Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3ai3_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLY 4.A N ASP 2.A OD1 no hydrogen 3.004 N/A GLY 7.A N GLY 31.A O no hydrogen 2.792 N/A LYS 8.A N ILE 5.A O no hydrogen 3.054 N/A VAL 9.A N ASP 87.A OD2 no hydrogen 2.791 N/A ALA 10.A N HIS 33.A O no hydrogen 2.913 N/A VAL 11.A N ILE 88.A O no hydrogen 2.847 N/A ILE 12.A N VAL 35.A O no hydrogen 2.999 N/A THR 13.A N VAL 90.A O no hydrogen 2.975 N/A THR 13.A OG1 VAL 90.A O no hydrogen 3.506 N/A SER 15.A N VAL 37.A O no hydrogen 3.179 N/A SER 15.A OG ILE 12.A O no hydrogen 2.658 N/A LEU 21.A N SER 17.A O no hydrogen 3.321 N/A ALA 22.A N GLY 18.A O no hydrogen 3.184 N/A ILE 23.A N ILE 19.A O no hydrogen 2.870 N/A ALA 24.A N GLY 20.A O no hydrogen 2.939 N/A GLU 25.A N LEU 21.A O no hydrogen 2.923 N/A GLY 26.A N ALA 22.A O no hydrogen 2.912 N/A PHE 27.A N ILE 23.A O no hydrogen 2.987 N/A ALA 28.A N ALA 24.A O no hydrogen 2.958 N/A LYS 29.A N GLU 25.A O no hydrogen 2.932 N/A GLU 30.A N PHE 27.A O no hydrogen 2.974 N/A GLY 31.A N ALA 28.A O no hydrogen 2.900 N/A ALA 32.A N PHE 27.A O no hydrogen 3.166 N/A HIS 33.A N LYS 8.A O no hydrogen 2.796 N/A ILE 34.A N ARG 58.A O no hydrogen 2.868 N/A VAL 35.A N ALA 10.A O no hydrogen 2.785 N/A LEU 36.A N LEU 60.A O no hydrogen 2.761 N/A VAL 37.A N SER 15.A OG no hydrogen 3.210 N/A ALA 38.A N VAL 62.A O no hydrogen 3.256 N/A ARG 43.A N ASP 42.A OD1 no hydrogen 2.631 N/A ARG 43.A NH1 SER 17.A OG no hydrogen 3.006 N/A LEU 44.A N GLN 40.A O no hydrogen 3.325 N/A HIS 45.A N VAL 41.A O no hydrogen 2.954 N/A GLU 46.A N ASP 42.A O no hydrogen 3.154 N/A ALA 47.A N ARG 43.A O no hydrogen 2.914 N/A ALA 48.A N LEU 44.A O no hydrogen 3.068 N/A ARG 49.A N HIS 45.A O no hydrogen 2.904 N/A SER 50.A N GLU 46.A O no hydrogen 2.879 N/A LEU 51.A N ALA 47.A O no hydrogen 2.996 N/A LYS 52.A N ALA 48.A O no hydrogen 2.992 N/A GLU 53.A N ARG 49.A O no hydrogen 3.022 N/A LYS 54.A N SER 50.A O no hydrogen 2.908 N/A PHE 55.A N LEU 51.A O no hydrogen 2.875 N/A GLY 56.A N LYS 52.A O no hydrogen 2.854 N/A ARG 58.A N HIS 33.A ND1 no hydrogen 3.047 N/A ARG 58.A NH2 SER 82.A O no hydrogen 3.061 N/A LEU 60.A N ILE 34.A O no hydrogen 2.893 N/A VAL 62.A N LEU 36.A O no hydrogen 2.819 N/A VAL 64.A N ALA 38.A O no hydrogen 2.978 N/A ALA 67.A N ASP 65.A OD1 no hydrogen 2.953 N/A THR 68.A N ASP 65.A O no hydrogen 3.243 N/A THR 68.A OG1 ASP 65.A O no