Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1xjd_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): PHE 4.A N ILE 1.A O no hydrogen 3.090 N/A ILE 5.A N GLU 22.A O no hydrogen 2.821 N/A HIS 7.A N LEU 20.A O no hydrogen 3.092 N/A HIS 7.A NE2 GLU 22.A OE2 no hydrogen 2.730 N/A LEU 10.A N VAL 18.A O no hydrogen 2.711 N/A GLY 11.A N VAL 18.A O no hydrogen 3.298 N/A GLY 13.A N GLY 16.A O no hydrogen 3.391 N/A SER 14.A N ASP 146.A OD2 no hydrogen 2.541 N/A SER 14.A OG ASP 146.A OD1 no hydrogen 2.835 N/A SER 14.A OG ASP 146.A OD2 no hydrogen 3.567 N/A VAL 18.A N GLY 11.A O no hydrogen 2.718 N/A PHE 19.A N ILE 32.A O no hydrogen 2.732 N/A LEU 20.A N LYS 8.A O no hydrogen 2.825 N/A ALA 21.A N PHE 30.A O no hydrogen 2.708 N/A GLU 22.A N ILE 5.A O no hydrogen 2.937 N/A PHE 23.A N GLN 28.A O no hydrogen 2.759 N/A LYS 24.A N ASP 3.A O no hydrogen 3.007 N/A LYS 24.A NZ GLU 2.A O no hydrogen 2.809 N/A THR 26.A N PHE 23.A O no hydrogen 2.899 N/A THR 26.A OG1 PHE 23.A O no hydrogen 3.357 N/A ASN 27.A N PHE 23.A O no hydrogen 3.019 N/A GLN 28.A N THR 26.A OG1 no hydrogen 3.390 N/A GLN 28.A NE2 THR 26.A OG1 no hydrogen 3.083 N/A PHE 30.A N ALA 21.A O no hydrogen 2.597 N/A ALA 31.A N MET 82.A O no hydrogen 2.963 N/A ILE 32.A N PHE 19.A O no hydrogen 2.830 N/A LYS 33.A N PHE 80.A O no hydrogen 2.951 N/A LYS 33.A NZ GLU 52.A OE1 no hydrogen 2.513 N/A LYS 33.A NZ GLU 52.A OE2 no hydrogen 2.878 N/A ALA 34.A N LYS 17.A O no hydrogen 2.623 N/A LEU 35.A N LEU 78.A O no hydrogen 2.761 N/A LYS 37.A N GLU 76.A O no hydrogen 2.987 N/A LYS 37.A NZ GLN 73.A OE1 no hydrogen 2.854 N/A LYS 37.A NZ THR 74.A O no hydrogen 2.616 N/A VAL 39.A N LYS 36.A O no hydrogen 2.957 N/A VAL 40.A N LYS 36.A O no hydrogen 3.103 N/A LEU 41.A N LYS 37.A O no hydrogen 2.964 N/A MET 42.A N ASP 38.A O no hydrogen 3.285 N/A ASP 43.A N VAL 39.A O no hydrogen 2.772 N/A ASP 44.A N LEU 41.A O no hydrogen 2.832 N/A ASP 45.A N VAL 40.A O no hydrogen 2.868 N/A THR 49.A N ASP 45.A O no hydrogen 3.277 N/A THR 49.A N VAL 46.A O no hydrogen 3.268 N/A THR 49.A OG1 VAL 46.A O no hydrogen 2.663 N/A MET 50.A N VAL 46.A O no hydrogen 3.352 N/A VAL 51.A N GLU 47.A O no hydrogen 2.799 N/A GLU 52.A N CYS 48.A O no hydrogen 3.263 N/A LYS 53.A N THR 49.A O no hydrogen 3.172 N/A LYS 53.A NZ PHE 279.A O no hydrogen 3.029 N/A ARG 54.A N MET 50.A O no hydrogen 2.923 N/A ARG 54.A NE GLU 152.A OE2 no hydrogen 3.114 N/A ARG 54.A NH2 GLU 47.A OE2 no hydrogen 2.526 N/A ARG 54.A NH2 GLU 152.A OE1 no hydrogen 2.935 N/A VAL 55.A N VAL 51.A O no hydrogen 2.880 N/A LEU 56.A N GLU 52.A O no hydrogen 2.846 N/A SER 57.A N LYS 53.A O no hydrogen 3.012 N/A SER 57.A OG LYS 53.A O no hydrogen 2.967 N/A LEU 58.A N ARG 54.A O no hydrogen 3.005 N/A ALA 59.A N VAL 55.A O no hydrogen 2.792 N/A TRP 60.A N SER 57.A O no hydrogen 3.448 N/A GLU 61.A N LEU 58.A O no hydrogen 3.024 N/A HIS 62.A N ALA 59.A