Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3fdu_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): HIS 5.A ND1 TYR 29.A OH no hydrogen 2.800 N/A ASN 7.A N ALA 18.A O no hydrogen 2.925 N/A ASN 9.A N THR 16.A O no hydrogen 3.078 N/A GLU 11.A N VAL 14.A O no hydrogen 3.089 N/A VAL 14.A N GLU 11.A O no hydrogen 2.926 N/A LEU 15.A N VAL 51.A O no hydrogen 2.877 N/A THR 16.A N ASN 9.A O no hydrogen 2.765 N/A LEU 17.A N VAL 53.A O no hydrogen 2.682 N/A ALA 18.A N ASN 7.A O no hydrogen 2.936 N/A ILE 19.A N ARG 55.A O no hydrogen 2.913 N/A ASN 20.A N HIS 5.A O no hydrogen 3.023 N/A ARG 21.A N ASN 26.A OD1 no hydrogen 2.747 N/A ARG 21.A NH1 ALA 27.A O no hydrogen 2.759 N/A ARG 21.A NH1 ASP 66.A OD1 no hydrogen 2.843 N/A ARG 21.A NH2 ASP 66.A OD1 no hydrogen 3.191 N/A ALA 24.A N ARG 21.A O no hydrogen 3.062 N/A LYS 25.A N PRO 22.A O no hydrogen 2.969 N/A ASN 26.A N ARG 21.A O no hydrogen 2.868 N/A ASN 26.A ND2 ILE 19.A O no hydrogen 3.072 N/A ASN 26.A ND2 PHE 61.A O no hydrogen 3.067 N/A ALA 27.A N ALA 24.A O no hydrogen 3.084 N/A LEU 28.A N GLY 64.A O no hydrogen 2.847 N/A TYR 29.A OH HIS 5.A ND1 no hydrogen 2.800 N/A GLY 30.A N ASP 69.A OD2 no hydrogen 3.210 N/A TYR 33.A N TYR 29.A O no hydrogen 3.124 N/A TYR 33.A OH ASN 65.A OD1 no hydrogen 2.749 N/A LEU 34.A N GLY 30.A O no hydrogen 3.402 N/A TRP 35.A N GLU 31.A O no hydrogen 2.905 N/A ILE 36.A N LEU 32.A O no hydrogen 2.891 N/A ALA 37.A N TYR 33.A O no hydrogen 2.893 N/A LYS 38.A N LEU 34.A O no hydrogen 2.785 N/A LYS 38.A NZ LEU 34.A O no hydrogen 2.914 N/A ALA 39.A N TRP 35.A O no hydrogen 3.093 N/A LEU 40.A N ILE 36.A O no hydrogen 3.091 N/A ASP 41.A N ALA 37.A O no hydrogen 3.053 N/A GLU 42.A N LYS 38.A O no hydrogen 2.811 N/A ALA 43.A N ALA 39.A O no hydrogen 2.835 N/A ASP 44.A N LEU 40.A O no hydrogen 3.125 N/A ASP 44.A N ASP 41.A O no hydrogen 3.216 N/A GLN 45.A N GLU 42.A O no hydrogen 3.068 N/A ASN 46.A N ALA 43.A O no hydrogen 3.188 N/A ASP 48.A N ASN 46.A OD1 no hydrogen 2.994 N/A VAL 49.A N ASN 46.A O no hydrogen 2.940 N/A ARG 50.A N GLY 13.A O no hydrogen 2.745 N/A ARG 50.A NE THR 199.A O no hydrogen 3.124 N/A VAL 51.A N GLY 13.A O no hydrogen 3.131 N/A VAL 52.A N PRO 100.A O no hydrogen 3.075 N/A VAL 53.A N LEU 15.A O no hydrogen 2.787 N/A LEU 54.A N ILE 102.A O no hydrogen 2.927 N/A ARG 55.A N LEU 17.A O no hydrogen 3.031 N/A ARG 55.A NH1 GLY 56.A O no hydrogen 2.883 N/A ALA 57.A N ILE 19.A O no hydrogen 2.770 N/A PHE 61.A N VAL 108.A O no hydrogen 3.144 N/A THR 62.A N VAL 108.A O no hydrogen 2.963 N/A THR 62.A OG1 ASN 26.A O no hydrogen 2.754 N/A ALA 63.A N LYS 25.A O no hydrogen 2.963 N/A GLY 64.A N THR 62.A OG1 no hydrogen 3.008 N/A ASP 66.A N LEU 28.A O no hydrogen 2.843 N/A ASP 69.A