Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2bdw_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 2.A OG1 ASP 6.A OD2 no hydrogen 2.670 N/A LYS 3.A NZ ASP 72.A OD2 no hydrogen 2.923 N/A PHE 4.A N GLU 76.A OE2 no hydrogen 3.214 N/A SER 5.A N GLU 76.A OE2 no hydrogen 3.140 N/A SER 5.A OG GLU 76.A OE1 no hydrogen 3.005 N/A SER 5.A OG GLU 76.A OE2 no hydrogen 3.430 N/A ASP 6.A N THR 2.A O no hydrogen 3.219 N/A ASN 7.A N PHE 4.A O no hydrogen 3.095 N/A ASN 7.A ND2 LYS 3.A O no hydrogen 2.604 N/A TYR 8.A N PHE 4.A O no hydrogen 2.788 N/A TYR 8.A OH HIS 71.A ND1 no hydrogen 3.081 N/A ASP 9.A N VAL 26.A O no hydrogen 2.934 N/A LYS 11.A N ARG 24.A O no hydrogen 2.648 N/A GLU 12.A N GLU 12.A OE1 no hydrogen 2.806 N/A LEU 14.A N VAL 22.A O no hydrogen 2.572 N/A GLY 15.A N VAL 22.A O no hydrogen 3.426 N/A LYS 16.A NZ GLU 13.A OE2 no hydrogen 2.658 N/A GLY 17.A N SER 20.A O no hydrogen 2.829 N/A VAL 21.A N ILE 38.A O no hydrogen 3.286 N/A VAL 22.A N GLY 15.A O no hydrogen 2.983 N/A ARG 23.A N ALA 36.A O no hydrogen 2.910 N/A ARG 23.A NE LYS 11.A O no hydrogen 2.800 N/A ARG 23.A NH2 LYS 11.A O no hydrogen 2.578 N/A ARG 24.A N GLU 12.A O no hydrogen 2.895 N/A ARG 24.A NE GLU 12.A OE1 no hydrogen 3.077 N/A ARG 24.A NH2 GLU 12.A OE1 no hydrogen 3.319 N/A CYS 25.A N PHE 34.A O no hydrogen 2.926 N/A VAL 26.A N ASP 9.A O no hydrogen 2.921 N/A HIS 27.A N LEU 32.A O no hydrogen 2.799 N/A LYS 28.A N ASN 7.A O no hydrogen 2.824 N/A LYS 28.A NZ SER 5.A O no hydrogen 3.114 N/A LYS 28.A NZ ASP 6.A O no hydrogen 3.270 N/A GLY 31.A N HIS 27.A O no hydrogen 2.731 N/A LEU 32.A N THR 30.A OG1 no hydrogen 3.178 N/A PHE 34.A N CYS 25.A O no hydrogen 2.840 N/A ALA 35.A N PHE 84.A O no hydrogen 2.900 N/A ALA 36.A N ARG 23.A O no hydrogen 2.766 N/A LYS 37.A N LEU 82.A O no hydrogen 2.894 N/A LYS 37.A NZ GLU 55.A OE1 no hydrogen 2.718 N/A ILE 38.A N VAL 21.A O no hydrogen 2.849 N/A ILE 39.A N HIS 80.A O no hydrogen 2.941 N/A THR 41.A N SER 78.A O no hydrogen 2.803 N/A THR 41.A OG1 SER 78.A O no hydrogen 2.786 N/A LYS 43.A N ASN 40.A OD1 no hydrogen 2.858 N/A LEU 44.A N ASN 40.A O no hydrogen 3.315 N/A ASP 48.A N SER 45.A OG no hydrogen 3.275 N/A PHE 49.A N SER 45.A O no hydrogen 3.009 N/A GLN 50.A N ALA 46.A O no hydrogen 3.095 N/A LYS 51.A N ARG 47.A O no hydrogen 3.220 N/A LEU 52.A N ASP 48.A O no hydrogen 2.901 N/A GLU 53.A N PHE 49.A O no hydrogen 3.003 N/A ARG 54.A N GLN 50.A O no hydrogen 3.125 N/A GLU 55.A N LYS 51.A O no hydrogen 2.931 N/A ALA 56.A N LEU 52.A O no