Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2xua_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 3.A N LEU 10.A O no hydrogen 2.988 N/A VAL 5.A N THR 8.A O no hydrogen 2.719 N/A GLU 9.A N GLU 62.A OE1 no hydrogen 2.953 N/A LEU 10.A N ALA 3.A O no hydrogen 3.043 N/A HIS 11.A N SER 61.A OG no hydrogen 2.794 N/A HIS 11.A ND1 PRO 1.A O no hydrogen 2.928 N/A TYR 12.A N PRO 1.A O no hydrogen 3.152 N/A ARG 13.A N ARG 52.A O no hydrogen 2.826 N/A ASP 15.A N VAL 50.A O no hydrogen 2.998 N/A ARG 18.A NH2 ILE 14.A O no hydrogen 2.834 N/A GLY 20.A N GLU 17.A OE2 no hydrogen 3.350 N/A ILE 25.A N ARG 49.A O no hydrogen 2.757 N/A VAL 26.A N ASN 89.A O no hydrogen 2.696 N/A LEU 27.A N LEU 51.A O no hydrogen 2.910 N/A SER 28.A N CYS 91.A O no hydrogen 2.845 N/A SER 28.A OG TYR 53.A OH no hydrogen 2.851 N/A SER 30.A OG LEU 31.A O no hydrogen 3.114 N/A GLY 32.A N HIS 58.A NE2 no hydrogen 2.894 N/A THR 33.A N SER 30.A O no hydrogen 3.289 N/A THR 33.A OG1 SER 30.A O no hydrogen 2.719 N/A LEU 35.A N ASP 54.A OD1 no hydrogen 2.967 N/A SER 36.A N ASP 34.A OD1 no hydrogen 2.933 N/A SER 36.A OG ASP 34.A OD1 no hydrogen 2.617 N/A ALA 38.A N SER 36.A O no hydrogen 2.960 N/A GLN 40.A N TRP 37.A O no hydrogen 2.850 N/A GLN 40.A NE2 TRP 37.A O no hydrogen 3.574 N/A VAL 41.A N ALA 38.A O no hydrogen 3.219 N/A LEU 44.A N GLN 40.A O no hydrogen 2.975 N/A SER 45.A N VAL 41.A O no hydrogen 2.931 N/A SER 45.A OG VAL 41.A O no hydrogen 2.814 N/A LYS 46.A N ALA 43.A O no hydrogen 3.089 N/A HIS 47.A N LEU 44.A O no hydrogen 3.020 N/A PHE 48.A N LEU 44.A O no hydrogen 2.886 N/A ARG 49.A N PRO 23.A O no hydrogen 2.871 N/A ARG 49.A NE ALA 22.A O no hydrogen 2.849 N/A ARG 49.A NH2 ALA 22.A O no hydrogen 2.786 N/A VAL 50.A N ASP 15.A O no hydrogen 2.885 N/A LEU 51.A N ILE 25.A O no hydrogen 2.819 N/A ARG 52.A N ARG 13.A O no hydrogen 2.876 N/A ARG 52.A NH1 LEU 35.A O no hydrogen 3.025 N/A ARG 52.A NH2 ASP 15.A OD2 no hydrogen 2.733 N/A TYR 53.A OH SER 28.A OG no hydrogen 2.851 N/A ASP 54.A N HIS 11.A O no hydrogen 2.808 N/A ARG 56.A NE ASP 76.A OD2 no hydrogen 2.910 N/A ARG 56.A NH2 ASP 76.A OD1 no hydrogen 3.012 N/A ARG 56.A NH2 ASP 76.A OD2 no hydrogen 3.521 N/A GLY 57.A N GLU 62.A O no hydrogen 2.789 N/A HIS 58.A N THR 55.A O no hydrogen 2.826 N/A HIS 58.A ND1 ARG 56.A O no hydrogen 3.122 N/A HIS 60.A N ASP 54.A OD2 no hydrogen 2.623 N/A SER 61.A N HIS 58.A O no hydrogen 2.868 N/A SER 61.A OG ASP 54.A O no hydrogen 2.523 N/A GLU 62.A N GLU 9.A O no hydrogen 2.740 N/A TYR 68.A N SER 178.A O no hydrogen 3.160 N/A TYR 68.A OH PRO 64.A O no hydrogen 2.692 N/A THR 69.A N GLN 72.A OE1 no hydrogen 2.958 N/A GLN 72.A N THR 69.A OG1 no hydrogen 2.994 N/A LEU 73.A N THR 69.A O no hydrogen 3.100 N/A THR 74.A N ILE 70.A