hydrogen 2.821 N/A GLU 70.A N GLU 70.A OE1 no hydrogen 2.879 N/A GLY 71.A N THR 68.A OG1 no hydrogen 3.031 N/A VAL 72.A N THR 68.A O no hydrogen 3.064 N/A ASP 73.A N PRO 69.A O no hydrogen 2.845 N/A ALA 74.A N GLU 70.A O no hydrogen 2.978 N/A VAL 75.A N GLY 71.A O no hydrogen 3.128 N/A VAL 76.A N VAL 72.A O no hydrogen 3.080 N/A GLU 77.A N ASP 73.A O no hydrogen 2.923 N/A SER 78.A N ALA 74.A O no hydrogen 2.911 N/A VAL 79.A N VAL 75.A O no hydrogen 2.917 N/A ARG 80.A N VAL 76.A O no hydrogen 3.024 N/A SER 81.A N GLU 77.A O no hydrogen 2.942 N/A SER 81.A OG GLU 77.A O no hydrogen 2.877 N/A SER 81.A OG GLU 77.A OE1 no hydrogen 3.056 N/A SER 82.A N SER 78.A O no hydrogen 3.123 N/A PHE 83.A N VAL 79.A O no hydrogen 2.826 N/A GLY 84.A N ARG 80.A O no hydrogen 2.948 N/A ASP 87.A N VAL 9.A O no hydrogen 2.858 N/A ILE 88.A N VAL 9.A O no hydrogen 2.998 N/A LEU 89.A N ALA 138.A O no hydrogen 2.943 N/A VAL 90.A N VAL 11.A O no hydrogen 2.820 N/A ASN 91.A N ILE 140.A O no hydrogen 2.897 N/A ASN 92.A N THR 13.A OG1 no hydrogen 2.775 N/A ASN 92.A ND2 ASN 142.A OD1 no hydrogen 2.875 N/A ALA 93.A N THR 13.A OG1 no hydrogen 2.958 N/A SER 97.A N GLU 154.A OE1 no hydrogen 3.072 N/A SER 97.A OG GLU 99.A OE1 no hydrogen 3.349 N/A SER 97.A OG GLU 99.A OE2 no hydrogen 2.560 N/A ASN 98.A N GLU 99.A OE1 no hydrogen 2.938 N/A GLU 99.A N TYR 153.A O no hydrogen 3.073 N/A GLU 103.A N THR 100.A O no hydrogen 3.314 N/A GLU 103.A N THR 100.A OG1 no hydrogen 3.199 N/A ALA 104.A N THR 100.A O no hydrogen 2.990 N/A GLU 107.A N GLU 107.A OE2 no hydrogen 2.735 N/A LYS 108.A N ALA 105.A O no hydrogen 2.974 N/A LYS 108.A NZ GLU 99.A OE1 no hydrogen 2.685 N/A TRP 109.A N ALA 105.A O no hydrogen 3.483 N/A GLN 110.A N ASP 106.A O no hydrogen 2.993 N/A PHE 111.A N GLU 107.A O no hydrogen 2.955 N/A TYR 112.A N LYS 108.A O no hydrogen 3.195 N/A TYR 112.A OH GLY 96.A O no hydrogen 2.635 N/A TRP 113.A N TRP 109.A O no hydrogen 3.060 N/A GLU 114.A N GLN 110.A O no hydrogen 2.933 N/A LEU 115.A N PHE 111.A O no hydrogen 3.053 N/A LEU 116.A N TYR 112.A O no hydrogen 2.908 N/A VAL 117.A N TRP 113.A O no hydrogen 3.067 N/A MET 118.A N TRP 113.A O no hydrogen 2.898 N/A ALA 119.A N GLU 114.A O no hydrogen 3.052 N/A VAL 121.A N VAL 117.A O no hydrogen 3.085 N/A ARG 122.A N MET 118.A O no hydrogen 2.878 N/A ARG 122.A NH1 GLU 114.A OE1 no hydrogen 2.767 N/A ARG 122.A NH2 GLU 114.A OE1 no hydrogen 2.938 N/A LEU 