hydrogen 2.915 N/A ARG 57.A N GLU 53.A O no hydrogen 3.122 N/A ARG 57.A NE GLU 157.A OE1 no hydrogen 3.316 N/A ARG 57.A NE GLU 157.A OE2 no hydrogen 2.967 N/A ARG 57.A NH2 GLU 157.A OE1 no hydrogen 2.876 N/A ILE 58.A N ARG 54.A O no hydrogen 2.965 N/A CYS 59.A N GLU 55.A O no hydrogen 2.862 N/A CYS 59.A SG GLU 55.A O no hydrogen 3.369 N/A ARG 60.A N ALA 56.A O no hydrogen 2.986 N/A LYS 61.A N ARG 57.A O no hydrogen 3.303 N/A LYS 61.A N ILE 58.A O no hydrogen 3.065 N/A LYS 61.A NZ GLU 157.A OE2 no hydrogen 2.752 N/A LEU 62.A N ILE 58.A O no hydrogen 3.206 N/A LEU 62.A N CYS 59.A O no hydrogen 3.191 N/A GLN 63.A N LYS 61.A O no hydrogen 3.132 N/A GLN 63.A NE2 CYS 59.A O no hydrogen 3.472 N/A GLN 63.A NE2 ARG 60.A O no hydrogen 3.316 N/A GLN 63.A NE2 LEU 70.A O no hydrogen 3.465 N/A HIS 64.A NE2 ASN 66.A OD1 no hydrogen 3.203 N/A ASN 66.A ND2 GLN 113.A OE1 no hydrogen 3.345 N/A ASN 66.A ND2 VAL 147.A O no hydrogen 2.996 N/A ILE 67.A N HIS 64.A O no hydrogen 3.182 N/A VAL 68.A N LEU 149.A O no hydrogen 3.013 N/A ARG 69.A N ASP 85.A OD1 no hydrogen 2.950 N/A ARG 69.A NE GLN 63.A OE1 no hydrogen 3.158 N/A ARG 69.A NH2 GLN 63.A OE1 no hydrogen 2.973 N/A HIS 71.A N VAL 83.A O no hydrogen 2.346 N/A ASP 72.A N VAL 83.A O no hydrogen 3.321 N/A SER 73.A N ASP 72.A OD1 no hydrogen 2.677 N/A SER 73.A OG HIS 80.A NE2 no hydrogen 2.574 N/A ILE 74.A N TYR 81.A O no hydrogen 2.855 N/A GLN 75.A NE2 THR 41.A OG1 no hydrogen 3.223 N/A GLN 75.A NE2 GLU 76.A O no hydrogen 2.904 N/A GLU 76.A N PHE 79.A O no hydrogen 2.751 N/A HIS 80.A N ILE 39.A O no hydrogen 2.725 N/A HIS 80.A ND1 GLN 75.A OE1 no hydrogen 2.691 N/A HIS 80.A NE2 SER 73.A OG no hydrogen 2.574 N/A TYR 81.A N ILE 74.A O no hydrogen 2.626 N/A LEU 82.A N LYS 37.A O no hydrogen 3.013 N/A VAL 83.A N ASP 72.A O no hydrogen 2.881 N/A PHE 84.A N ALA 35.A O no hydrogen 2.804 N/A ASP 85.A N ARG 69.A O no hydrogen 2.817 N/A THR 88.A N ALA 139.A O no hydrogen 3.038 N/A GLY 89.A N LEU 138.A O no hydrogen 2.871 N/A LEU 92.A N LEU 136.A O no hydrogen 2.932 N/A GLU 94.A N GLU 91.A O no hydrogen 3.198 N/A ASP 95.A N GLU 91.A O no hydrogen 3.183 N/A ILE 96.A N LEU 92.A O no hydrogen 2.962 N/A ALA 98.A N ASP 95.A O no hydrogen 3.085 N/A ARG 99.A N ILE 96.A O no hydrogen 3.071 N/A ARG 99.A NE ASP 95.A OD1 no hydrogen 2.937 N/A ARG 99.A NH2 ASP 95.A OD1 no hydrogen 2.847 N/A TYR 102.A N HIS 276.A ND1 no hydrogen 2.954 N/A TYR 102.A OH LEU 200.A O no hydrogen 2.719 N/A SER 103.A N ASP 106.A OD2 no hydrogen 2.844 N/A SER 103.A OG