N ASP 66.A OD2 no hydrogen 2.912 N/A PHE 70.A N ASP 66.A O no hydrogen 2.812 N/A MET 71.A N MET 67.A O no hydrogen 3.010 N/A MET 71.A N LYS 68.A O no hydrogen 3.162 N/A GLY 72.A N LYS 68.A O no hydrogen 3.245 N/A PHE 73.A N ASP 69.A O no hydrogen 2.884 N/A VAL 74.A N PHE 70.A O no hydrogen 2.942 N/A GLN 75.A N MET 71.A O no hydrogen 3.440 N/A GLN 75.A NE2 MET 71.A O no hydrogen 3.024 N/A ASN 76.A N PHE 73.A O no hydrogen 3.009 N/A GLY 80.A N ASN 78.A OD1 no hydrogen 2.922 N/A GLN 84.A N PRO 81.A O no hydrogen 3.014 N/A VAL 85.A N ALA 82.A O no hydrogen 3.074 N/A VAL 89.A N VAL 85.A O no hydrogen 3.357 N/A LEU 90.A N PRO 86.A O no hydrogen 3.133 N/A LEU 91.A N PRO 87.A O no hydrogen 3.037 N/A LYS 92.A N PHE 88.A O no hydrogen 2.889 N/A LYS 92.A NZ GLY 83.A O no hydrogen 2.696 N/A LYS 92.A NZ ASP 225.A OD1 no hydrogen 2.970 N/A SER 93.A N VAL 89.A O no hydrogen 2.899 N/A SER 93.A OG ASP 41.A OD1 no hydrogen 3.096 N/A SER 93.A OG ASP 41.A OD2 no hydrogen 3.417 N/A SER 93.A OG VAL 89.A O no hydrogen 3.195 N/A ALA 94.A N LEU 90.A O no hydrogen 2.906 N/A ALA 95.A N LEU 91.A O no hydrogen 2.934 N/A ARG 96.A N LYS 92.A O no hydrogen 2.931 N/A LEU 97.A N SER 93.A O no hydrogen 3.195 N/A LEU 97.A N ALA 94.A O no hydrogen 3.259 N/A SER 98.A N ASP 44.A OD2 no hydrogen 2.906 N/A SER 98.A OG ASP 44.A OD1 no hydrogen 2.744 N/A LYS 99.A NZ ALA 43.A O no hydrogen 2.961 N/A LYS 99.A NZ ASP 44.A O no hydrogen 3.439 N/A LYS 99.A NZ VAL 49.A O no hydrogen 2.640 N/A LEU 101.A N ASP 121.A OD2 no hydrogen 2.819 N/A ILE 102.A N VAL 52.A O no hydrogen 2.844 N/A ILE 103.A N LEU 122.A O no hydrogen 3.024 N/A ALA 104.A N LEU 54.A O no hydrogen 3.235 N/A VAL 105.A N PHE 124.A O no hydrogen 2.726 N/A GLY 107.A N THR 128.A OG1 no hydrogen 3.003 N/A VAL 108.A N ASP 60.A OD1 no hydrogen 3.041 N/A ALA 109.A N LEU 130.A O no hydrogen 2.927 N/A ILE 110.A N THR 62.A O no hydrogen 2.903 N/A GLY 111.A N GLN 132.A O no hydrogen 2.792 N/A GLY 113.A N ILE 110.A O no hydrogen 2.863 N/A VAL 114.A N GLY 111.A O no hydrogen 2.988 N/A THR 115.A N GLY 111.A O no hydrogen 2.989 N/A ILE 116.A N ILE 112.A O no hydrogen 3.019 N/A LEU 117.A N VAL 114.A O no hydrogen 3.071 N/A LEU 118.A N THR 115.A O no hydrogen 3.186 N/A GLN 119.A N ILE 116.A O no hydrogen 2.911 N/A GLN 119.A NE2 THR 115.A O no hydrogen 3.230 N/A GLN 119.A NE2 GLY 144.A O no hydrogen 2.875 N/A ALA 120.A N LEU 117.A O no hydrogen 3.158 N/A ASP 121.A N LEU 101.A O no hydrogen 2.935 N/A LEU 122.A N LEU 101.A O no hydrogen 3.507 N/A VAL 123.A N ASN 181.A OD1 no hydrogen 2.849 N/A PHE 124.A N ILE 103.A O no hydrogen 2.905 N/A ALA 125.A N GLU 182.A O no hydrogen 3.323 N/A ASP 126.A N VAL 105.A O no hydrogen 3.254 N/A THR 128.A N ASP 126.A OD1 no