Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3md9_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 1.A N GLU 23.A OE1 no hydrogen 3.027 N/A GLU 2.A N GLU 23.A OE1 no hydrogen 3.263 N/A ARG 3.A N THR 60.A OG1 no hydrogen 2.777 N/A ARG 3.A NE MET 57.A O no hydrogen 3.244 N/A ARG 3.A NE LYS 58.A O no hydrogen 3.081 N/A ARG 3.A NH2 MET 57.A O no hydrogen 2.837 N/A ILE 4.A N GLU 23.A O no hydrogen 2.826 N/A VAL 5.A N MET 61.A O no hydrogen 3.003 N/A THR 6.A N ALA 26.A O no hydrogen 3.100 N/A THR 6.A OG1 THR 12.A OG1 no hydrogen 2.768 N/A ILE 7.A N LEU 63.A O no hydrogen 2.864 N/A GLY 8.A N ASP 28.A OD1 no hydrogen 2.732 N/A GLY 9.A N THR 30.A OG1 no hydrogen 2.943 N/A THR 12.A N GLY 8.A O no hydrogen 2.929 N/A THR 12.A OG1 THR 6.A OG1 no hydrogen 2.768 N/A THR 12.A OG1 GLY 8.A O no hydrogen 3.308 N/A THR 12.A OG1 SER 31.A OG no hydrogen 2.698 N/A GLU 13.A N GLY 9.A O no hydrogen 3.108 N/A ILE 14.A N ASP 10.A O no hydrogen 3.116 N/A ALA 15.A N VAL 11.A O no hydrogen 2.921 N/A TYR 16.A N THR 12.A O no hydrogen 3.013 N/A ALA 17.A N GLU 13.A O no hydrogen 2.955 N/A LEU 18.A N ILE 14.A O no hydrogen 3.029 N/A LEU 18.A N ALA 15.A O no hydrogen 3.246 N/A GLY 19.A N TYR 16.A O no hydrogen 2.967 N/A ALA 20.A N ALA 15.A O no hydrogen 3.128 N/A GLU 23.A N ALA 20.A O no hydrogen 2.858 N/A ILE 24.A N GLY 21.A O no hydrogen 3.167 N/A VAL 25.A N ILE 4.A O no hydrogen 2.794 N/A ARG 27.A N PRO 41.A O no hydrogen 3.060 N/A ARG 27.A NE LEU 40.A O no hydrogen 3.157 N/A ARG 27.A NH1 ASP 28.A O no hydrogen 3.352 N/A ARG 27.A NH2 LEU 40.A O no hydrogen 3.017 N/A ASP 28.A N THR 6.A O no hydrogen 3.286 N/A SER 29.A N GLY 44.A O no hydrogen 2.985 N/A SER 29.A OG ASP 42.A OD1 no hydrogen 2.854 N/A SER 29.A OG ASP 42.A OD2 no hydrogen 2.688 N/A THR 30.A N ASP 28.A OD2 no hydrogen 2.988 N/A THR 30.A OG1 ASP 28.A OD2 no hydrogen 2.647 N/A SER 31.A N ASP 28.A O no hydrogen 3.106 N/A SER 31.A OG THR 12.A OG1 no hydrogen 2.698 N/A SER 31.A OG ASP 28.A OD1 no hydrogen 2.741 N/A GLN 32.A NE2 SER 29.A O no hydrogen 3.032 N/A ALA 37.A N PRO 34.A O no hydrogen 2.919 N/A GLN 38.A N GLN 35.A O no hydrogen 2.983 N/A GLN 38.A NE2 GLN 32.A O no hydrogen 2.800 N/A LYS 39.A N ALA 36.A O no hydrogen 3.152 N/A LEU 40.A N ALA 37.A O no hydrogen 3.121 N/A VAL 43.A N ARG 27.A O no hydrogen 2.807 N/A GLY 44.A N ASP 42.A OD1 no hydrogen 2.828 N/A THR 48.A N TYR 45.A O no hydrogen 3.022 N/A LEU 49.A N GLN 69.A O no hydrogen 2.930 N/A GLU 52.A N GLU 52.A OE1 no hydrogen 2.828 N/A GLY 53.A N ASN 50.A OD1 no hydrogen 2.791 N/A ILE 54.A N ALA 51.A O no hydrogen 3.106 N/A LEU 55.A N ALA 51.A O no hydrogen 2.809 N/A ALA 56.A N GLU 52.A O no hydrogen 2.839 N/A MET 57.A N ILE 54.A O no hydrogen 2.967 N/A LYS 58.A N LEU 55.A