ASP 106.A OD2 no hydrogen 3.348 N/A ALA 105.A N SER 273.A O no hydrogen 3.129 N/A ALA 107.A N SER 103.A O no hydrogen 3.001 N/A SER 108.A N GLU 104.A O no hydrogen 2.717 N/A SER 108.A OG TRP 264.A O no hydrogen 2.758 N/A HIS 109.A N ALA 105.A O no hydrogen 3.038 N/A CYS 110.A N ASP 106.A O no hydrogen 3.062 N/A CYS 110.A SG ASP 106.A O no hydrogen 3.424 N/A ILE 111.A N ALA 107.A O no hydrogen 2.944 N/A GLN 112.A N SER 108.A O no hydrogen 2.866 N/A GLN 113.A N HIS 109.A O no hydrogen 3.303 N/A GLN 113.A NE2 HIS 109.A O no hydrogen 3.423 N/A ILE 114.A N CYS 110.A O no hydrogen 3.163 N/A LEU 115.A N ILE 111.A O no hydrogen 2.825 N/A GLU 116.A N GLN 112.A O no hydrogen 2.934 N/A SER 117.A N GLN 113.A O no hydrogen 3.083 N/A SER 117.A OG ILE 114.A O no hydrogen 2.622 N/A ILE 118.A N ILE 114.A O no hydrogen 2.971 N/A ALA 119.A N LEU 115.A O no hydrogen 2.783 N/A TYR 120.A N GLU 116.A O no hydrogen 3.073 N/A CYS 121.A N SER 117.A O no hydrogen 3.020 N/A CYS 121.A SG SER 117.A O no hydrogen 3.383 N/A HIS 122.A N ILE 118.A O no hydrogen 2.878 N/A HIS 122.A NE2 ASP 189.A OD1 no hydrogen 2.860 N/A SER 123.A N ALA 119.A O no hydrogen 2.875 N/A SER 123.A OG ALA 119.A O no hydrogen 3.447 N/A SER 123.A OG TYR 120.A O no hydrogen 2.734 N/A ASN 124.A N TYR 120.A O no hydrogen 3.167 N/A ASN 124.A N CYS 121.A O no hydrogen 2.963 N/A ASN 124.A ND2 TYR 120.A O no hydrogen 2.998 N/A GLY 125.A N HIS 122.A O no hydrogen 2.916 N/A ILE 126.A N CYS 121.A O no hydrogen 2.957 N/A VAL 127.A N ILE 156.A O no hydrogen 3.033 N/A HIS 128.A N ASP 189.A OD1 no hydrogen 2.909 N/A HIS 128.A NE2 ALA 150.A O no hydrogen 2.962 N/A ARG 129.A N ASP 189.A OD2 no hydrogen 2.943 N/A ARG 129.A NE LEU 154.A O no hydrogen 2.733 N/A ARG 129.A NH1 HIS 165.A O no hydrogen 3.223 N/A ARG 129.A NH1 TYR 184.A OH no hydrogen 3.016 N/A ARG 129.A NH2 LEU 154.A O no hydrogen 2.851 N/A ASN 130.A N HIS 128.A ND1 no hydrogen 2.898 N/A LYS 132.A NZ THR 170.A OG1 no hydrogen 3.028 N/A GLU 134.A N GLU 134.A OE1 no hydrogen 2.660 N/A ASN 135.A N LYS 132.A O no hydrogen 2.888 N/A ASN 135.A ND2 ASN 130.A O no hydrogen 2.844 N/A ASN 135.A ND2 ASN 130.A OD1 no hydrogen 3.630 N/A LEU 136.A N PRO 133.A O no hydrogen 3.039 N/A LEU 137.A N LYS 148.A O no hydrogen 2.930 N/A LEU 138.A N GLY 90.A O no hydrogen 2.923 N/A ALA 139.A N ALA 146.A O no hydrogen 2.849 N/A LYS 141.A NZ GLY 89.A O no hydrogen 3.505 N/A ALA 142.A N SER 140.A OG no hydrogen 3.265 N/A ALA 145.A N ALA 142.A O no hydrogen 3.095 N/A VAL 147.A N GLN 113.A