O no hydrogen 2.856 N/A THR 66.A N ILE 144.A O no hydrogen 2.921 N/A THR 66.A OG1 ILE 144.A O no hydrogen 2.728 N/A HIS 67.A N GLU 83.A OE2 no hydrogen 2.741 N/A PHE 69.A N VAL 81.A O no hydrogen 2.765 N/A CYS 70.A N VAL 81.A O no hydrogen 3.458 N/A THR 71.A N PHE 280.A O no hydrogen 2.221 N/A THR 71.A OG1 PHE 79.A O no hydrogen 2.983 N/A PHE 72.A N PHE 79.A O no hydrogen 3.259 N/A GLN 73.A NE2 PHE 276.A O no hydrogen 3.120 N/A THR 74.A N ASN 77.A O no hydrogen 3.149 N/A ASN 77.A ND2 LEU 35.A O no hydrogen 3.315 N/A LEU 78.A N LEU 35.A O no hydrogen 2.607 N/A PHE 79.A N PHE 72.A O no hydrogen 3.048 N/A PHE 80.A N LYS 33.A O no hydrogen 2.902 N/A VAL 81.A N CYS 70.A O no hydrogen 2.979 N/A MET 82.A N ALA 31.A O no hydrogen 2.847 N/A GLU 83.A N HIS 67.A O no hydrogen 3.051 N/A GLY 87.A N LEU 136.A O no hydrogen 2.847 N/A LEU 90.A N ILE 134.A O no hydrogen 2.762 N/A TYR 92.A N ASP 89.A OD1 no hydrogen 2.918 N/A HIS 93.A N ASP 89.A O no hydrogen 3.383 N/A HIS 93.A NE2 GLY 87.A O no hydrogen 2.573 N/A ILE 94.A N LEU 90.A O no hydrogen 2.820 N/A GLN 95.A N MET 91.A O no hydrogen 2.994 N/A SER 96.A N TYR 92.A O no hydrogen 3.090 N/A SER 96.A OG TYR 92.A O no hydrogen 3.446 N/A SER 96.A OG HIS 93.A O no hydrogen 3.218 N/A CYS 97.A N HIS 93.A O no hydrogen 2.773 N/A PHE 100.A N MET 195.A O no hydrogen 2.707 N/A SER 103.A N ASP 101.A OD2 no hydrogen 3.050 N/A ARG 104.A NH1 TYR 108.A OH no hydrogen 2.990 N/A ALA 105.A N ASP 101.A O no hydrogen 3.014 N/A THR 106.A N LEU 102.A O no hydrogen 2.879 N/A THR 106.A OG1 LEU 102.A O no hydrogen 2.619 N/A PHE 107.A N SER 103.A O no hydrogen 3.078 N/A TYR 108.A N ARG 104.A O no hydrogen 3.137 N/A ALA 109.A N ALA 105.A O no hydrogen 2.898 N/A ALA 110.A N THR 106.A O no hydrogen 2.982 N/A GLU 111.A N PHE 107.A O no hydrogen 3.278 N/A ILE 112.A N TYR 108.A O no hydrogen 2.930 N/A ILE 113.A N ALA 109.A O no hydrogen 2.859 N/A LEU 114.A N ALA 110.A O no hydrogen 3.187 N/A GLY 115.A N GLU 111.A O no hydrogen 3.068 N/A LEU 116.A N ILE 112.A O no hydrogen 2.913 N/A GLN 117.A N ILE 113.A O no hydrogen 2.841 N/A PHE 118.A N LEU 114.A O no hydrogen 2.982 N/A LEU 119.A N GLY 115.A O no hydrogen 3.179 N/A HIS 120.A N LEU 116.A O no hydrogen 2.834 N/A HIS 120.A NE2 ASP 184.A OD2 no hydrogen 2.700 N/A SER 121.A N GLN 117.A O no hydrogen 2.858 N/A SER 121.A OG GLN 117.A O no hydrogen 3.521 N/A SER 121.A OG PHE 118.A O no hydrogen 2.684 N/A LYS 122.A N PHE 118.A O no hydrogen 3.100 N/A LYS 122.A N LEU 119.A O no hydrogen 3.117 N/A GLY 123.A N HIS 120.A O no hydrogen 3.032 N/A ILE 124.A N LEU 119.A O no hydrogen 2.943 N/A VAL 125.A N LYS 151.A O no hydrogen 3.001 N/A TYR 126.A N ASP 184.A OD2 no hydrogen 2.924 N/A TYR 126.A OH ALA 145.A O no hydrogen 2.501 N/A TYR 126.A OH ASP 146.A O no hydrogen 3.025 N/A ARG 127.A N ASP 184.A OD1 no hydrogen 2.739 N/A ARG 127.A NE MET 149.A O no hydrogen 2.989 N/A