Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3ri3_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 1.A N GLY 25.A O no hydrogen 3.475 N/A VAL 3.A N ASP 80.A OD2 no hydrogen 2.912 N/A ALA 4.A N ARG 27.A O no hydrogen 2.792 N/A LEU 5.A N VAL 81.A O no hydrogen 2.798 N/A VAL 6.A N PHE 29.A O no hydrogen 2.902 N/A THR 7.A N VAL 83.A O no hydrogen 3.145 N/A ALA 9.A N CYS 31.A O no hydrogen 3.054 N/A LEU 15.A N SER 11.A O no hydrogen 3.246 N/A GLU 16.A N GLY 12.A O no hydrogen 3.072 N/A ILE 17.A N ILE 13.A O no hydrogen 2.871 N/A ALA 18.A N GLY 14.A O no hydrogen 2.953 N/A ARG 19.A N LEU 15.A O no hydrogen 2.851 N/A ARG 19.A NE GLU 44.A OE2 no hydrogen 3.121 N/A ARG 19.A NH1 GLU 16.A OE1 no hydrogen 2.639 N/A ARG 19.A NH2 GLU 44.A OE2 no hydrogen 3.023 N/A ARG 20.A N GLU 16.A O no hydrogen 2.813 N/A ARG 20.A NE GLU 24.A OE2 no hydrogen 3.045 N/A ARG 20.A NH1 GLU 229.A OE2 no hydrogen 2.633 N/A ARG 20.A NH2 GLU 24.A OE2 no hydrogen 3.276 N/A ARG 20.A NH2 GLU 229.A OE1 no hydrogen 3.537 N/A ARG 20.A NH2 GLU 229.A OE2 no hydrogen 3.395 N/A LEU 21.A N ILE 17.A O no hydrogen 2.856 N/A GLY 22.A N ALA 18.A O no hydrogen 2.971 N/A LYS 23.A N ARG 19.A O no hydrogen 3.039 N/A LYS 23.A NZ ALA 48.A O no hydrogen 3.480 N/A GLU 24.A N ARG 20.A O no hydrogen 3.048 N/A GLY 25.A N GLY 22.A O no hydrogen 2.967 N/A LEU 26.A N LEU 21.A O no hydrogen 3.039 N/A ARG 27.A N GLU 2.A O no hydrogen 2.715 N/A ARG 27.A NE SER 1.A O no hydrogen 3.153 N/A ARG 27.A NH1 TYR 76.A O no hydrogen 2.821 N/A ARG 27.A NH2 SER 1.A O no hydrogen 2.671 N/A VAL 28.A N GLU 51.A O no hydrogen 2.903 N/A PHE 29.A N ALA 4.A O no hydrogen 2.776 N/A VAL 30.A N ASP 53.A O no hydrogen 3.009 N/A CYS 31.A N VAL 6.A O no hydrogen 3.159 N/A LEU 38.A N GLY 34.A O no hydrogen 2.924 N/A ARG 39.A N GLU 35.A O no hydrogen 2.933 N/A ARG 39.A NH2 GLU 36.A OE2 no hydrogen 2.813 N/A THR 40.A N GLU 36.A O no hydrogen 2.976 N/A THR 40.A OG1 GLU 36.A O no hydrogen 2.846 N/A THR 41.A N GLY 37.A O no hydrogen 2.971 N/A THR 41.A OG1 GLY 37.A O no hydrogen 3.093 N/A LEU 42.A N LEU 38.A O no hydrogen 2.887 N/A LYS 43.A N ARG 39.A O no hydrogen 3.036 N/A GLU 44.A N THR 40.A O no hydrogen 3.197 N/A LEU 45.A N THR 41.A O no hydrogen 2.968 N/A ARG 46.A N LEU 42.A O no hydrogen 3.019 N/A ARG 46.A NE ALA 52.A O no hydrogen 3.147 N/A ARG 46.A NH2 ALA 52.A O no hydrogen 3.206 N/A GLU 47.A N LYS 43.A O no hydrogen 2.944 N/A ALA 48.A N GLU 44.A O no hydrogen 3.103 N/A GLY 49.A N ARG 46.A O no hydrogen 2.831 N/A VAL 50.A N LEU 45.A O no hydrogen 2.995 N/A ASP 53.A N VAL 28.A O no hydrogen 2.976 N/A GLY 54.A N ASP 53.A OD1 no hydrogen 2.782 N/A ARG 55.A N VAL 30.A O no hydrogen 3.216 N/A CYS 57.A N ALA 32.A O no hydrogen 3.030 N/A CYS 57.A SG ASP 58.A O no hydrogen 3.830 N/A CYS 57.A SG GLU 64.A O no hydrogen 3.257 N/A ASP 58.A N GLU 64.A OE1 no hydrogen 2.827 N/A ARG 60.A N ASP 58.A