123.A N ALA 119.A O no hydrogen 2.802 N/A ALA 124.A N ALA 120.A O no hydrogen 2.979 N/A ARG 125.A N VAL 121.A O no hydrogen 3.026 N/A GLY 126.A N ARG 122.A O no hydrogen 2.962 N/A LEU 127.A N LEU 123.A O no hydrogen 2.854 N/A VAL 128.A N ALA 124.A O no hydrogen 2.889 N/A MET 131.A N LEU 127.A O no hydrogen 3.065 N/A ARG 132.A N VAL 128.A O no hydrogen 2.761 N/A ARG 132.A NH1 ASP 178.A OD2 no hydrogen 2.826 N/A ALA 133.A N PRO 129.A O no hydrogen 3.082 N/A ARG 134.A N GLY 130.A O no hydrogen 3.038 N/A ARG 134.A N MET 131.A O no hydrogen 3.022 N/A ARG 134.A NE ASP 87.A OD1 no hydrogen 2.888 N/A ARG 134.A NH1 PHE 83.A O no hydrogen 3.312 N/A ARG 134.A NH2 ASP 87.A OD1 no hydrogen 3.485 N/A ARG 134.A NH2 ASP 87.A OD2 no hydrogen 2.882 N/A GLY 135.A N ARG 132.A O no hydrogen 2.963 N/A GLY 136.A N MET 131.A O no hydrogen 3.010 N/A GLY 137.A N ASN 179.A O no hydrogen 2.985 N/A ALA 138.A N ASP 87.A O no hydrogen 2.995 N/A ILE 139.A N ARG 181.A O no hydrogen 2.925 N/A ILE 140.A N LEU 89.A O no hydrogen 2.867 N/A HIS 141.A N ASN 183.A O no hydrogen 2.955 N/A HIS 141.A ND1 SER 168.A OG no hydrogen 2.933 N/A ASN 142.A N ASN 91.A O no hydrogen 2.957 N/A ALA 143.A N ILE 185.A O no hydrogen 2.916 N/A SER 144.A N ASN 186.A OD1 no hydrogen 3.040 N/A ILE 145.A N PRO 187.A O no hydrogen 2.856 N/A CYS 146.A N SER 144.A OG no hydrogen 2.959 N/A CYS 146.A SG GLU 154.A OE2 no hydrogen 3.646 N/A ALA 147.A N SER 144.A O no hydrogen 2.960 N/A VAL 148.A N ILE 145.A O no hydrogen 3.115 N/A GLN 149.A N ILE 145.A O no hydrogen 2.872 N/A GLN 149.A NE2 MET 259.A O no hydrogen 3.085 N/A LEU 151.A N ASN 158.A OD1 no hydrogen 3.218 N/A GLU 154.A N LEU 151.A O no hydrogen 3.295 N/A ILE 156.A N GLU 99.A OE2 no hydrogen 3.084 N/A TYR 157.A N SER 97.A OG no hydrogen 3.067 N/A ASN 158.A N GLU 154.A O no hydrogen 2.909 N/A ASN 158.A ND2 LEU 151.A O no hydrogen 2.897 N/A VAL 159.A N PRO 155.A O no hydrogen 2.926 N/A THR 160.A N ILE 156.A O no hydrogen 3.009 N/A THR 160.A OG1 ILE 156.A O no hydrogen 2.827 N/A THR 160.A OG1 TYR 157.A O no hydrogen 3.478 N/A LYS 161.A N TYR 157.A O no hydrogen 2.811 N/A LYS 161.A NZ ASN 142.A O no hydrogen 2.939 N/A LYS 161.A NZ ALA 143.A O no hydrogen 3.035 N/A ALA 162.A N ASN 158.A O no hydrogen 2.893 N/A ALA 163.A N VAL 159.A O no hydrogen 2.992 N/A LEU 164.A N THR 160.A O no hydrogen 2.946 N/A MET 165.A N LYS 161.A O no hydrogen 2.933 N/A MET 166.A N ALA 162.A