ARG 127.A NH1 TYR 179.A OH no hydrogen 2.903 N/A ARG 127.A NH2 MET 149.A O no hydrogen 3.270 N/A LYS 130.A NZ THR 165.A OG1 no hydrogen 2.992 N/A LEU 131.A N TYR 168.A OH no hydrogen 3.250 N/A ASN 133.A N LYS 130.A O no hydrogen 2.857 N/A ASN 133.A ND2 ASP 128.A O no hydrogen 2.859 N/A ASN 133.A ND2 ASP 128.A OD2 no hydrogen 2.985 N/A ILE 134.A N LEU 131.A O no hydrogen 3.073 N/A LEU 135.A N LYS 143.A O no hydrogen 2.955 N/A LEU 136.A N GLY 88.A O no hydrogen 2.854 N/A ASP 137.A N HIS 141.A O no hydrogen 2.790 N/A LYS 138.A N ASP 137.A OD1 no hydrogen 2.520 N/A GLY 140.A N ASP 137.A O no hydrogen 3.135 N/A HIS 141.A N ASP 139.A OD1 no hydrogen 3.025 N/A HIS 141.A ND1 GLU 111.A OE2 no hydrogen 2.609 N/A ILE 142.A N GLU 111.A OE1 no hydrogen 3.070 N/A LYS 143.A N LEU 135.A O no hydrogen 2.816 N/A LYS 143.A NZ PRO 63.A O no hydrogen 2.960 N/A LYS 143.A NZ LEU 65.A O no hydrogen 2.770 N/A LYS 143.A NZ GLU 83.A OE2 no hydrogen 3.084 N/A ILE 144.A N PHE 64.A O no hydrogen 2.855 N/A ALA 145.A N ASN 133.A O no hydrogen 2.923 N/A PHE 147.A N GLU 52.A OE2 no hydrogen 3.258 N/A GLY 148.A N ASP 146.A OD1 no hydrogen 3.326 N/A CYS 150.A N PHE 147.A O no hydrogen 3.304 N/A CYS 150.A SG PHE 147.A O no hydrogen 3.483 N/A LYS 151.A N VAL 125.A O no hydrogen 2.968 N/A MET 154.A N GLY 123.A O no hydrogen 2.764 N/A ALA 158.A N LEU 155.A O no hydrogen 3.056 N/A THR 160.A N TYR 179.A O no hydrogen 2.830 N/A THR 165.A OG1 ASP 128.A OD1 no hydrogen 3.411 N/A TYR 168.A N THR 165.A O no hydrogen 2.819 N/A TYR 168.A OH GLU 194.A OE1 no hydrogen 2.490 N/A ILE 169.A N PRO 166.A O no hydrogen 3.270 N/A GLU 172.A N GLU 172.A OE2 no hydrogen 2.794 N/A ILE 173.A N ALA 170.A O no hydrogen 3.085 N/A LEU 174.A N ALA 170.A O no hydrogen 3.304 N/A LEU 175.A N PRO 171.A O no hydrogen 2.865 N/A GLY 176.A N ILE 173.A O no hydrogen 2.953 N/A GLN 177.A N GLU 172.A O no hydrogen 2.920 N/A TYR 179.A N THR 160.A O no hydrogen 2.832 N/A SER 182.A N ASN 180.A OD1 no hydrogen 2.813 N/A SER 182.A OG GLU 172.A OE1 no hydrogen 2.711 N/A SER 182.A OG ASN 180.A OD1 no hydrogen 3.323 N/A VAL 183.A N ASN 180.A O no hydrogen 3.283 N/A ASP 184.A N HIS 181.A O no hydrogen 2.874 N/A TRP 185.A N SER 182.A O no hydrogen 3.161 N/A SER 187.A N VAL 183.A O no hydrogen 3.201 N/A SER 187.A OG TYR 168.A O no hydrogen 2.955 N/A SER 187.A OG VAL 183.A O no hydrogen 3.203 N/A PHE 188.A N ASP 184.A O no hydrogen 2.897 N/A GLY 189.A N TRP 185.A O no hydrogen 3.230 N/A VAL 190.A N TRP 186.A O no hydrogen 3.036 N/A LEU 191.A N SER 187.A O no hydrogen 2.873 N/A LEU 192.A N PHE 188.A O no hydrogen 2.759 N/A TYR 193.A N GLY 189.A O no hydrogen 2.860 N/A TYR 193.A OH PHE 220.A O no hydrogen 2.523 N/A GLU 194.A N VAL 190.A O no hydrogen 2.889 N/A MET 195.A N LEU 191.A O no hydrogen 3.018 N/A LEU 196.A N LEU 192.A O no hydrogen 3.170 N/A ILE 197.A N TYR 193.A O no hydrogen 2.823 N/A GLY 