hydrogen 2.887 N/A THR 128.A OG1 ASP 126.A OD1 no hydrogen 2.490 N/A ALA 129.A N ASP 126.A O no hydrogen 3.144 N/A LEU 130.A N GLY 107.A O no hydrogen 2.824 N/A PHE 131.A N PHE 169.A O no hydrogen 2.949 N/A GLN 132.A N ALA 109.A O no hydrogen 3.249 N/A GLN 132.A NE2 ALA 166.A O no hydrogen 3.061 N/A SER 137.A OG PRO 134.A O no hydrogen 2.970 N/A LEU 138.A N PRO 134.A O no hydrogen 2.990 N/A LEU 138.A N PHE 135.A O no hydrogen 3.201 N/A GLY 139.A N VAL 136.A O no hydrogen 3.050 N/A LEU 140.A N PHE 135.A O no hydrogen 2.907 N/A GLY 145.A N GLU 227.A OE1 no hydrogen 2.731 N/A ALA 146.A N GLU 143.A O no hydrogen 3.312 N/A SER 147.A N GLU 227.A OE2 no hydrogen 2.855 N/A SER 147.A OG GLU 227.A OE2 no hydrogen 2.432 N/A GLN 148.A N GLY 145.A O no hydrogen 2.942 N/A LEU 149.A N GLY 145.A O no hydrogen 2.749 N/A LEU 150.A N ALA 146.A O no hydrogen 3.002 N/A LYS 152.A N GLN 148.A O no hydrogen 3.022 N/A GLN 153.A N LEU 149.A O no hydrogen 2.876 N/A GLN 153.A NE2 GLN 153.A O no hydrogen 3.056 N/A ALA 154.A N LEU 150.A O no hydrogen 2.811 N/A GLY 155.A N VAL 151.A O no hydrogen 2.880 N/A LYS 158.A NZ GLU 161.A OE2 no hydrogen 2.775 N/A ALA 159.A N GLY 155.A O no hydrogen 3.098 N/A ALA 160.A N TYR 156.A O no hydrogen 2.821 N/A GLU 161.A N HIS 157.A O no hydrogen 3.010 N/A LEU 162.A N LYS 158.A O no hydrogen 3.063 N/A LEU 163.A N ALA 159.A O no hydrogen 2.909 N/A PHE 164.A N ALA 160.A O no hydrogen 2.683 N/A THR 165.A N GLU 161.A O no hydrogen 3.149 N/A THR 165.A OG1 GLU 161.A O no hydrogen 2.535 N/A LYS 167.A N THR 165.A OG1 no hydrogen 3.247 N/A LYS 167.A NZ GLU 161.A OE1 no hydrogen 2.478 N/A LYS 168.A NZ GLN 132.A OE1 no hydrogen 2.860 N/A PHE 169.A N PHE 131.A O no hydrogen 2.922 N/A THR 173.A N ASN 170.A OD1 no hydrogen 2.851 N/A THR 173.A OG1 ASN 170.A OD1 no hydrogen 3.321 N/A ALA 174.A N ASN 170.A O no hydrogen 3.070 N/A LEU 175.A N ALA 171.A O no hydrogen 2.777 N/A GLN 176.A N GLU 172.A O no hydrogen 2.937 N/A ALA 177.A N THR 173.A O no hydrogen 3.033 N/A GLY 178.A N LEU 175.A O no hydrogen 3.093 N/A LEU 179.A N ALA 174.A O no hydrogen 2.991 N/A ASN 181.A N VAL 123.A O no hydrogen 2.748 N/A VAL 184.A N ALA 125.A O no hydrogen 2.908 N/A TYR 188.A OH GLU 58.A O no hydrogen 2.636 N/A ALA 189.A N ASP 186.A OD1 no hydrogen 2.805 N/A THR 190.A N ASP 186.A O no hydrogen 2.907 N/A THR 190.A OG1 ASP 186.A O no hydrogen 3.176 N/A ALA 191.A N ALA 187.A O no hydrogen 2.985 N/A GLN 192.A N TYR 188.A O no hydrogen 3.113 N/A GLN 192.A NE2 GLN 196.A OE1 no hydrogen 2.544 N/A ALA 193.A N ALA 189.A O no hydrogen 2.885 N/A THR 194.A N THR 190.A O no hydrogen 2.958 N/A THR 194.A OG1 THR 190.A O no hydrogen 2.891 N/A ALA 195.A N ALA 191.A O no hydrogen 2.945 N/A GLN 196.A N GLN 192.A O