O no hydrogen 3.061 N/A PHE 167.A N ALA 163.A O no hydrogen 2.762 N/A SER 168.A N LEU 164.A O no hydrogen 2.867 N/A SER 168.A OG HIS 141.A ND1 no hydrogen 2.933 N/A LYS 169.A N MET 165.A O no hydrogen 3.354 N/A LYS 169.A NZ GLY 250.A O no hydrogen 2.839 N/A THR 170.A N MET 166.A O no hydrogen 2.986 N/A THR 170.A OG1 PHE 167.A O no hydrogen 2.945 N/A LEU 171.A N PHE 167.A O no hydrogen 2.838 N/A ALA 172.A N SER 168.A O no hydrogen 2.883 N/A THR 173.A N LYS 169.A O no hydrogen 3.273 N/A THR 173.A OG1 THR 170.A O no hydrogen 3.168 N/A GLU 174.A N THR 170.A O no hydrogen 3.286 N/A VAL 175.A N LEU 171.A O no hydrogen 2.994 N/A ILE 176.A N ALA 172.A O no hydrogen 3.230 N/A LYS 177.A NZ ASP 178.A OD1 no hydrogen 2.984 N/A ASP 178.A N VAL 175.A O no hydrogen 2.812 N/A ASN 179.A N ILE 176.A O no hydrogen 2.901 N/A ASN 179.A ND2 GLY 135.A O no hydrogen 2.886 N/A ILE 180.A N VAL 175.A O no hydrogen 3.333 N/A ARG 181.A N GLY 137.A O no hydrogen 2.860 N/A ARG 181.A NH1 LEU 240.A O no hydrogen 3.151 N/A ARG 181.A NH1 SER 248.A O no hydrogen 3.437 N/A ARG 181.A NH2 LEU 240.A O no hydrogen 3.030 N/A ASN 183.A N ILE 139.A O no hydrogen 2.958 N/A ASN 183.A ND2 SER 248.A O no hydrogen 3.012 N/A CYS 184.A N SER 251.A O no hydrogen 2.823 N/A CYS 184.A SG HIS 141.A O no hydrogen 3.644 N/A CYS 184.A SG ILE 185.A O no hydrogen 3.903 N/A CYS 184.A SG ASN 186.A OD1 no hydrogen 3.410 N/A ILE 185.A N HIS 141.A O no hydrogen 2.850 N/A ASN 186.A N TYR 253.A O no hydrogen 2.901 N/A GLY 188.A N VAL 255.A O no hydrogen 3.014 N/A LEU 191.A N ALA 228.A O no hydrogen 2.820 N/A THR 192.A OG1 ILE 190.A O no hydrogen 3.474 N/A TRP 195.A N THR 192.A O no hydrogen 3.076 N/A LYS 197.A N PRO 193.A O no hydrogen 2.982 N/A THR 198.A N ASP 194.A O no hydrogen 2.832 N/A THR 198.A OG1 ASP 194.A O no hydrogen 2.971 N/A ALA 199.A N TRP 195.A O no hydrogen 2.881 N/A LYS 200.A N ILE 196.A O no hydrogen 2.987 N/A GLU 201.A N LYS 197.A O no hydrogen 2.990 N/A LEU 202.A N THR 198.A O no hydrogen 2.837 N/A THR 203.A N ALA 199.A O no hydrogen 3.107 N/A THR 203.A N LYS 200.A O no hydrogen 3.285 N/A THR 203.A OG1 ALA 199.A O no hydrogen 2.886 N/A THR 203.A OG1 LYS 200.A O no hydrogen 3.523 N/A LYS 204.A N GLU 201.A O no hydrogen 3.344 N/A LYS 204.A NZ GLU 201.A OE2 no hydrogen 2.781 N/A ASN 206.A N THR 203.A O no hydrogen 3.265 N/A GLY 208.A N THR 203.A O no hydrogen 2.813 N/A TRP 210.A N GLY 208.A O no hydrogen 