OE1 no hydrogen 2.893 N/A LYS 148.A N LEU 137.A O no hydrogen 2.608 N/A LYS 148.A NZ PRO 65.A O no hydrogen 2.844 N/A LYS 148.A NZ ILE 67.A O no hydrogen 3.187 N/A LYS 148.A NZ ASP 85.A OD1 no hydrogen 3.007 N/A LEU 149.A N ASN 66.A O no hydrogen 2.864 N/A ALA 150.A N ASN 135.A O no hydrogen 2.929 N/A GLY 153.A N ASP 151.A OD1 no hydrogen 3.035 N/A ALA 155.A N PHE 152.A O no hydrogen 3.107 N/A ILE 156.A N VAL 127.A O no hydrogen 3.089 N/A ASN 159.A N GLY 125.A O no hydrogen 2.948 N/A SER 161.A N VAL 158.A O no hydrogen 2.899 N/A SER 161.A OG VAL 158.A O no hydrogen 2.778 N/A TRP 164.A NE1 VAL 178.A O no hydrogen 2.984 N/A TYR 173.A N THR 170.A O no hydrogen 3.147 N/A GLU 177.A N GLU 177.A OE2 no hydrogen 2.720 N/A LEU 179.A N SER 175.A O no hydrogen 3.266 N/A LYS 180.A N PRO 176.A O no hydrogen 2.873 N/A LYS 181.A N VAL 178.A O no hydrogen 3.177 N/A ASP 182.A N GLU 177.A O no hydrogen 2.921 N/A TYR 184.A N ALA 163.A O no hydrogen 3.043 N/A TYR 184.A OH GLY 166.A O no hydrogen 2.823 N/A LYS 186.A NZ HIS 122.A O no hydrogen 3.177 N/A VAL 188.A N SER 185.A O no hydrogen 3.093 N/A ASP 189.A N LYS 186.A O no hydrogen 2.989 N/A TRP 191.A N PRO 187.A O no hydrogen 3.148 N/A ALA 192.A N VAL 188.A O no hydrogen 3.152 N/A CYS 193.A N ASP 189.A O no hydrogen 2.905 N/A CYS 193.A SG ASP 189.A O no hydrogen 3.342 N/A GLY 194.A N ILE 190.A O no hydrogen 2.936 N/A VAL 195.A N TRP 191.A O no hydrogen 3.112 N/A ILE 196.A N ALA 192.A O no hydrogen 2.920 N/A LEU 197.A N CYS 193.A O no hydrogen 2.865 N/A TYR 198.A N GLY 194.A O no hydrogen 3.009 N/A TYR 198.A OH ASP 225.A O no hydrogen 2.688 N/A ILE 199.A N VAL 195.A O no hydrogen 3.106 N/A LEU 200.A N ILE 196.A O no hydrogen 2.867 N/A LEU 201.A N LEU 197.A O no hydrogen 3.109 N/A LEU 201.A N TYR 198.A O no hydrogen 3.139 N/A VAL 202.A N TYR 198.A O no hydrogen 3.228 N/A GLY 203.A N ILE 199.A O no hydrogen 2.708 N/A TYR 204.A OH GLU 230.A OE2 no hydrogen 2.711 N/A TRP 208.A N GLN 218.A OE1 no hydrogen 2.915 N/A ASP 211.A N ASP 209.A OD2 no hydrogen 2.821 N/A ARG 214.A N ASP 211.A OD1 no hydrogen 3.180 N/A LEU 215.A N ASP 211.A O no hydrogen 2.895 N/A TYR 216.A N GLN 212.A O no hydrogen 3.057 N/A ALA 217.A N HIS 213.A O no hydrogen 3.026 N/A GLN 218.A N ARG 214.A O no hydrogen 2.889 N/A ILE 219.A N LEU 215.A O no hydrogen 2.943 N/A LYS 220.A N TYR 216.A O no hydrogen 2.896 N/A ALA 221.A N ALA 217.A O no hydrogen 3.050 N/A GLY 222.A N ILE 219.A O no hydrogen 2.849 N/A ALA 223.A N GLN 218.A O no hydrogen 3.023 N/A TYR 224.A