O no hydrogen 2.862 N/A THR 74.A OG1 ILE 70.A O no hydrogen 2.931 N/A GLY 75.A N GLU 71.A O no hydrogen 2.884 N/A ASP 76.A N GLN 72.A O no hydrogen 2.940 N/A LEU 78.A N THR 74.A O no hydrogen 3.178 N/A GLY 79.A N GLY 75.A O no hydrogen 2.819 N/A LEU 80.A N ASP 76.A O no hydrogen 2.842 N/A THR 82.A N GLY 79.A O no hydrogen 2.856 N/A THR 82.A OG1 GLY 79.A O no hydrogen 3.008 N/A LEU 83.A N LEU 80.A O no hydrogen 2.985 N/A LYS 84.A N ASP 81.A O no hydrogen 2.776 N/A ALA 88.A N ARG 109.A O no hydrogen 2.820 N/A ASN 89.A N TRP 24.A O no hydrogen 2.906 N/A PHE 90.A N ARG 112.A O no hydrogen 3.011 N/A CYS 91.A N VAL 26.A O no hydrogen 2.852 N/A GLY 92.A N ALA 114.A O no hydrogen 3.063 N/A LEU 93.A N SER 28.A O no hydrogen 2.952 N/A SER 94.A N CYS 116.A O no hydrogen 2.800 N/A SER 94.A OG ASN 117.A O no hydrogen 3.554 N/A SER 94.A OG HIS 234.A NE2 no hydrogen 3.032 N/A LEU 97.A N SER 94.A O no hydrogen 2.873 N/A GLY 99.A N GLY 95.A O no hydrogen 3.023 N/A VAL 100.A N GLY 96.A O no hydrogen 2.808 N/A ALA 101.A N LEU 97.A O no hydrogen 3.142 N/A LEU 102.A N THR 98.A O no hydrogen 2.844 N/A ALA 103.A N GLY 99.A O no hydrogen 2.854 N/A ALA 104.A N VAL 100.A O no hydrogen 2.953 N/A ARG 105.A N ALA 101.A O no hydrogen 2.932 N/A ARG 105.A NE GLU 191.A OE1 no hydrogen 3.144 N/A ARG 105.A NE GLU 191.A OE2 no hydrogen 3.227 N/A ARG 105.A NH1 GLU 71.A OE2 no hydrogen 3.357 N/A ARG 105.A NH2 GLU 191.A OE2 no hydrogen 2.722 N/A HIS 106.A N LEU 102.A O no hydrogen 2.697 N/A ARG 109.A N HIS 106.A O no hydrogen 2.954 N/A ARG 109.A NH1 ALA 86.A O no hydrogen 3.320 N/A ARG 109.A NH2 ASP 81.A OD1 no hydrogen 2.155 N/A ILE 110.A N ALA 107.A O no hydrogen 3.242 N/A GLU 111.A N ALA 88.A O no hydrogen 2.973 N/A VAL 113.A N PRO 198.A O no hydrogen 2.906 N/A ALA 114.A N PHE 90.A O no hydrogen 2.728 N/A LEU 115.A N LEU 200.A O no hydrogen 2.651 N/A CYS 116.A N GLY 92.A O no hydrogen 2.883 N/A ASN 117.A N ILE 202.A O no hydrogen 2.652 N/A ASN 117.A ND2 SER 236.A OG no hydrogen 2.758 N/A THR 118.A OG1 SER 94.A O no hydrogen 2.676 N/A THR 118.A OG1 ALA 119.A O no hydrogen 3.546 N/A ARG 121.A NH2 ASP 184.A OD1 no hydrogen 2.807 N/A SER 124.A OG GLU 126.A OE1 no hydrogen 3.316 N/A VAL 127.A N SER 124.A O no hydrogen 2.896 N/A TRP 128.A N SER 124.A O no hydrogen 2.994 N/A TRP 128.A NE1 ILE 122.A O no hydrogen 2.821 N/A VAL 129.A N PRO 125.A O no hydrogen 3.073 N/A ARG 131.A N VAL 127.A O no hydrogen 3.387 N/A ARG 131.A NH2 TYR 176.A OH no hydrogen 3.049 N/A ALA 132.A N TRP 128.A O no hydrogen 2.970 N/A VAL 133.A N VAL 129.A O no hydrogen 3.060 N/A LYS 134.A N PRO 130.A O no hydrogen 2.841 N/A ALA 135.A N ARG 131.A O no hydrogen 2.885 N/A ARG 136.A N ALA 132.A O no hydrogen 2.885 N/A ARG 136.A NE GLU 174.A OE1 no hydrogen 