no hydrogen 3.018 N/A HIS 197.A N ALA 193.A O no hydrogen 2.981 N/A LEU 198.A N THR 194.A O no hydrogen 2.958 N/A THR 199.A N ALA 195.A O no hydrogen 2.949 N/A THR 199.A OG1 GLN 196.A O no hydrogen 2.943 N/A ALA 200.A N GLN 196.A O no hydrogen 3.150 N/A ALA 200.A N HIS 197.A O no hydrogen 3.152 N/A LEU 201.A N LEU 198.A O no hydrogen 3.054 N/A LEU 206.A N PRO 202.A O no hydrogen 3.175 N/A LYS 207.A N LEU 203.A O no hydrogen 2.866 N/A GLN 208.A N ALA 204.A O no hydrogen 2.913 N/A GLN 208.A NE2 GLN 208.A O no hydrogen 2.903 N/A THR 209.A N SER 205.A O no hydrogen 2.918 N/A THR 209.A OG1 SER 205.A O no hydrogen 2.559 N/A LYS 210.A N LEU 206.A O no hydrogen 3.056 N/A LYS 210.A NZ LEU 97.A O no hydrogen 3.117 N/A LYS 210.A NZ LYS 99.A O no hydrogen 2.813 N/A LYS 210.A NZ ASP 121.A OD1 no hydrogen 3.493 N/A LYS 210.A NZ ASP 121.A OD2 no hydrogen 2.765 N/A ALA 211.A N LYS 207.A O no hydrogen 3.022 N/A LEU 212.A N GLN 208.A O no hydrogen 3.086 N/A MET 213.A N THR 209.A O no hydrogen 3.015 N/A LYS 214.A N LYS 210.A O no hydrogen 2.878 N/A LYS 214.A NZ ALA 95.A O no hydrogen 3.054 N/A HIS 215.A N LEU 212.A O no hydrogen 3.297 N/A LEU 217.A N LYS 214.A O no hydrogen 3.097 N/A GLN 219.A NE2 ASP 216.A O no hydrogen 3.394 N/A ILE 220.A N ASP 216.A O no hydrogen 3.051 N/A ILE 221.A N LEU 217.A O no hydrogen 2.841 N/A GLU 222.A N ASP 218.A O no hydrogen 2.967 N/A CYS 223.A N GLN 219.A O no hydrogen 2.932 N/A CYS 223.A SG GLY 145.A O no hydrogen 4.038 N/A ILE 224.A N ILE 220.A O no hydrogen 2.928 N/A ASP 225.A N ILE 221.A O no hydrogen 3.048 N/A HIS 226.A N GLU 222.A O no hydrogen 3.005 N/A GLU 227.A N CYS 223.A O no hydrogen 2.904 N/A ALA 228.A N ILE 224.A O no hydrogen 2.931 N/A GLU 229.A N ASP 225.A O no hydrogen 3.164 N/A ILE 230.A N HIS 226.A O no hydrogen 3.327 N/A PHE 231.A N GLU 227.A O no hydrogen 2.788 N/A MET 232.A N ALA 228.A O no hydrogen 3.026 N/A GLN 233.A N GLU 229.A O no hydrogen 3.202 N/A ARG 234.A N ILE 230.A O no hydrogen 3.152 N/A ARG 234.A NE GLY 139.A O no hydrogen 3.378 N/A VAL 235.A N PHE 231.A O no hydrogen 2.814 N/A GLN 236.A N MET 232.A O no hydrogen 2.826 N/A SER 237.A N ARG 234.A O no hydrogen 3.167 N/A SER 237.A OG ARG 234.A O no hydrogen 2.978 N/A GLU 239.A N GLU 239.A OE1 no hydrogen 2.697 N/A MET 240.A N SER 237.A O no hydrogen 3.065 N/A MET 240.A N SER 237.A OG no hydrogen 3.371 N/A LEU 241.A N SER 237.A O no hydrogen 3.220 N/A GLU 242.A N PRO 238.A O no hydrogen 3.186 N/A ALA 243.A N GLU 239.A O no hydrogen 3.149 N/A VAL 244.A N MET 240.A O no hydrogen 2.918 N/A GLN 245.A N LEU 241.A O no hydrogen 2.831 N/A ALA 246.A N GLU 242.A O no hydrogen 2.937 N/A PHE 247.A N ALA 243.A O no hydrogen 3.001 N/A MET 248.A N VAL 244.A O no hydrogen 2.769 N/A