2.811 N/A GLY 212.A N ASP 209.A OD1 no hydrogen 2.958 N/A TYR 213.A N ASP 209.A O no hydrogen 3.096 N/A LEU 214.A N TRP 210.A O no hydrogen 3.027 N/A GLN 215.A N LYS 211.A O no hydrogen 2.915 N/A GLN 215.A NE2 ASP 219.A OD1 no hydrogen 2.932 N/A GLN 215.A NE2 LYS 225.A O no hydrogen 2.927 N/A SER 216.A N GLY 212.A O no hydrogen 2.960 N/A SER 216.A OG TYR 213.A O no hydrogen 2.641 N/A VAL 217.A N TYR 213.A O no hydrogen 2.994 N/A ALA 218.A N LEU 214.A O no hydrogen 2.960 N/A ASP 219.A N GLN 215.A O no hydrogen 2.804 N/A GLU 220.A N SER 216.A O no hydrogen 2.913 N/A HIS 221.A N VAL 217.A O no hydrogen 3.023 N/A ALA 222.A N ALA 218.A O no hydrogen 2.831 N/A ILE 224.A N GLY 257.A O no hydrogen 3.160 N/A LYS 225.A N ALA 222.A O no hydrogen 2.873 N/A ARG 226.A NH1 PHE 227.A O no hydrogen 3.087 N/A ARG 226.A NH1 GLU 232.A OE1 no hydrogen 3.499 N/A ARG 226.A NH1 GLU 232.A OE2 no hydrogen 2.850 N/A ARG 226.A NH2 GLU 232.A OE1 no hydrogen 2.837 N/A ALA 228.A N LEU 189.A O no hydrogen 2.903 N/A SER 229.A N GLU 232.A OE2 no hydrogen 3.076 N/A GLU 232.A N SER 229.A OG no hydrogen 2.996 N/A LEU 233.A N SER 229.A O no hydrogen 3.190 N/A ALA 234.A N PRO 230.A O no hydrogen 2.825 N/A ASN 235.A N GLU 231.A O no hydrogen 3.247 N/A PHE 236.A N LEU 233.A O no hydrogen 2.922 N/A VAL 238.A N ALA 234.A O no hydrogen 3.056 N/A PHE 239.A N ASN 235.A O no hydrogen 2.964 N/A LEU 240.A N PHE 236.A O no hydrogen 2.920 N/A CYS 241.A N PHE 237.A O no hydrogen 3.071 N/A CYS 241.A N VAL 238.A O no hydrogen 3.224 N/A CYS 241.A SG PHE 237.A O no hydrogen 3.493 N/A SER 242.A N PHE 239.A O no hydrogen 3.046 N/A SER 242.A OG PHE 239.A O no hydrogen 2.739 N/A GLU 243.A N MET 3.A O no hydrogen 2.904 N/A ARG 244.A N SER 242.A OG no hydrogen 2.952 N/A ARG 244.A NH1 ASP 2.A O no hydrogen 2.814 N/A ALA 245.A N SER 242.A O no hydrogen 3.282 N/A SER 248.A N ALA 245.A O no hydrogen 3.285 N/A SER 248.A OG TYR 253.A OH no hydrogen 2.835 N/A GLY 250.A N VAL 182.A O no hydrogen 2.805 N/A SER 251.A N ASN 183.A OD1 no hydrogen 3.000 N/A TYR 253.A N CYS 184.A O no hydrogen 2.838 N/A VAL 255.A N ASN 186.A O no hydrogen 2.982 N/A GLY 258.A N ASP 256.A OD1 no hydrogen 2.958 N/A MET 259.A N ASP 256.A O no hydrogen 3.025 N/A LYS 261.A N GLN 149.A OE1 no hydrogen 2.817 N/A LYS 261.A NZ HIS 221.A O no hydrogen 2.797 N/A LYS 261.A NZ MET 259.A O no hydrogen 2.701 N/A THR 262.A OG1 LEU 263.A OXT no hydrogen 3.463 N/A