198.A N GLU 194.A O no hydrogen 2.750 N/A SER 200.A OG GLU 194.A OE2 no hydrogen 2.805 N/A GLU 209.A N ASP 206.A OD1 no hydrogen 2.880 N/A LEU 210.A N ASP 206.A O no hydrogen 2.956 N/A PHE 211.A N GLU 207.A O no hydrogen 2.762 N/A HIS 212.A N GLU 208.A O no hydrogen 3.077 N/A SER 213.A N GLU 209.A O no hydrogen 2.932 N/A SER 213.A OG ASP 217.A OD2 no hydrogen 2.954 N/A ILE 214.A N LEU 210.A O no hydrogen 2.862 N/A ARG 215.A N PHE 211.A O no hydrogen 3.013 N/A MET 216.A N HIS 212.A O no hydrogen 2.863 N/A ASP 217.A N SER 213.A O no hydrogen 2.903 N/A LEU 225.A N PRO 222.A O no hydrogen 3.101 N/A ALA 229.A N GLU 226.A O no hydrogen 3.099 N/A LYS 230.A N GLU 226.A O no hydrogen 3.018 N/A ASP 231.A N LYS 227.A O no hydrogen 2.927 N/A LEU 232.A N GLU 228.A O no hydrogen 3.108 N/A LEU 233.A N ALA 229.A O no hydrogen 3.071 N/A VAL 234.A N LYS 230.A O no hydrogen 2.905 N/A LYS 235.A N ASP 231.A O no hydrogen 3.106 N/A LYS 235.A NZ ASP 231.A OD1 no hydrogen 3.103 N/A LYS 235.A NZ ASP 231.A OD2 no hydrogen 2.941 N/A LEU 236.A N LEU 232.A O no hydrogen 2.959 N/A LEU 236.A N LEU 233.A O no hydrogen 3.027 N/A PHE 237.A N LEU 233.A O no hydrogen 2.783 N/A ARG 239.A NE ARG 215.A O no hydrogen 3.349 N/A ARG 239.A NH1 ASP 217.A O no hydrogen 3.318 N/A ARG 239.A NH2 ASP 217.A O no hydrogen 2.640 N/A GLU 242.A N GLU 240.A OE1 no hydrogen 2.734 N/A LYS 243.A N GLU 240.A O no hydrogen 3.027 N/A ARG 244.A N PRO 241.A O no hydrogen 3.232 N/A ARG 244.A NE VAL 238.A O no hydrogen 3.015 N/A ARG 244.A NH1 GLU 172.A OE1 no hydrogen 2.754 N/A ARG 244.A NH1 GLU 172.A OE2 no hydrogen 3.420 N/A ARG 244.A NH1 SER 182.A O no hydrogen 2.767 N/A ARG 244.A NH2 GLU 172.A OE2 no hydrogen 2.806 N/A ARG 244.A NH2 VAL 238.A O no hydrogen 2.976 N/A LEU 245.A N LYS 235.A O no hydrogen 3.296 N/A GLY 246.A N ARG 248.A O no hydrogen 3.328 N/A VAL 247.A N ARG 244.A O no hydrogen 2.837 N/A ARG 248.A N ARG 244.A O no hydrogen 2.858 N/A ARG 252.A N ASP 250.A OD1 no hydrogen 3.069 N/A ARG 252.A NE GLN 117.A OE1 no hydrogen 2.806 N/A ARG 252.A NH2 GLN 117.A OE1 no hydrogen 2.712 N/A GLN 253.A N ASP 250.A O no hydrogen 2.937 N/A HIS 254.A N ILE 251.A O no hydrogen 3.209 N/A HIS 254.A NE2 ASP 231.A OD1 no hydrogen 2.695 N/A LEU 256.A N HIS 254.A ND1 no hydrogen 3.013 N/A PHE 257.A N HIS 254.A O no hydrogen 2.879 N/A ARG 258.A N PRO 255.A O no hydrogen 2.948 N/A ARG 258.A NE PRO 255.A O no hydrogen 2.820 N/A ILE 260.A N PHE 257.A O no hydrogen 2.889 N/A GLU 264.A N ASN 261.A OD1 no hydrogen 2.964 N/A LEU 265.A N ASN 261.A O no hydrogen 2.894 N/A GLU 266.A N TRP 262.A O no hydrogen 3.040 N/A ARG 267.A N GLU 263.A O no hydrogen 3.119 N/A ARG 267.A NE GLU 269.A OE1 no hydrogen 3.327 N/A ARG 267.A NH2 GLU 269.A OE1 no hydrogen 3.385 N/A LYS 268.A N LEU 265.A O no hydrogen 2.762 N/A GLU 269.A N GLU 264.A O no hydrogen 2.812 N/A PHE 280.A N THR 71.A O no hydrogen 2.722 N/A