3.158 N/A ARG 136.A NE GLU 174.A OE2 no hydrogen 2.758 N/A ARG 136.A NH1 GLU 174.A OE1 no hydrogen 2.838 N/A ARG 136.A NH1 GLU 181.A OE1 no hydrogen 3.086 N/A ARG 136.A NH1 GLU 181.A OE2 no hydrogen 3.520 N/A ARG 136.A NH2 GLU 181.A OE2 no hydrogen 2.709 N/A THR 137.A N VAL 133.A O no hydrogen 2.734 N/A THR 137.A OG1 VAL 133.A O no hydrogen 3.043 N/A GLU 138.A N LYS 134.A O no hydrogen 2.804 N/A GLY 139.A N ALA 135.A O no hydrogen 3.006 N/A ALA 143.A N HIS 140.A O no hydrogen 3.279 N/A VAL 146.A N LEU 142.A O no hydrogen 3.039 N/A LEU 147.A N ALA 143.A O no hydrogen 2.916 N/A ARG 149.A N VAL 146.A O no hydrogen 2.882 N/A ARG 149.A NH2 ALA 145.A O no hydrogen 3.055 N/A TRP 150.A N LEU 147.A O no hydrogen 2.945 N/A THR 152.A N GLU 239.A OE1 no hydrogen 3.025 N/A THR 152.A OG1 GLU 239.A OE2 no hydrogen 2.653 N/A TYR 155.A N THR 152.A OG1 no hydrogen 3.328 N/A ARG 157.A N ASP 154.A O no hydrogen 2.921 N/A ARG 157.A NH1 ASP 154.A OD2 no hydrogen 3.092 N/A GLU 158.A N TYR 155.A O no hydrogen 2.841 N/A LEU 162.A N GLU 158.A O no hydrogen 2.918 N/A ALA 163.A N PRO 159.A O no hydrogen 2.844 N/A ARG 165.A N LEU 162.A O no hydrogen 2.701 N/A ARG 165.A NH1 ASP 144.A OD1 no hydrogen 2.923 N/A ARG 165.A NH2 ASP 144.A OD1 no hydrogen 3.323 N/A ASP 166.A N ALA 163.A O no hydrogen 2.921 N/A PHE 168.A N ILE 164.A O no hydrogen 3.131 N/A VAL 169.A N ARG 165.A O no hydrogen 2.911 N/A HIS 170.A N ASP 166.A O no hydrogen 3.153 N/A THR 171.A N PHE 168.A O no hydrogen 3.117 N/A THR 171.A OG1 VAL 167.A O no hydrogen 2.918 N/A THR 171.A OG1 PHE 168.A O no hydrogen 3.278 N/A LYS 173.A NZ ARG 136.A O no hydrogen 2.916 N/A GLY 175.A N ASP 172.A OD2 no hydrogen 2.891 N/A TYR 176.A N ASP 172.A O no hydrogen 2.933 N/A ALA 177.A N LYS 173.A O no hydrogen 2.846 N/A SER 178.A N GLU 174.A O no hydrogen 2.853 N/A SER 178.A OG GLU 174.A O no hydrogen 2.933 N/A SER 178.A OG GLU 174.A OE1 no hydrogen 3.244 N/A ASN 179.A N GLY 175.A O no hydrogen 3.018 N/A ASN 179.A ND2 ARG 56.A O no hydrogen 2.896 N/A ASN 179.A ND2 GLY 175.A O no hydrogen 2.816 N/A CYS 180.A N TYR 176.A O no hydrogen 2.990 N/A CYS 180.A SG TYR 176.A O no hydrogen 3.535 N/A GLU 181.A N ALA 177.A O no hydrogen 2.953 N/A ALA 182.A N SER 178.A O no hydrogen 3.105 N/A ILE 183.A N ASN 179.A O no hydrogen 2.885 N/A ASP 184.A N CYS 180.A O no hydrogen 3.017 N/A ALA 185.A N GLU 181.A O no hydrogen 3.040 N/A ALA 186.A N ILE 183.A O no hydrogen 3.180 N/A LEU 188.A N ALA 120.A O no hydrogen 2.773 N/A ARG 189.A N ASP 187.A OD1 no hydrogen 2.965 N/A ARG 189.A NE ASP 187.A OD1 no hydrogen 2.949 N/A ARG 189.A NE ASP 187.A OD2 no hydrogen 3.340 N/A ARG 189.A NH2 ASP 187.A OD2 no hydrogen 2.738 N/A GLU 191.A N LEU 188.A O no hydrogen 3.096 N/A ALA 192.A N LEU 188.A O no