Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2dua_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 2.A N GLN 5.A OE1 no hydrogen 3.013 N/A LYS 3.A NZ VAL 74.A O no hydrogen 2.783 N/A ASN 4.A ND2 ASP 140.A OD2 no hydrogen 2.816 N/A GLN 5.A N THR 2.A OG1 no hydrogen 2.904 N/A ALA 6.A N THR 2.A O no hydrogen 2.830 N/A LEU 7.A N LYS 3.A O no hydrogen 2.996 N/A ARG 8.A N ASN 4.A O no hydrogen 3.014 N/A ARG 8.A NE ASP 142.A O no hydrogen 3.006 N/A ARG 8.A NH1 ASP 142.A O no hydrogen 3.480 N/A ARG 8.A NH1 PHE 143.A O no hydrogen 3.059 N/A ARG 8.A NH1 ASP 174.A OD1 no hydrogen 3.389 N/A ARG 8.A NH1 ASP 174.A OD2 no hydrogen 3.289 N/A ARG 8.A NH2 ASP 174.A OD1 no hydrogen 3.026 N/A ALA 9.A N GLN 5.A O no hydrogen 2.712 N/A ALA 10.A N ALA 6.A O no hydrogen 3.068 N/A LEU 11.A N LEU 7.A O no hydrogen 2.976 N/A ASP 12.A N ARG 8.A O no hydrogen 2.796 N/A SER 13.A N ALA 9.A O no hydrogen 2.908 N/A SER 13.A OG ALA 9.A O no hydrogen 3.072 N/A SER 13.A OG ALA 10.A O no hydrogen 2.950 N/A ARG 15.A N SER 13.A OG no hydrogen 3.149 N/A PHE 17.A N GLY 223.A O no hydrogen 2.992 N/A ALA 19.A N VAL 225.A O no hydrogen 2.992 N/A MET 20.A N GLY 38.A O no hydrogen 2.976 N/A ALA 21.A N TYR 227.A O no hydrogen 3.055 N/A ALA 22.A N TRP 40.A O no hydrogen 3.151 N/A HIS 23.A ND1 GLU 45.A OE1 no hydrogen 2.802 N/A VAL 27.A N ASN 24.A OD1 no hydrogen 2.897 N/A ALA 28.A N ASN 24.A O no hydrogen 3.101 N/A LYS 29.A N PRO 25.A O no hydrogen 2.861 N/A LYS 29.A NZ LEU 268.A O no hydrogen 2.575 N/A LEU 30.A N LEU 26.A O no hydrogen 2.948 N/A ALA 31.A N VAL 27.A O no hydrogen 2.901 N/A GLU 32.A N ALA 28.A O no hydrogen 2.996 N/A GLN 33.A N LYS 29.A O no hydrogen 2.930 N/A ALA 34.A N LEU 30.A O no hydrogen 2.897 N/A GLY 35.A N ALA 31.A O no hydrogen 3.229 N/A GLY 35.A N GLU 32.A O no hydrogen 2.965 N/A PHE 36.A N ALA 31.A O no hydrogen 3.261 N/A GLY 37.A N THR 18.A OG1 no hydrogen 3.072 N/A GLY 38.A N THR 18.A O no hydrogen 2.743 N/A ILE 39.A N PRO 77.A O no hydrogen 2.911 N/A TRP 40.A N MET 20.A O no hydrogen 2.685 N/A GLY 41.A N ILE 79.A O no hydrogen 2.751 N/A SER 42.A N TRP 40.A O no hydrogen 2.859 N/A GLY 43.A N ASP 81.A OD2 no hydrogen 2.984 N/A GLU 45.A N SER 42.A OG no hydrogen 2.910 N/A LEU 46.A N SER 42.A O no hydrogen 2.997 N/A SER 47.A N GLY 43.A O no hydrogen 2.956 N/A SER 47.A OG GLY 43.A O no hydrogen 2.924 N/A SER 47.A OG PHE 44.A O no hydrogen 3.083 N/A ALA 48.A N PHE 44.A O no