Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2aun_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 5.A N SER 3.A OG no hydrogen 3.133 N/A GLN 5.A NE2 GLN 139.A O no hydrogen 3.330 N/A THR 6.A N SER 3.A O no hydrogen 3.056 N/A THR 6.A OG1 SER 3.A O no hydrogen 3.529 N/A GLN 8.A N SER 149.A OG no hydrogen 3.071 N/A ARG 13.A N ASP 74.A O no hydrogen 3.191 N/A ARG 13.A NE TYR 42.A O no hydrogen 2.953 N/A ARG 13.A NH1 TYR 42.A O no hydrogen 2.983 N/A VAL 14.A N ASP 41.A O no hydrogen 2.900 N/A ALA 15.A N ALA 77.A O no hydrogen 2.947 N/A LEU 16.A N HIS 43.A O no hydrogen 2.805 N/A SER 21.A N GLY 83.A O no hydrogen 3.060 N/A SER 21.A OG GLY 83.A O no hydrogen 3.270 N/A SER 21.A OG TYR 85.A O no hydrogen 3.502 N/A ALA 22.A N TYR 54.A O no hydrogen 2.952 N/A LEU 28.A N ALA 24.A O no hydrogen 3.034 N/A GLU 29.A N THR 25.A O no hydrogen 2.970 N/A ALA 30.A N GLU 26.A O no hydrogen 3.023 N/A THR 31.A N VAL 27.A O no hydrogen 2.935 N/A THR 31.A OG1 VAL 27.A O no hydrogen 2.803 N/A LEU 32.A N LEU 28.A O no hydrogen 3.059 N/A ARG 33.A N GLU 29.A O no hydrogen 3.072 N/A GLN 34.A N ALA 30.A O no hydrogen 3.128 N/A LEU 35.A N THR 31.A O no hydrogen 3.004 N/A GLU 36.A N LEU 32.A O no hydrogen 3.024 N/A VAL 37.A N ARG 33.A O no hydrogen 2.868 N/A HIS 38.A N GLN 34.A O no hydrogen 3.114 N/A HIS 38.A N LEU 35.A O no hydrogen 3.202 N/A HIS 38.A ND1 GLN 34.A O no hydrogen 3.130 N/A GLY 39.A N GLU 36.A O no hydrogen 3.004 N/A VAL 40.A N LEU 35.A O no hydrogen 2.905 N/A TYR 42.A OH GLU 36.A OE2 no hydrogen 2.661 N/A HIS 43.A N VAL 14.A O no hydrogen 2.849 N/A GLY 45.A N LEU 16.A O no hydrogen 2.995 N/A HIS 47.A N ASP 65.A OD1 no hydrogen 3.278 N/A HIS 47.A N ASP 65.A OD2 no hydrogen 2.944 N/A HIS 47.A ND1 ASP 65.A OD1 no hydrogen 3.112 N/A VAL 48.A N GLY 45.A O no hydrogen 3.173 N/A ALA 50.A N HIS 47.A O no hydrogen 2.946 N/A ARG 51.A NH1 ILE 23.A O no hydrogen 2.829 N/A ARG 51.A NH1 GLU 49.A O no hydrogen 3.154 N/A ARG 51.A NH2 ILE 23.A O no hydrogen 2.877 N/A TYR 52.A N LEU 55.A O no hydrogen 2.956 N/A LEU 55.A N TYR 52.A O no hydrogen 2.968 N/A ALA 56.A N ALA 20.A O no hydrogen 2.869 N/A GLY 57.A N LEU 55.A O no hydrogen 2.923 N/A THR 58.A N GLN 61.A OE1 no hydrogen 2.994 N/A GLN 61.A N THR 58.A OG1 no hydrogen 3.068 N/A ARG 62.A N THR 58.A O no hydrogen 2.987 N/A ARG 62.A NE GLY 57.A O no hydrogen 2.965 N/A ARG 62.A NH1 PRO 19.A O no hydrogen 3.032 N/A ARG 62.A NH1 GLY 86.A O no hydrogen 2.967 N/A ARG 62.A NH1 GLN 89.A OE1 no hydrogen 3.426 N/A ARG 62.A NH2 GLY 57.A O no hydrogen 3.154 N/A ARG 62.A NH2 GLN 89.A OE1 no hydrogen 2.812 N/A LEU 63.A N VAL 59.A O no hydrogen 2.861 N/A GLU 64.A N GLU 60.A O no hydrogen 2.982 N/A ASP 65.A N GLN 61.A O no hydrogen 3.222 N/A LEU 66.A N ARG 62.A O no hydrogen 2.958 N/A HIS 67.A N LEU 63.A O no hydrogen 2.857 N/A ASN 68.A N GLU 64.A O no hydrogen 2.911 N/A ALA 69.A N ASP 65.A O no hydrogen 3.084 N/A PHE 70.A N HIS 67.A O no hydrogen 3.010 N/A ASP 71.A N HIS 67.A O no hydrogen 3.012 N/A ASP 71.A N ASN 68.A O no hydrogen 3.154 N/A MET 72.A N ASN 68.A O no hydrogen 3.145 N/A THR 76.A N ARG 13.A O no hydrogen 2.833 N/A THR 76.A OG1 ASP 11.A O no hydrogen 2.679 N/A THR 76.A OG1 ARG 13.A O no hydrogen 3.569 N/A VAL 78.A N PRO 106.A O no hydrogen 2.855 N/A TRP 79.A N ALA 15.A O no hydrogen 2.812 N/A TRP 79.A NE1 PRO 131.A O no hydrogen 2.847 N/A CYS 80.A N ILE 108.A O no hydrogen 2.937 N/A LEU 81.A N ILE 17.A O no hydrogen 2.808 N/A ARG 82.A NH1 ALA 22.A