OD1 no hydrogen 2.981 N/A ARG 60.A NE ASP 58.A OD1 no hydrogen 2.925 N/A ARG 60.A NE ASP 58.A OD2 no hydrogen 3.313 N/A ARG 60.A NH1 ASP 104.A OD1 no hydrogen 2.943 N/A ARG 60.A NH1 ASP 104.A OD2 no hydrogen 3.306 N/A ARG 60.A NH2 ASP 58.A OD2 no hydrogen 2.675 N/A SER 61.A N ASP 58.A O no hydrogen 2.965 N/A GLU 64.A N SER 61.A OG no hydrogen 3.289 N/A ILE 65.A N SER 61.A O no hydrogen 3.064 N/A GLU 66.A N VAL 62.A O no hydrogen 2.922 N/A ALA 67.A N PRO 63.A O no hydrogen 2.994 N/A LEU 68.A N GLU 64.A O no hydrogen 2.898 N/A VAL 69.A N ILE 65.A O no hydrogen 3.036 N/A ALA 70.A N GLU 66.A O no hydrogen 3.109 N/A ALA 71.A N ALA 67.A O no hydrogen 2.909 N/A VAL 72.A N LEU 68.A O no hydrogen 3.057 N/A VAL 73.A N VAL 69.A O no hydrogen 3.010 N/A GLU 74.A N ALA 70.A O no hydrogen 2.863 N/A ARG 75.A N ALA 71.A O no hydrogen 2.891 N/A ARG 75.A NE ASP 53.A OD2 no hydrogen 2.774 N/A ARG 75.A NH1 ARG 75.A O no hydrogen 3.177 N/A TYR 76.A N VAL 72.A O no hydrogen 2.834 N/A TYR 76.A OH GLU 51.A OE1 no hydrogen 2.705 N/A GLY 77.A N VAL 72.A O no hydrogen 3.271 N/A VAL 79.A N GLY 124.A O no hydrogen 2.994 N/A ASP 80.A N VAL 3.A O no hydrogen 2.900 N/A VAL 81.A N VAL 3.A O no hydrogen 2.962 N/A LEU 82.A N ARG 133.A O no hydrogen 2.820 N/A VAL 83.A N LEU 5.A O no hydrogen 2.862 N/A ASN 84.A N VAL 135.A O no hydrogen 2.862 N/A ASN 85.A N THR 7.A OG1 no hydrogen 2.826 N/A ASN 85.A ND2 THR 7.A O no hydrogen 3.298 N/A ALA 86.A N THR 7.A OG1 no hydrogen 3.024 N/A ARG 88.A NE LEU 89.A O no hydrogen 2.723 N/A ARG 88.A NH1 LEU 89.A O no hydrogen 3.171 N/A ARG 88.A NH2 ASP 104.A OD2 no hydrogen 2.665 N/A GLY 92.A N HIS 148.A O no hydrogen 2.771 N/A GLU 96.A N ALA 93.A O no hydrogen 3.051 N/A LEU 97.A N THR 94.A O no hydrogen 3.185 N/A LEU 101.A N ALA 98.A O no hydrogen 3.069 N/A TRP 102.A N ALA 98.A O no hydrogen 3.303 N/A LEU 103.A N ASP 99.A O no hydrogen 3.063 N/A ASP 104.A N GLU 100.A O no hydrogen 2.915 N/A VAL 105.A N LEU 101.A O no hydrogen 3.003 N/A VAL 106.A N TRP 102.A O no hydrogen 3.065 N/A GLU 107.A N LEU 103.A O no hydrogen 2.814 N/A THR 108.A N ASP 104.A O no hydrogen 2.955 N/A THR 108.A OG1 ASP 104.A O no hydrogen 2.824 N/A ASN 109.A N VAL 105.A O no hydrogen 2.970 N/A LEU 110.A N VAL 106.A O no hydrogen 2.923 N/A THR 111.A N VAL 106.A O no hydrogen 3.111 N/A THR 111.A OG1 GLU 107.A O no hydrogen 2.543 N/A GLY 112.A N GLU 107.A O no hydrogen 2.856 N/A PHE 114.A N LEU 110.A O no hydrogen 3.273 N/A ARG 115.A N THR 111.A O no hydrogen 2.824 N/A ARG 115.A NH1 GLU 107.A OE2 no hydrogen 3.140 N/A VAL 116.A N GLY 112.A O no hydrogen 3.014 N/A THR 117.A N VAL 113.A O no hydrogen 3.054 N/A THR 117.A OG1 ASN 84.A OD1 no hydrogen 2.920 N/A THR 117.A OG1 VAL 113.A O no hydrogen 2.785 N/A LYS 118.A N PHE 114.A O no hydrogen 2.867 N/A GLN 119.A N ARG 115.A O no hydrogen 3.188 N/A VAL 120.A N VAL 116.A O no hydrogen 2.940 N/A LEU 