hydrogen 2.892 N/A SER 49.A N GLU 45.A O no hydrogen 2.976 N/A SER 49.A OG LEU 46.A O no hydrogen 2.759 N/A TYR 50.A N LEU 46.A O no hydrogen 3.201 N/A TYR 50.A N SER 47.A O no hydrogen 3.067 N/A ALA 51.A N ALA 48.A O no hydrogen 2.848 N/A VAL 52.A N SER 47.A O no hydrogen 3.092 N/A SER 59.A OG SER 61.A OG no hydrogen 3.231 N/A SER 61.A N SER 59.A OG no hydrogen 3.336 N/A SER 61.A OG SER 59.A OG no hydrogen 3.231 N/A THR 62.A N SER 59.A O no hydrogen 3.185 N/A HIS 63.A N SER 59.A O no hydrogen 3.482 N/A HIS 63.A ND1 TYR 99.A OH no hydrogen 2.823 N/A HIS 63.A NE2 GLY 41.A O no hydrogen 2.883 N/A LEU 64.A N MET 60.A O no hydrogen 2.836 N/A GLU 65.A N SER 61.A O no hydrogen 2.870 N/A MET 66.A N THR 62.A O no hydrogen 3.230 N/A MET 67.A N HIS 63.A O no hydrogen 2.919 N/A ARG 68.A N LEU 64.A O no hydrogen 2.978 N/A ARG 68.A NE GLU 65.A OE1 no hydrogen 2.806 N/A ARG 68.A NH2 GLU 65.A OE2 no hydrogen 2.810 N/A ALA 69.A N GLU 65.A O no hydrogen 2.969 N/A ILE 70.A N MET 66.A O no hydrogen 2.902 N/A ALA 71.A N MET 67.A O no hydrogen 2.858 N/A SER 72.A N ARG 68.A O no hydrogen 3.054 N/A SER 72.A OG ARG 68.A O no hydrogen 3.216 N/A SER 72.A OG ALA 69.A O no hydrogen 2.968 N/A THR 73.A N ILE 70.A O no hydrogen 3.011 N/A THR 73.A OG1 ALA 69.A O no hydrogen 2.867 N/A VAL 74.A N ILE 70.A O no hydrogen 3.144 N/A SER 75.A N GLU 32.A OE1 no hydrogen 2.831 N/A SER 75.A OG GLU 32.A OE2 no hydrogen 2.585 N/A ILE 79.A N ILE 39.A O no hydrogen 2.807 N/A ALA 80.A N ALA 106.A O no hydrogen 2.774 N/A ASP 81.A N GLY 41.A O no hydrogen 3.228 N/A ILE 82.A N VAL 108.A O no hydrogen 2.921 N/A ASP 83.A N ASP 81.A OD1 no hydrogen 2.973 N/A GLY 85.A N ILE 82.A O no hydrogen 2.864 N/A ASN 91.A N ASN 88.A OD1 no hydrogen 3.259 N/A ASN 91.A ND2 ASN 88.A OD1 no hydrogen 3.158 N/A VAL 92.A N ASN 88.A O no hydrogen 2.944 N/A HIS 93.A N ALA 89.A O no hydrogen 2.998 N/A TYR 94.A N VAL 90.A O no hydrogen 3.268 N/A VAL 95.A N ASN 91.A O no hydrogen 2.934 N/A VAL 95.A N VAL 92.A O no hydrogen 3.279 N/A VAL 96.A N VAL 92.A O no hydrogen 2.976 N/A GLN 98.A N VAL 95.A O no hydrogen 2.971 N/A TYR 99.A N VAL 95.A O no hydrogen 3.140 N/A TYR 99.A OH HIS 63.A ND1 no hydrogen 2.823 N/A GLU 100.A N VAL 96.A O no hydrogen 2.937 N/A ALA 101.A N PRO 97.A O no hydrogen 2.802 N/A ALA 102.A N GLN 98.A O no hydrogen 2.947 N/A GLY 103.A N GLU 100.A O no hydrogen 3.070 N/A ALA 104.A N TYR 99.A O no hydrogen 3.198 N/A SER 