 166.A OH no hydrogen 2.763 N/A ILE 136.A N TYR 192.A O no hydrogen 2.817 N/A LEU 141.A N TYR 137.A O no hydrogen 2.903 N/A GLY 142.A N LEU 138.A O no hydrogen 3.082 N/A GLY 142.A N PRO 139.A O no hydrogen 3.188 N/A LEU 143.A N GLY 140.A O no hydrogen 3.418 N/A ASN 144.A N PRO 139.A O no hydrogen 2.764 N/A ILE 146.A N TYR 137.A OH no hydrogen 2.893 N/A LEU 147.A N ASN 145.A OD1 no hydrogen 2.850 N/A VAL 148.A N ASN 145.A O no hydrogen 2.959 N/A ASN 151.A ND2 GLY 156.A O no hydrogen 2.866 N/A GLN 152.A NE2 PRO 150.A O no hydrogen 3.300 N/A PHE 155.A N GLN 152.A O no hydrogen 3.001 N/A GLY 156.A N GLN 152.A O no hydrogen 3.167 N/A ARG 158.A NE ARG 158.A O no hydrogen 3.038 N/A ARG 158.A NH1 GLY 149.A O no hydrogen 2.800 N/A ARG 158.A NH2 LEU 147.A O no hydrogen 3.117 N/A ARG 158.A NH2 GLY 149.A O no hydrogen 2.981 N/A TYR 166.A OH HIS 135.A ND1 no hydrogen 2.763 N/A ASP 167.A N VAL 235.A O no hydrogen 3.244 N/A LEU 170.A N ASP 167.A OD2 no hydrogen 3.010 N/A ARG 171.A N ASP 167.A O no hydrogen 3.050 N/A ARG 171.A NE TYR 166.A O no hydrogen 2.947 N/A LYS 172.A N ARG 168.A O no hydrogen 2.934 N/A LEU 173.A N ASP 169.A O no hydrogen 3.040 N/A ALA 174.A N LEU 170.A O no hydrogen 2.969 N/A VAL 175.A N ARG 171.A O no hydrogen 3.156 N/A GLN 176.A N LYS 172.A O no hydrogen 3.027 N/A VAL 177.A N LEU 173.A O no hydrogen 2.889 N/A ALA 178.A N ALA 174.A O no hydrogen 3.034 N/A GLU 179.A N VAL 175.A O no hydrogen 2.933 N/A GLU 180.A N GLN 176.A O no hydrogen 2.889 N/A ASN 181.A N VAL 177.A O no hydrogen 3.030 N/A ASN 181.A N ALA 178.A O no hydrogen 3.219 N/A GLY 182.A N GLU 179.A O no hydrogen 3.366 N/A PHE 183.A N ALA 178.A O no hydrogen 2.977 N/A LEU 186.A N PHE 183.A O no hydrogen 3.039 N/A VAL 187.A N GLY 184.A O no hydrogen 3.146 N/A HIS 188.A N PHE 129.A O no hydrogen 2.848 N/A GLY 190.A N ILE 131.A O no hydrogen 2.973 N/A VAL 191.A N ASP 215.A OD2 no hydrogen 2.843 N/A TYR 192.A N ASP 134.A O no hydrogen 3.097 N/A TYR 192.A OH SER 220.A O no hydrogen 3.046 N/A VAL 193.A N VAL 216.A O no hydrogen 2.942 N/A MET 194.A N ILE 136.A O no hydrogen 3.161 N/A ASN 195.A N GLY 218.A O no hydrogen 2.895 N/A ASN 195.A ND2 CYS 199.A O no hydrogen 3.007 N/A ASN 195.A ND2 GLU 201.A OE2 no hydrogen 2.896 N/A GLY 197.A N ASN 195.A OD1 no hydrogen 2.907 N/A TYR 200.A OH HIS 257.A ND1 no hydrogen 3.366 N/A THR 202.A N GLU 205.A OE1 no hydrogen 2.839 N/A GLU 205.A N THR 202.A OG1 no hydrogen 2.999 N/A CYS 206.A N THR 202.A O no hydrogen 2.775 N/A CYS 206.A SG GLU 201.A O no hydrogen 3.965 N/A CYS 206.A SG THR 202.A O no hydrogen 3.346 N/A CYS 206.A SG VAL 246.A O no hydrogen 3.992 N/A THR 207.A N PRO 203.A O no hydrogen 2.926 N/A THR 207.A OG1 PRO 203.A O no hydrogen 2.982 N/A MET 208.A N ALA 204.A O no hydrogen 2.989 N/A LEU 209.A N GLU 205.A O no hydrogen 2.890 N/A LEU 210.A N CYS 206.A O no hydrogen 3.034 N/A ASN 211.A N THR 207.A O no hydrogen 3.070 N/A MET 212.A N MET 208.A O no hydrogen 2.893 N/A MET 212.A N LEU 209.A O no hydrogen 3.163 N/A GLY 