121.A N THR 117.A O no hydrogen 2.901 N/A LYS 122.A N LYS 118.A O no hydrogen 3.160 N/A GLY 124.A N GLN 119.A O no hydrogen 3.013 N/A GLY 125.A N LYS 122.A O no hydrogen 3.126 N/A MET 126.A N VAL 120.A O no hydrogen 3.470 N/A LEU 127.A N LEU 121.A O no hydrogen 3.045 N/A ARG 129.A N GLY 125.A O no hydrogen 3.220 N/A ARG 129.A NH1 THR 131.A O no hydrogen 3.298 N/A ARG 129.A NH2 ASP 80.A OD1 no hydrogen 2.505 N/A GLY 130.A N MET 126.A O no hydrogen 2.807 N/A ARG 133.A N ASP 80.A O no hydrogen 2.800 N/A ARG 133.A NE LEU 234.A O no hydrogen 3.183 N/A ARG 133.A NH1 GLY 132.A O no hydrogen 3.497 N/A ARG 133.A NH2 GLY 236.A O no hydrogen 3.201 N/A ILE 134.A N THR 176.A O no hydrogen 2.890 N/A VAL 135.A N LEU 82.A O no hydrogen 2.855 N/A ASN 136.A N ASN 178.A O no hydrogen 2.832 N/A ASN 136.A ND2 THR 163.A OG1 no hydrogen 2.791 N/A ILE 137.A N ASN 84.A O no hydrogen 2.842 N/A ALA 138.A N VAL 180.A O no hydrogen 2.744 N/A THR 140.A N PRO 182.A O no hydrogen 3.107 N/A GLY 141.A N SER 139.A OG no hydrogen 2.737 N/A GLY 142.A N SER 139.A O no hydrogen 2.754 N/A LYS 143.A N THR 140.A O no hydrogen 2.961 N/A LYS 143.A NZ ALA 246.A O no hydrogen 2.849 N/A LYS 143.A NZ ASN 248.A OD1 no hydrogen 2.719 N/A LYS 143.A NZ TYR 256.A O no hydrogen 2.733 N/A GLN 144.A N THR 140.A O no hydrogen 3.137 N/A VAL 146.A N SER 153.A OG no hydrogen 3.015 N/A ALA 149.A N VAL 146.A O no hydrogen 2.982 N/A SER 153.A N ALA 149.A O no hydrogen 2.867 N/A SER 153.A OG GLN 144.A O no hydrogen 3.467 N/A ALA 154.A N ALA 150.A O no hydrogen 2.810 N/A SER 155.A N PRO 151.A O no hydrogen 2.896 N/A SER 155.A OG ASN 109.A OD1 no hydrogen 3.214 N/A SER 155.A OG PRO 151.A O no hydrogen 3.193 N/A SER 155.A OG TYR 152.A O no hydrogen 2.968 N/A LYS 156.A N TYR 152.A O no hydrogen 2.839 N/A LYS 156.A NZ ILE 137.A O no hydrogen 3.003 N/A LYS 156.A NZ ALA 138.A O no hydrogen 3.284 N/A HIS 157.A N SER 153.A O no hydrogen 2.841 N/A GLY 158.A N ALA 154.A O no hydrogen 2.956 N/A VAL 159.A N SER 155.A O no hydrogen 3.033 N/A VAL 160.A N LYS 156.A O no hydrogen 3.165 N/A GLY 161.A N HIS 157.A O no hydrogen 2.996 N/A PHE 162.A N GLY 158.A O no hydrogen 2.857 N/A THR 163.A N VAL 159.A O no hydrogen 2.891 N/A THR 163.A OG1 VAL 159.A O no hydrogen 2.706 N/A LYS 164.A N VAL 160.A O no hydrogen 3.015 N/A ALA 165.A N GLY 161.A O no hydrogen 3.027 N/A LEU 166.A N PHE 162.A O no hydrogen 2.964 N/A GLY 167.A N THR 163.A O no hydrogen 2.968 N/A LEU 168.A N LYS 164.A O no hydrogen 2.953 N/A GLU 169.A N ALA 165.A O no hydrogen 3.020 N/A LEU 170.A N LEU 166.A O no hydrogen 2.953 N/A LEU 170.A N GLY 167.A O no hydrogen 3.238 N/A ALA 171.A N LEU 168.A O no hydrogen 3.100 N/A THR 173.A N LEU 170.A O no hydrogen 3.011 N/A THR 173.A OG1 LEU 170.A O no hydrogen 2.788 N/A GLY 174.A N GLY 130.A O no hydrogen 2.936 N/A ILE 175.A N THR 173.A OG1 no hydrogen 2.858 N/A THR 176.A N GLY 132.A O