105.A N LEU 78.A O no hydrogen 2.784 N/A SER 105.A OG ASN 4.A OD1 no hydrogen 2.748 N/A ALA 106.A N LEU 78.A O no hydrogen 3.286 N/A ILE 107.A N VAL 144.A O no hydrogen 3.055 N/A VAL 108.A N ALA 80.A O no hydrogen 2.806 N/A MET 109.A N ILE 146.A O no hydrogen 3.117 N/A GLU 110.A N ASP 83.A O no hydrogen 2.822 N/A ASP 111.A N ARG 148.A O no hydrogen 3.223 N/A LYS 112.A NZ GLU 150.A OE1 no hydrogen 3.425 N/A THR 113.A N GLU 120.A O no hydrogen 3.047 N/A THR 113.A OG1 GLN 119.A O no hydrogen 3.271 N/A THR 113.A OG1 GLU 120.A O no hydrogen 3.513 N/A THR 118.A N ASP 117.A OD2 no hydrogen 3.069 N/A VAL 122.A N ASP 111.A O no hydrogen 2.913 N/A ARG 123.A NH2 GLU 125.A OE1 no hydrogen 3.027 N/A PHE 127.A N ARG 123.A O no hydrogen 3.056 N/A GLN 128.A N ILE 124.A O no hydrogen 2.973 N/A GLY 129.A N GLU 125.A O no hydrogen 3.033 N/A LYS 130.A N GLU 126.A O no hydrogen 3.064 N/A LYS 130.A NZ THR 84.A O no hydrogen 2.699 N/A LYS 130.A NZ GLY 87.A O no hydrogen 3.116 N/A ILE 131.A N PHE 127.A O no hydrogen 2.849 N/A ALA 132.A N GLN 128.A O no hydrogen 2.979 N/A ALA 133.A N GLY 129.A O no hydrogen 2.867 N/A ALA 134.A N LYS 130.A O no hydrogen 2.948 N/A THR 135.A N ILE 131.A O no hydrogen 2.881 N/A THR 135.A OG1 ILE 131.A O no hydrogen 3.419 N/A THR 135.A OG1 ALA 132.A O no hydrogen 3.195 N/A ALA 136.A N ALA 132.A O no hydrogen 2.856 N/A ALA 137.A N ALA 133.A O no hydrogen 2.942 N/A ARG 138.A N ALA 134.A O no hydrogen 3.165 N/A ARG 138.A NH1 PHE 143.A O no hydrogen 2.936 N/A ARG 138.A NH1 ASP 174.A OD2 no hydrogen 2.804 N/A ALA 139.A N GLU 100.A OE1 no hydrogen 2.764 N/A ASP 140.A N GLU 100.A OE2 no hydrogen 2.719 N/A ARG 141.A NH2 ARG 138.A O no hydrogen 2.877 N/A ASP 142.A N ASP 140.A OD1 no hydrogen 2.758 N/A PHE 143.A N ASP 140.A O no hydrogen 2.868 N/A VAL 144.A N SER 105.A O no hydrogen 2.896 N/A VAL 145.A N ASP 174.A OD2 no hydrogen 2.907 N/A ILE 146.A N ILE 107.A O no hydrogen 2.905 N/A ALA 147.A N ALA 175.A O no hydrogen 3.093 N/A ARG 148.A N MET 109.A O no hydrogen 2.826 N/A ARG 148.A NE GLU 150.A OE2 no hydrogen 2.796 N/A ARG 148.A NH2 GLU 150.A OE2 no hydrogen 3.532 N/A VAL 149.A N LEU 177.A O no hydrogen 2.842 N/A GLU 150.A N ASP 111.A OD1 no hydrogen 2.962 N/A ALA 154.A N GLU 150.A O no hydrogen 2.916 N/A GLY 155.A N LEU 152.A O no hydrogen 2.909 N/A LEU 156.A N ALA 151.A O no hydrogen 2.889 N/A ALA 161.A N GLY 157.A O no hydrogen 3.203 N/A VAL 162.A N GLN 158.A O no