213.A N LEU 210.A O no hydrogen 2.872 N/A CYS 214.A N LEU 209.A O no hydrogen 3.019 N/A CYS 214.A SG LEU 209.A O no hydrogen 3.222 N/A ASP 215.A N VAL 191.A O no hydrogen 2.879 N/A VAL 216.A N VAL 191.A O no hydrogen 3.172 N/A VAL 217.A N GLY 118.A O no hydrogen 2.966 N/A GLY 218.A N VAL 193.A O no hydrogen 3.092 N/A SER 220.A N TYR 192.A OH no hydrogen 3.031 N/A SER 220.A OG THR 221.A OG1 no hydrogen 2.863 N/A THR 221.A OG1 SER 220.A OG no hydrogen 2.863 N/A ILE 222.A N SER 220.A O no hydrogen 2.767 N/A GLU 224.A N GLU 224.A OE2 no hydrogen 2.790 N/A VAL 225.A N THR 221.A O no hydrogen 2.915 N/A VAL 226.A N ILE 222.A O no hydrogen 2.898 N/A ILE 227.A N PRO 223.A O no hydrogen 3.096 N/A ALA 228.A N GLU 224.A O no hydrogen 2.838 N/A ARG 229.A N VAL 225.A O no hydrogen 2.876 N/A ARG 229.A NH1 ILE 233.A O no hydrogen 2.869 N/A HIS 230.A N VAL 226.A O no hydrogen 2.959 N/A HIS 230.A NE2 ASN 151.A OD1 no hydrogen 2.935 N/A CYS 231.A N ILE 227.A O no hydrogen 3.221 N/A CYS 231.A SG ILE 227.A O no hydrogen 3.502 N/A CYS 231.A SG ALA 228.A O no hydrogen 3.541 N/A GLY 232.A N ARG 229.A O no hydrogen 2.941 N/A ILE 233.A N ALA 228.A O no hydrogen 2.801 N/A GLN 234.A N LYS 109.A O no hydrogen 3.037 N/A PHE 236.A N LEU 111.A O no hydrogen 2.805 N/A VAL 238.A N VAL 113.A O no hydrogen 2.951 N/A SER 239.A N VAL 130.A O no hydrogen 2.782 N/A SER 239.A OG ASN 115.A OD1 no hydrogen 2.646 N/A LEU 240.A N ASN 115.A O no hydrogen 2.893 N/A VAL 241.A N ASP 128.A O no hydrogen 2.928 N/A THR 242.A N ALA 117.A O no hydrogen 2.969 N/A THR 242.A OG1 ALA 117.A O no hydrogen 3.281 N/A SER 245.A N GLY 119.A O no hydrogen 2.992 N/A SER 245.A OG GLY 119.A O no hydrogen 3.228 N/A GLU 250.A N ASP 248.A OD2 no hydrogen 2.687 N/A SER 251.A N ASP 248.A O no hydrogen 3.253 N/A LEU 253.A N SER 251.A OG no hydrogen 3.095 N/A VAL 260.A N ASN 256.A O no hydrogen 2.955 N/A LEU 261.A N HIS 257.A O no hydrogen 2.924 N/A ALA 262.A N GLU 258.A O no hydrogen 2.940 N/A THR 263.A N GLU 259.A O no hydrogen 2.791 N/A THR 263.A OG1 GLU 259.A O no hydrogen 3.049 N/A GLY 264.A N VAL 260.A O no hydrogen 3.090 N/A ALA 265.A N LEU 261.A O no hydrogen 2.908 N/A GLN 266.A N ALA 262.A O no hydrogen 2.847 N/A ARG 267.A N THR 263.A O no hydrogen 3.257 N/A ARG 267.A NE GLY 127.A O no hydrogen 2.786 N/A ALA 268.A N ALA 265.A O no hydrogen 3.184 N/A MET 271.A N ARG 267.A O no hydrogen 2.911 N/A GLN 272.A N ALA 268.A O no hydrogen 2.958 N/A SER 273.A N GLU 269.A O no hydrogen 2.985 N/A TRP 274.A N LEU 270.A O no hydrogen 2.867 N/A TRP 274.A NE1 ALA 174.A O no hydrogen 2.956 N/A PHE 275.A N MET 271.A O no hydrogen 2.958 N/A GLU 276.A N GLN 272.A O no hydrogen 2.824 N/A LYS 277.A N SER 273.A O no hydrogen 2.823 N/A ILE 278.A N TRP 274.A O no hydrogen 2.854 N/A ILE 279.A N PHE 275.A O no hydrogen 2.934 N/A GLU 280.A N GLU 276.A O no hydrogen 3.058 N/A LYS 281.A N ILE 278.A O no hydrogen 2.998 N/A LYS 281.A NZ GLU 180.A OE2 no hydrogen 2.872 N/A LEU 282.A N ILE 279.A O no hydrogen 3.181 N/A