no hydrogen 3.193 N/A VAL 177.A N THR 243.A OG1 no hydrogen 3.182 N/A ASN 178.A N ILE 134.A O no hydrogen 2.879 N/A ASN 178.A ND2 GLN 245.A O no hydrogen 3.669 N/A ALA 179.A N GLN 245.A O no hydrogen 2.831 N/A VAL 180.A N ASN 136.A O no hydrogen 2.889 N/A CYS 181.A N LEU 247.A O no hydrogen 2.786 N/A GLY 183.A N VAL 249.A O no hydrogen 2.990 N/A GLU 186.A N VAL 222.A O no hydrogen 2.957 N/A ALA 191.A N THR 187.A O no hydrogen 2.931 N/A SER 192.A N PRO 188.A O no hydrogen 2.921 N/A SER 192.A OG MET 189.A O no hydrogen 3.131 N/A VAL 193.A N MET 189.A O no hydrogen 3.217 N/A ARG 194.A N ALA 190.A O no hydrogen 2.875 N/A GLU 195.A N ALA 191.A O no hydrogen 2.828 N/A HIS 196.A N SER 192.A O no hydrogen 2.909 N/A TYR 197.A N VAL 193.A O no hydrogen 2.861 N/A SER 198.A N ARG 194.A O no hydrogen 2.800 N/A SER 198.A OG VAL 203.A O no hydrogen 2.766 N/A ASP 199.A N GLU 195.A O no hydrogen 2.996 N/A ILE 200.A N HIS 196.A O no hydrogen 2.687 N/A TRP 201.A N TYR 197.A O no hydrogen 2.868 N/A ALA 208.A N SER 204.A O no hydrogen 2.924 N/A PHE 209.A N THR 205.A O no hydrogen 2.949 N/A ASP 210.A N GLU 206.A O no hydrogen 3.027 N/A ARG 211.A N GLU 207.A O no hydrogen 2.915 N/A ARG 211.A NE GLU 207.A OE1 no hydrogen 3.019 N/A ILE 212.A N ALA 208.A O no hydrogen 2.975 N/A THR 213.A N PHE 209.A O no hydrogen 2.911 N/A THR 213.A OG1 PHE 209.A O no hydrogen 3.042 N/A THR 213.A OG1 ASP 210.A O no hydrogen 3.520 N/A ALA 214.A N ASP 210.A O no hydrogen 3.290 N/A ARG 215.A N ILE 212.A O no hydrogen 2.808 N/A VAL 216.A N THR 213.A O no hydrogen 3.138 N/A ILE 218.A N GLY 251.A O no hydrogen 3.161 N/A GLY 219.A N VAL 216.A O no hydrogen 2.700 N/A ARG 220.A NH1 TYR 221.A O no hydrogen 2.821 N/A ARG 220.A NH1 GLU 226.A OE1 no hydrogen 2.861 N/A ARG 220.A NH1 GLU 226.A OE2 no hydrogen 3.538 N/A ARG 220.A NH2 GLU 226.A OE2 no hydrogen 2.781 N/A VAL 222.A N PHE 184.A O no hydrogen 2.851 N/A GLN 223.A N GLU 226.A OE1 no hydrogen 2.761 N/A GLU 226.A N GLN 223.A O no hydrogen 2.830 N/A VAL 227.A N GLN 223.A O no hydrogen 3.310 N/A ALA 228.A N PRO 224.A O no hydrogen 2.933 N/A GLU 229.A N SER 225.A O no hydrogen 2.828 N/A MET 230.A N GLU 226.A O no hydrogen 3.285 N/A VAL 231.A N VAL 227.A O no hydrogen 3.155 N/A ALA 232.A N ALA 228.A O no hydrogen 2.814 N/A TYR 233.A N GLU 229.A O no hydrogen 3.042 N/A LEU 234.A N MET 230.A O no hydrogen 3.057 N/A ILE 235.A N VAL 231.A O no hydrogen 3.095 N/A GLY 236.A N TYR 233.A O no hydrogen 3.167 N/A ALA 239.A N GLY 236.A O no hydrogen 3.191 N/A ALA 240.A N PRO 237.A O no hydrogen 3.357 N/A VAL 242.A N ALA 239.A O no hydrogen 2.980 N/A ALA 244.A N VAL 177.A O no hydrogen 2.795 N/A GLN 245.A NE2 THR 243.A O no hydrogen 3.072 N/A LEU 247.A N ALA 179.A O no hydrogen 2.901 N/A VAL 249.A N CYS 181.A O no hydrogen 2.992 N/A LEU 253.A N CYS 250.A O no hydrogen 3.300 N/A TYR 256.A OH LYS 143.A O no hydrogen 3.036 N/A