O no hydrogen 2.885 N/A THR 60.A N ARG 3.A O no hydrogen 2.759 N/A THR 60.A OG1 ARG 3.A O no hydrogen 3.214 N/A MET 61.A N ARG 3.A O no hydrogen 3.213 N/A LEU 62.A N ASN 83.A O no hydrogen 2.849 N/A LEU 63.A N VAL 5.A O no hydrogen 2.932 N/A VAL 64.A N VAL 85.A O no hydrogen 2.934 N/A SER 65.A N ILE 7.A O no hydrogen 2.925 N/A GLU 66.A N VAL 87.A O no hydrogen 2.810 N/A LEU 67.A N SER 65.A OG no hydrogen 3.139 N/A ALA 68.A N SER 65.A O no hydrogen 2.995 N/A GLN 69.A N MET 46.A O no hydrogen 2.953 N/A VAL 73.A N PRO 70.A O no hydrogen 3.023 N/A THR 75.A N SER 71.A O no hydrogen 3.300 N/A THR 75.A OG1 SER 71.A O no hydrogen 3.499 N/A GLN 76.A N LEU 72.A O no hydrogen 2.922 N/A ILE 77.A N VAL 73.A O no hydrogen 2.965 N/A ALA 78.A N LEU 74.A O no hydrogen 2.938 N/A SER 79.A N THR 75.A O no hydrogen 2.986 N/A SER 79.A OG THR 75.A O no hydrogen 3.131 N/A SER 80.A N GLN 76.A O no hydrogen 3.239 N/A SER 80.A N ILE 77.A O no hydrogen 3.059 N/A SER 80.A OG ILE 77.A O no hydrogen 2.702 N/A GLY 81.A N ALA 78.A O no hydrogen 3.061 N/A ASN 83.A N THR 60.A O no hydrogen 3.035 N/A VAL 85.A N LEU 62.A O no hydrogen 2.847 N/A VAL 87.A N VAL 64.A O no hydrogen 2.855 N/A GLY 89.A N GLU 66.A OE1 no hydrogen 3.110 N/A GLN 90.A NE2 GLU 66.A OE1 no hydrogen 3.521 N/A THR 92.A OG1 GLU 94.A OE1 no hydrogen 3.443 N/A GLU 94.A N GLU 94.A OE1 no hydrogen 2.687 N/A SER 95.A N THR 92.A O no hydrogen 3.004 N/A SER 95.A N THR 92.A OG1 no hydrogen 3.131 N/A SER 95.A OG GLN 90.A O no hydrogen 2.833 N/A LYS 99.A N SER 95.A O no hydrogen 2.904 N/A LYS 99.A NZ ASP 10.A OD2 no hydrogen 2.758 N/A LYS 99.A NZ PHE 235.A O no hydrogen 2.796 N/A ILE 100.A N VAL 96.A O no hydrogen 2.944 N/A ASN 101.A N ALA 97.A O no hydrogen 2.921 N/A ALA 102.A N MET 98.A O no hydrogen 2.989 N/A VAL 103.A N LYS 99.A O no hydrogen 3.070 N/A ALA 104.A N ILE 100.A O no hydrogen 2.837 N/A THR 105.A N ASN 101.A O no hydrogen 2.948 N/A THR 105.A OG1 ASN 101.A O no hydrogen 2.952 N/A ALA 106.A N ALA 102.A O no hydrogen 3.235 N/A LEU 107.A N VAL 103.A O no hydrogen 2.967 N/A HIS 108.A N THR 105.A O no hydrogen 3.185 N/A GLN 109.A N ALA 104.A O no hydrogen 2.876 N/A GLY 113.A N GLN 109.A O no hydrogen 2.952 N/A GLN 114.A N THR 110.A O no hydrogen 2.864 N/A LYS 115.A N GLU 111.A O no hydrogen 3.114 N/A LEU 116.A N LYS 112.A O no hydrogen 2.957 N/A ILE 117.A N GLY 113.A O no hydrogen 2.925 N/A GLU 118.A N GLN 114.A O no hydrogen 2.957 N/A ASP 119.A N LYS 115.A O no hydrogen 3.007 N/A TYR 120.A N LEU 116.A O no hydrogen 2.935 N/A TYR 120.A OH PRO 93.A O no hydrogen 2.823 N/A GLN 121.A N ILE 117.A O no hydrogen 2.851 N/A GLN 122.A N GLU 118.A O no hydrogen 3.103 N/A ARG 123.A N ASP 119.A O no hydrogen 2.991 N/A ARG 123.A NE ASP 119.A OD1 no hydrogen 