hydrogen 2.916 N/A ARG 163.A N GLN 159.A O no hydrogen 3.075 N/A ARG 163.A NH1 GLU 160.A OE1 no hydrogen 2.904 N/A ARG 164.A N GLU 160.A O no hydrogen 2.932 N/A ARG 164.A NE GLU 160.A OE2 no hydrogen 2.674 N/A ARG 164.A NH1 VAL 122.A O no hydrogen 2.793 N/A ARG 164.A NH1 TYR 168.A OH no hydrogen 2.944 N/A ARG 164.A NH2 VAL 122.A O no hydrogen 3.161 N/A GLY 165.A N ALA 161.A O no hydrogen 2.963 N/A GLN 166.A N VAL 162.A O no hydrogen 2.826 N/A ALA 167.A N ARG 163.A O no hydrogen 2.988 N/A TYR 168.A N ARG 164.A O no hydrogen 2.812 N/A TYR 168.A OH ASP 111.A OD2 no hydrogen 2.578 N/A GLU 169.A N GLY 165.A O no hydrogen 2.949 N/A GLU 170.A N GLN 166.A O no hydrogen 2.972 N/A ALA 171.A N ALA 167.A O no hydrogen 2.995 N/A GLY 172.A N GLU 169.A O no hydrogen 2.904 N/A ALA 173.A N TYR 168.A O no hydrogen 3.020 N/A ASP 174.A N VAL 145.A O no hydrogen 2.878 N/A ILE 176.A N PRO 200.A O no hydrogen 3.019 N/A LEU 177.A N ALA 147.A O no hydrogen 2.832 N/A ILE 178.A N VAL 202.A O no hydrogen 3.177 N/A SER 180.A OG GLU 187.A OE1 no hydrogen 2.451 N/A SER 180.A OG TYR 208.A OH no hydrogen 2.990 N/A GLN 182.A N SER 180.A OG no hydrogen 3.229 N/A GLN 182.A NE2 GLU 187.A OE1 no hydrogen 3.072 N/A LEU 189.A N PRO 185.A O no hydrogen 3.006 N/A ALA 190.A N ASP 186.A O no hydrogen 2.940 N/A PHE 191.A N GLU 187.A O no hydrogen 3.033 N/A VAL 192.A N ILE 188.A O no hydrogen 2.955 N/A LYS 193.A N LEU 189.A O no hydrogen 2.965 N/A SER 194.A N ALA 190.A O no hydrogen 3.121 N/A SER 194.A OG ALA 190.A O no hydrogen 3.444 N/A SER 194.A OG PHE 191.A O no hydrogen 2.913 N/A TRP 195.A N PHE 191.A O no hydrogen 2.843 N/A TRP 195.A N VAL 192.A O no hydrogen 3.248 N/A TRP 195.A NE1 VAL 199.A O no hydrogen 3.266 N/A LYS 198.A N GLU 169.A OE2 no hydrogen 2.900 N/A VAL 199.A N GLU 169.A OE2 no hydrogen 3.365 N/A LEU 201.A N LYS 221.A O no hydrogen 2.747 N/A VAL 202.A N ILE 176.A O no hydrogen 2.747 N/A LEU 203.A N ILE 224.A O no hydrogen 3.028 N/A THR 206.A N VAL 204.A O no hydrogen 2.904 N/A TYR 208.A N PRO 205.A O no hydrogen 3.088 N/A TYR 208.A OH SER 180.A OG no hydrogen 2.990 N/A TYR 208.A OH GLN 182.A O no hydrogen 2.667 N/A LEU 211.A N TYR 208.A O no hydrogen 3.078 N/A THR 212.A N ASP 215.A OD2 no hydrogen 3.145 N/A ASP 215.A N THR 212.A OG1 no hydrogen 3.073 N/A ILE 216.A N THR 212.A O no hydrogen 2.849 N/A ALA 217.A N GLU 213.A O no hydrogen 2.684 N/A ALA 218.A N ALA 214.A O no hydrogen 3.175 