hydrogen 3.069 N/A ALA 192.A N ARG 189.A O no hydrogen 3.370 N/A GLY 194.A N GLU 191.A O no hydrogen 3.001 N/A ILE 195.A N ALA 192.A O no hydrogen 3.074 N/A LEU 200.A N VAL 113.A O no hydrogen 2.758 N/A VAL 201.A N ARG 226.A O no hydrogen 2.758 N/A ILE 202.A N LEU 115.A O no hydrogen 2.932 N/A SER 203.A N VAL 228.A O no hydrogen 2.974 N/A THR 205.A N LEU 230.A O no hydrogen 2.966 N/A THR 205.A OG1 GLU 229.A OE2 no hydrogen 2.764 N/A THR 205.A OG1 LEU 230.A O no hydrogen 3.238 N/A HIS 206.A N ALA 232.A O no hydrogen 2.758 N/A HIS 206.A NE2 ASP 231.A OD1 no hydrogen 2.699 N/A ASP 207.A N GLY 204.A O no hydrogen 2.990 N/A ALA 209.A N ASP 207.A OD1 no hydrogen 2.849 N/A ALA 210.A N ASP 207.A OD1 no hydrogen 3.063 N/A THR 211.A N GLN 214.A OE1 no hydrogen 3.031 N/A GLN 214.A N THR 211.A OG1 no hydrogen 3.008 N/A GLY 215.A N THR 211.A O no hydrogen 3.000 N/A ARG 216.A N PRO 212.A O no hydrogen 2.804 N/A GLU 217.A N ALA 213.A O no hydrogen 2.838 N/A LEU 218.A N GLN 214.A O no hydrogen 2.962 N/A ALA 219.A N GLY 215.A O no hydrogen 2.937 N/A GLN 220.A N ARG 216.A O no hydrogen 2.863 N/A ALA 221.A N GLU 217.A O no hydrogen 3.120 N/A ALA 221.A N LEU 218.A O no hydrogen 3.229 N/A ILE 222.A N LEU 218.A O no hydrogen 3.327 N/A ILE 222.A N ALA 219.A O no hydrogen 3.293 N/A ALA 225.A N ILE 222.A O no hydrogen 3.112 N/A ARG 226.A N ALA 199.A O no hydrogen 3.150 N/A TYR 227.A OH GLU 229.A OE1 no hydrogen 2.538 N/A VAL 228.A N VAL 201.A O no hydrogen 2.860 N/A LEU 230.A N SER 203.A O no hydrogen 2.836 N/A ALA 232.A N LEU 230.A O no hydrogen 2.755 N/A SER 233.A OG ARG 149.A O no hydrogen 2.802 N/A SER 233.A OG HIS 206.A O no hydrogen 3.523 N/A HIS 234.A ND1 ASP 207.A OD2 no hydrogen 2.735 N/A ILE 235.A N TRP 150.A O no hydrogen 3.041 N/A ILE 238.A N ILE 235.A O no hydrogen 3.169 N/A GLU 239.A N ILE 235.A O no hydrogen 3.303 N/A ARG 240.A N SER 236.A O no hydrogen 2.975 N/A ARG 240.A NE ASP 231.A O no hydrogen 2.968 N/A ARG 240.A NH2 ASP 231.A OD2 no hydrogen 3.110 N/A PHE 244.A N ARG 240.A O no hydrogen 2.859 N/A THR 245.A N ALA 241.A O no hydrogen 2.852 N/A THR 245.A OG1 GLN 40.A OE1 no hydrogen 2.969 N/A THR 245.A OG1 ALA 241.A O no hydrogen 2.913 N/A LYS 246.A N ASP 242.A O no hydrogen 3.028 N/A LYS 246.A NZ ASP 250.A OD2 no hydrogen 2.825 N/A THR 247.A N ALA 243.A O no hydrogen 3.019 N/A THR 247.A OG1 ALA 243.A O no hydrogen 2.714 N/A VAL 248.A N PHE 244.A O no hydrogen 2.952 N/A VAL 249.A N THR 245.A O no hydrogen 2.970 N/A ASP 250.A N LYS 246.A O no hydrogen 2.993 N/A PHE 251.A N THR 247.A O no hydrogen 3.064 N/A LEU 252.A N VAL 248.A O no hydrogen 2.826 N/A THR 253.A N VAL 249.A O no hydrogen 2.945 N/A THR 253.A OG1 VAL 249.A O no hydrogen 2.725 N/A GLU 254.A N ASP 250.A O no hydrogen 3.214 N/A