2.960 N/A ARG 123.A NH1 LEU 237.A O no hydrogen 3.270 N/A ARG 123.A NH1 GLN 241.A OE1 no hydrogen 2.860 N/A ARG 123.A NH2 LEU 237.A O no hydrogen 2.868 N/A LEU 124.A N TYR 120.A O no hydrogen 2.830 N/A ALA 125.A N GLN 121.A O no hydrogen 2.961 N/A ALA 126.A N GLN 122.A O no hydrogen 3.103 N/A VAL 127.A N LEU 124.A O no hydrogen 3.134 N/A THR 130.A N ASN 128.A OD1 no hydrogen 2.964 N/A THR 130.A OG1 ASN 128.A OD1 no hydrogen 2.675 N/A LEU 132.A N GLY 164.A O no hydrogen 2.905 N/A VAL 134.A N LEU 132.A O no hydrogen 2.876 N/A LYS 135.A N ASP 189.A OD2 no hydrogen 2.882 N/A VAL 136.A N SER 166.A O no hydrogen 2.829 N/A LEU 137.A N LEU 190.A O no hydrogen 3.054 N/A VAL 139.A N LEU 192.A O no hydrogen 3.127 N/A MET 140.A N MET 148.A O no hydrogen 2.883 N/A MET 148.A N MET 140.A O no hydrogen 2.883 N/A ALA 149.A N ARG 176.A O no hydrogen 2.809 N/A ALA 150.A N PHE 138.A O no hydrogen 3.152 N/A GLY 151.A N ARG 174.A O no hydrogen 2.794 N/A GLN 152.A N PHE 172.A O no hydrogen 2.844 N/A GLN 152.A NE2 ASP 157.A OD2 no hydrogen 3.033 N/A GLN 152.A NE2 MET 169.A O no hydrogen 2.931 N/A ASN 153.A ND2 SER 173.A OG no hydrogen 2.788 N/A THR 154.A OG1 GLY 151.A O no hydrogen 2.843 N/A ASP 157.A N THR 154.A OG1 no hydrogen 3.077 N/A ALA 158.A N THR 154.A O no hydrogen 3.198 N/A MET 159.A N ALA 155.A O no hydrogen 2.996 N/A ILE 160.A N ALA 156.A O no hydrogen 2.936 N/A ARG 161.A N ASP 157.A O no hydrogen 2.977 N/A ARG 161.A NE ASP 157.A OD1 no hydrogen 2.786 N/A ARG 161.A NH2 ASP 157.A OD1 no hydrogen 3.105 N/A ALA 162.A N ALA 158.A O no hydrogen 2.961 N/A ALA 163.A N MET 159.A O no hydrogen 3.188 N/A ALA 163.A N ILE 160.A O no hydrogen 3.282 N/A GLY 164.A N ARG 161.A O no hydrogen 2.946 N/A GLY 165.A N ILE 160.A O no hydrogen 2.960 N/A SER 166.A N VAL 134.A O no hydrogen 2.973 N/A ASN 167.A ND2 ALA 150.A O no hydrogen 3.114 N/A ASN 167.A ND2 ASP 157.A OD2 no hydrogen 2.940 N/A ALA 168.A N VAL 136.A O no hydrogen 2.837 N/A MET 169.A N ASN 167.A OD1 no hydrogen 2.904 N/A GLN 170.A NE2 ASN 167.A O no hydrogen 2.894 N/A GLY 171.A N GLN 152.A OE1 no hydrogen 3.027 N/A ARG 174.A N GLN 152.A O no hydrogen 2.924 N/A ARG 174.A NH1 ASN 153.A O no hydrogen 2.943 N/A ARG 176.A N ALA 149.A O no hydrogen 3.082 N/A LEU 178.A N PRO 147.A O no hydrogen 3.141 N/A GLU 181.A N GLU 181.A OE1 no hydrogen 2.883 N/A GLY 182.A N SER 179.A OG no hydrogen 3.143 N/A VAL 183.A N SER 179.A O no hydrogen 2.935 N/A ILE 184.A N GLN 180.A O no hydrogen 3.000 N/A ALA 185.A N GLU 181.A O no hydrogen 2.927 N/A SER 186.A N GLY 182.A O no hydrogen 2.903 N/A SER 186.A OG VAL 183.A O no hydrogen 2.772 N/A ALA 187.A N VAL 183.A O no hydrogen 3.165 N/A ALA 187.A N ILE 184.A O no hydrogen 3.133 N/A ASP 189.A N LYS 135.A O no hydrogen 