OH ASP 243.A OD1 no hydrogen 2.643 N/A TYR 226.A OH LYS 239.A O no hydrogen 3.141 N/A TYR 226.A OH ASP 243.A OD1 no hydrogen 2.783 N/A SER 228.A OG ASP 232.A OD1 no hydrogen 2.947 N/A SER 228.A OG ASP 232.A OD2 no hydrogen 3.459 N/A GLU 230.A N GLU 230.A OE1 no hydrogen 2.750 N/A TRP 231.A N PRO 227.A O no hydrogen 3.199 N/A TRP 231.A NE1 TYR 204.A OH no hydrogen 3.068 N/A ASP 232.A N PRO 229.A O no hydrogen 2.968 N/A THR 233.A OG1 GLU 230.A O no hydrogen 3.355 N/A VAL 234.A N TRP 231.A O no hydrogen 3.120 N/A THR 235.A N GLU 104.A OE2 no hydrogen 2.836 N/A THR 235.A OG1 GLU 104.A OE1 no hydrogen 2.897 N/A ALA 238.A N THR 235.A O no hydrogen 3.170 N/A ALA 238.A N THR 235.A OG1 no hydrogen 3.276 N/A LYS 239.A N THR 235.A O no hydrogen 3.308 N/A LYS 239.A NZ TRP 231.A O no hydrogen 3.407 N/A SER 240.A N PRO 236.A O no hydrogen 2.802 N/A LEU 241.A N GLU 237.A O no hydrogen 3.031 N/A ILE 242.A N ALA 238.A O no hydrogen 3.042 N/A ASP 243.A N LYS 239.A O no hydrogen 2.837 N/A SER 244.A N SER 240.A O no hydrogen 2.982 N/A SER 244.A OG LEU 241.A O no hydrogen 2.619 N/A MET 245.A N LEU 241.A O no hydrogen 3.231 N/A MET 245.A N ILE 242.A O no hydrogen 2.935 N/A LEU 246.A N ILE 242.A O no hydrogen 2.825 N/A THR 247.A OG1 ASP 243.A O no hydrogen 2.994 N/A THR 247.A OG1 SER 244.A O no hydrogen 3.496 N/A LYS 251.A N ASN 249.A OD1 no hydrogen 2.966 N/A LYS 252.A N ASN 249.A O no hydrogen 2.956 N/A ARG 253.A N PRO 250.A O no hydrogen 3.257 N/A ARG 253.A NE THR 247.A O no hydrogen 2.898 N/A ARG 253.A NH1 GLU 177.A OE1 no hydrogen 2.732 N/A ARG 253.A NH1 PRO 187.A O no hydrogen 2.888 N/A ARG 253.A NH2 GLU 177.A OE1 no hydrogen 3.522 N/A ARG 253.A NH2 GLU 177.A OE2 no hydrogen 2.904 N/A ARG 253.A NH2 THR 247.A O no hydrogen 2.922 N/A ARG 253.A NH2 VAL 248.A O no hydrogen 3.093 N/A ILE 254.A N SER 244.A O no hydrogen 3.053 N/A GLN 258.A N THR 255.A OG1 no hydrogen 3.157 N/A ALA 259.A N THR 255.A O no hydrogen 2.894 N/A LEU 260.A N ALA 256.A O no hydrogen 3.003 N/A LYS 261.A N GLN 258.A O no hydrogen 3.085 N/A VAL 262.A N ALA 259.A O no hydrogen 3.164 N/A TRP 264.A NE1 GLU 104.A OE1 no hydrogen 2.943 N/A ILE 265.A N VAL 262.A O no hydrogen 2.780 N/A CYS 266.A N VAL 262.A O no hydrogen 2.877 N/A CYS 266.A SG LEU 260.A O no hydrogen 2.510 N/A CYS 266.A SG VAL 262.A O no hydrogen 3.922 N/A ASN 267.A N PRO 263.A O no hydrogen 2.715 N/A ARG 268.A NH1 GLN 112.A OE1 no hydrogen 2.937 N/A ARG 270.A N ASN 267.A O no hydrogen 3.066 N/A ARG 270.A NE ASN 267.A OD1 no hydrogen 2.613 