N/A LEU 219.A N ILE 216.A O no hydrogen 2.751 N/A LYS 221.A NZ VAL 192.A O no hydrogen 2.901 N/A LYS 221.A NZ LYS 193.A O no hydrogen 2.621 N/A LYS 221.A NZ TRP 195.A O no hydrogen 2.728 N/A VAL 222.A N LEU 219.A O no hydrogen 2.979 N/A GLY 223.A N LEU 201.A O no hydrogen 2.793 N/A ILE 224.A N LEU 201.A O no hydrogen 3.356 N/A VAL 225.A N PHE 17.A O no hydrogen 2.848 N/A ILE 226.A N LEU 203.A O no hydrogen 2.839 N/A TYR 227.A N ALA 19.A O no hydrogen 2.879 N/A TYR 227.A OH GLU 213.A OE1 no hydrogen 2.406 N/A ILE 232.A N GLU 45.A OE2 no hydrogen 2.736 N/A ARG 233.A N ASN 229.A O no hydrogen 3.288 N/A ALA 234.A N HIS 230.A O no hydrogen 2.921 N/A ALA 235.A N ALA 231.A O no hydrogen 2.960 N/A VAL 236.A N ILE 232.A O no hydrogen 2.911 N/A GLY 237.A N ARG 233.A O no hydrogen 3.015 N/A ALA 238.A N ALA 234.A O no hydrogen 3.131 N/A VAL 239.A N ALA 235.A O no hydrogen 2.930 N/A ARG 240.A N VAL 236.A O no hydrogen 2.923 N/A GLU 241.A N GLY 237.A O no hydrogen 3.063 N/A VAL 242.A N ALA 238.A O no hydrogen 2.932 N/A PHE 243.A N VAL 239.A O no hydrogen 2.867 N/A ALA 244.A N ARG 240.A O no hydrogen 3.119 N/A ARG 245.A N GLU 241.A O no hydrogen 3.059 N/A ILE 246.A N VAL 242.A O no hydrogen 2.948 N/A ARG 247.A N PHE 243.A O no hydrogen 3.067 N/A ARG 248.A N ALA 244.A O no hydrogen 2.918 N/A ASP 249.A N ARG 245.A O no hydrogen 2.856 N/A GLY 251.A N ILE 246.A O no hydrogen 2.985 N/A ASP 256.A N ILE 252.A O no hydrogen 3.007 N/A SER 261.A N GLU 264.A OE1 no hydrogen 2.904 N/A GLU 264.A N SER 261.A O no hydrogen 3.087 N/A GLU 264.A N SER 261.A OG no hydrogen 3.119 N/A ILE 265.A N SER 261.A O no hydrogen 3.394 N/A ILE 266.A N VAL 262.A O no hydrogen 2.983 N/A GLU 267.A N LYS 263.A O no hydrogen 3.065 N/A LEU 268.A N GLU 264.A O no hydrogen 3.123 N/A GLN 269.A N ILE 265.A O no hydrogen 2.994 N/A GLN 269.A N ILE 266.A O no hydrogen 3.254 N/A GLY 270.A N GLU 267.A O no hydrogen 2.934 N/A ASP 271.A N ILE 266.A O no hydrogen 3.338 N/A MET 274.A N GLY 270.A O no hydrogen 3.162 N/A ARG 275.A N ASP 271.A O no hydrogen 2.703 N/A ARG 275.A NE ASP 271.A OD2 no hydrogen 3.403 N/A ALA 276.A N GLU 272.A O no hydrogen 3.046 N/A VAL 277.A N ARG 273.A O no hydrogen 3.015 N/A GLU 278.A N MET 274.A O no hydrogen 2.901 N/A ALA 279.A N ARG 275.A O no hydrogen 2.976 N/A ARG 280.A N ALA 276.A O no hydrogen 2.868 N/A TYR 281.A N VAL 277.A O no hydrogen 2.786 N/A LEU 282.A N GLU 278.A O no hydrogen 3.113 N/A