2.822 N/A LEU 190.A N LYS 135.A O no hydrogen 3.243 N/A LEU 191.A N ARG 223.A O no hydrogen 3.049 N/A LEU 192.A N LEU 137.A O no hydrogen 2.848 N/A ILE 193.A N LEU 225.A O no hydrogen 3.107 N/A THR 194.A OG1 ASP 229.A OD2 no hydrogen 2.577 N/A THR 195.A N VAL 227.A O no hydrogen 3.003 N/A THR 195.A OG1 ASP 229.A OD1 no hydrogen 3.170 N/A ASP 196.A N ASP 229.A OD1 no hydrogen 2.970 N/A GLY 197.A N THR 194.A OG1 no hydrogen 2.972 N/A VAL 198.A N THR 194.A O no hydrogen 2.977 N/A LYS 199.A N THR 195.A O no hydrogen 2.917 N/A ALA 200.A N ASP 196.A O no hydrogen 2.940 N/A LEU 201.A N GLY 197.A O no hydrogen 3.164 N/A GLY 202.A N VAL 198.A O no hydrogen 2.864 N/A GLY 202.A N LYS 199.A O no hydrogen 3.025 N/A ASN 206.A N SER 203.A O no hydrogen 3.209 N/A ASN 206.A N SER 203.A OG no hydrogen 3.299 N/A ASN 206.A ND2 LEU 201.A O no hydrogen 2.757 N/A ILE 207.A N SER 204.A O no hydrogen 3.070 N/A TRP 208.A N GLU 205.A O no hydrogen 3.138 N/A LYS 209.A N ASN 206.A O no hydrogen 3.174 N/A LEU 210.A N ILE 207.A O no hydrogen 3.146 N/A MET 213.A N LEU 210.A O no hydrogen 3.052 N/A LEU 215.A N GLY 212.A O no hydrogen 2.949 N/A THR 216.A N MET 213.A O no hydrogen 3.351 N/A THR 216.A OG1 MET 213.A O no hydrogen 2.714 N/A ALA 218.A N PRO 188.A O no hydrogen 2.937 N/A GLY 219.A N THR 216.A OG1 no hydrogen 2.950 N/A LYS 220.A N THR 216.A O no hydrogen 2.912 N/A HIS 221.A N PRO 217.A O no hydrogen 3.385 N/A LYS 222.A N GLY 219.A O no hydrogen 3.175 N/A LYS 222.A NZ GLU 205.A OE2 no hydrogen 2.610 N/A ARG 223.A N ALA 218.A O no hydrogen 2.871 N/A LEU 225.A N LEU 191.A O no hydrogen 2.908 N/A VAL 227.A N ILE 193.A O no hydrogen 2.995 N/A ALA 231.A N ASP 228.A OD2 no hydrogen 3.046 N/A LEU 232.A N ASP 228.A O no hydrogen 2.921 N/A LEU 233.A N ASP 229.A O no hydrogen 2.896 N/A GLY 234.A N MET 230.A O no hydrogen 2.881 N/A THR 239.A N GLY 236.A O no hydrogen 3.090 N/A THR 239.A OG1 GLY 236.A O no hydrogen 2.781 N/A GLN 241.A N GLN 241.A OE1 no hydrogen 2.753 N/A VAL 242.A N GLU 238.A O no hydrogen 3.056 N/A LEU 243.A N THR 239.A O no hydrogen 2.907 N/A ALA 244.A N PRO 240.A O no hydrogen 2.857 N/A GLN 245.A N GLN 241.A O no hydrogen 3.069 N/A LEU 246.A N VAL 242.A O no hydrogen 2.882 N/A ARG 247.A N LEU 243.A O no hydrogen 2.830 N/A ARG 247.A NE GLU 251.A OE2 no hydrogen 2.779 N/A ARG 247.A NH1 THR 130.A O no hydrogen 2.683 N/A ARG 247.A NH1 ALA 163.A O no hydrogen 3.002 N/A ARG 247.A NH2 THR 130.A O no hydrogen 3.442 N/A ARG 247.A NH2 THR 130.A OG1 no hydrogen 3.213 N/A GLU 248.A N ALA 244.A O no hydrogen 2.973 N/A LYS 249.A N GLN 245.A O no hydrogen 2.962 N/A MET 250.A N LEU 246.A O no hydrogen 3.009 N/A GLU 251.A N ARG 247.A O no hydrogen 2.844 N/A GLN 252.A N GLU 248.A O no hydrogen 2.856 N/A