N/A ARG 270.A NH2 ASN 267.A OD1 no hydrogen 2.670 N/A VAL 271.A N ASN 267.A O no hydrogen 2.930 N/A ALA 272.A N ARG 268.A O no hydrogen 3.053 N/A SER 273.A N GLU 104.A OE1 no hydrogen 3.230 N/A ILE 275.A N SER 273.A OG no hydrogen 3.342 N/A HIS 276.A NE2 GLN 278.A OE1 no hydrogen 2.847 N/A ARG 277.A N TYR 102.A O no hydrogen 2.845 N/A ARG 277.A NE LEU 201.A O no hydrogen 3.105 N/A ARG 277.A NE THR 280.A OG1 no hydrogen 3.275 N/A ARG 277.A NH1 THR 233.A OG1 no hydrogen 2.897 N/A ARG 277.A NH2 GLU 230.A O no hydrogen 2.807 N/A GLN 278.A NE2 ASP 282.A OD1 no hydrogen 2.872 N/A THR 280.A N ARG 277.A O no hydrogen 3.094 N/A THR 280.A OG1 LEU 201.A O no hydrogen 2.632 N/A VAL 281.A N ARG 277.A O no hydrogen 3.326 N/A ASP 282.A N GLN 278.A O no hydrogen 2.925 N/A CYS 283.A N ASP 279.A O no hydrogen 2.868 N/A CYS 283.A SG ASP 279.A O no hydrogen 3.438 N/A LEU 284.A N THR 280.A O no hydrogen 2.810 N/A LYS 285.A N VAL 281.A O no hydrogen 2.971 N/A LYS 286.A N ASP 282.A O no hydrogen 3.358 N/A PHE 287.A N CYS 283.A O no hydrogen 2.862 N/A ASN 288.A N LEU 284.A O no hydrogen 2.828 N/A ASN 288.A ND2 PHE 93.A O no hydrogen 3.151 N/A ALA 289.A N LYS 285.A O no hydrogen 2.978 N/A ARG 290.A N LYS 286.A O no hydrogen 2.890 N/A ARG 291.A N PHE 287.A O no hydrogen 3.161 N/A ARG 291.A NE GLU 134.A OE2 no hydrogen 3.027 N/A ARG 291.A NH1 GLU 91.A OE1 no hydrogen 3.112 N/A ARG 291.A NH2 GLU 91.A OE1 no hydrogen 2.680 N/A ARG 291.A NH2 GLU 91.A OE2 no hydrogen 2.539 N/A LYS 292.A N ASN 288.A O no hydrogen 2.919 N/A LEU 293.A N ALA 289.A O no hydrogen 2.985 N/A LYS 294.A N ARG 290.A O no hydrogen 3.044 N/A GLY 295.A N ARG 291.A O no hydrogen 2.933 N/A ALA 296.A N LYS 292.A O no hydrogen 2.932 N/A ILE 297.A N LEU 293.A O no hydrogen 2.982 N/A LEU 298.A N LYS 294.A O no hydrogen 3.019 N/A THR 299.A N GLY 295.A O no hydrogen 2.911 N/A THR 299.A OG1 GLY 295.A O no hydrogen 3.010 N/A THR 300.A N ALA 296.A O no hydrogen 2.976 N/A THR 300.A OG1 ALA 296.A O no hydrogen 2.888 N/A MET 301.A N ILE 297.A O no hydrogen 3.067 N/A ILE 302.A N LEU 298.A O no hydrogen 2.915 N/A ALA 303.A N THR 299.A O no hydrogen 2.900 N/A THR 304.A N THR 300.A O no hydrogen 2.891 N/A THR 304.A OG1 THR 300.A O no hydrogen 2.934 N/A ARG 305.A N MET 301.A O no hydrogen 3.074 N/A ASN 306.A N ILE 302.A O no hydrogen 3.066 N/A LEU 307.A N ALA 303.A O no hydrogen 3.161 N/A SER 308.A N THR 304.A O no hydrogen 3.008 N/A SER 308.A OG THR 304.A O no hydrogen 3.080 N/A ASN 309.A ND2 ASN 306.A O no hydrogen 3.269 N/A