O no hydrogen 2.801 N/A TYR 85.A N SER 21.A OG no hydrogen 2.986 N/A GLY 86.A N ASP 112.A OD1 no hydrogen 3.362 N/A CYS 87.A N ASP 112.A OD2 no hydrogen 2.929 N/A CYS 87.A SG ASP 112.A O no hydrogen 3.189 N/A CYS 87.A SG ASP 112.A OD2 no hydrogen 3.176 N/A GLN 89.A N GLY 86.A O no hydrogen 3.112 N/A GLN 89.A NE2 TYR 85.A OH no hydrogen 3.082 N/A LEU 90.A N CYS 87.A O no hydrogen 3.078 N/A LEU 91.A N GLY 88.A O no hydrogen 3.119 N/A LEU 94.A N LEU 91.A O no hydrogen 3.322 N/A ASP 95.A N HIS 67.A NE2 no hydrogen 2.984 N/A ARG 98.A N ASP 95.A OD1 no hydrogen 3.254 N/A ARG 98.A NE ASP 95.A OD2 no hydrogen 3.308 N/A ARG 98.A NH2 ASP 95.A OD2 no hydrogen 3.048 N/A LEU 99.A N ASP 95.A O no hydrogen 3.239 N/A GLU 100.A N TRP 96.A O no hydrogen 2.866 N/A ALA 101.A N GLY 97.A O no hydrogen 2.982 N/A ALA 102.A N LEU 99.A O no hydrogen 3.284 N/A ARG 105.A NE SER 103.A O no hydrogen 2.953 N/A ARG 105.A NH1 ALA 69.A O no hydrogen 2.767 N/A ARG 105.A NH1 MET 72.A O no hydrogen 2.736 N/A ARG 105.A NH2 MET 72.A O no hydrogen 3.459 N/A ARG 105.A NH2 SER 103.A OG no hydrogen 2.945 N/A LEU 107.A N PRO 126.A O no hydrogen 3.188 N/A ILE 108.A N VAL 78.A O no hydrogen 2.810 N/A GLY 109.A N ILE 128.A O no hydrogen 3.195 N/A ILE 113.A N PHE 110.A O no hydrogen 3.065 N/A SER 114.A N SER 111.A O no hydrogen 2.854 N/A SER 114.A OG SER 111.A O no hydrogen 2.742 N/A VAL 115.A N ASP 112.A O no hydrogen 3.053 N/A LEU 117.A N ILE 113.A O no hydrogen 2.938 N/A SER 118.A N SER 114.A O no hydrogen 2.994 N/A ALA 119.A N VAL 115.A O no hydrogen 3.160 N/A PHE 120.A N LEU 116.A O no hydrogen 2.837 N/A HIS 121.A N LEU 117.A O no hydrogen 2.947 N/A ARG 122.A N SER 118.A O no hydrogen 2.992 N/A HIS 123.A N ALA 119.A O no hydrogen 3.162 N/A HIS 123.A N PHE 120.A O no hydrogen 2.938 N/A HIS 123.A ND1 ALA 119.A O no hydrogen 2.849 N/A GLY 124.A N HIS 121.A O no hydrogen 2.995 N/A LEU 125.A N PHE 120.A O no hydrogen 2.909 N/A ILE 128.A N LEU 107.A O no hydrogen 2.749 N/A HIS 129.A N TRP 279.A O no hydrogen 2.821 N/A HIS 129.A NE2 GLU 204.A OE2 no hydrogen 2.671 N/A GLY 130.A N GLY 109.A O no hydrogen 3.017 N/A ALA 133.A N CYS 80.A O no hydrogen 2.952 N/A THR 134.A N LEU 81.A O no hydrogen 3.058 N/A THR 134.A OG1 LEU 81.A O no hydrogen 2.682 N/A GLY 135.A N VAL 132.A O no hydrogen 3.031 N/A LEU 136.A N ALA 133.A O no hydrogen 2.970 N/A GLY 137.A N THR 134.A O no hydrogen 3.045 N/A ALA 143.A N GLN 139.A O no hydrogen 2.998 N/A SER 144.A N GLU 140.A O no hydrogen 2.915 N/A SER 144.A OG GLU 140.A O no hydrogen 2.954 N/A SER 144.A OG ALA 274.A O no hydrogen 3.015 N/A LEU 145.A N ARG 141.A O no hydrogen 2.955 N/A ALA 146.A N LEU 142.A O no hydrogen 2.959 N/A SER 147.A N ALA 143.A O no hydrogen 3.042 N/A SER 147.A N SER 144.A O no hydrogen 3.238 N/A SER 147.A OG SER 144.A O no hydrogen 2.653 N/A VAL 148.A N LEU 145.A O no hydrogen 3.430 N/A SER 149.A OG GLN 8.A O no hydrogen 3.468 N/A SER 149.A OG ALA 146.A O no hydrogen 3.076 N/A ARG 150.A N ALA 146.A O no hydrogen 3.216 N/A ARG 150.A NE ASP 156.A OD2 no hydrogen 2.942 N/A ARG 150.A NH1 SER 2.A OG no hydrogen 2.867 N/A ARG 150.A NH1 THR 6.A O no hydrogen 3.039 N/A ARG 150.A NH2 ASP 156.A OD1 no hydrogen 2.991 N/A LEU 151.A N SER 147.A O no hydrogen 2.925 N/A LEU 152.A N VAL 148.A O no hydrogen 2.950 N/A ALA 153.A N SER 149.A O no hydrogen 3.091 N/A GLY 154.A N LEU 151.A O no hydrogen 2.954 N/A ILE 155.A N ARG 150.A O no hydrogen 3.155 N/A HIS 157.A ND1 TRP 294.A OXT no hydrogen 3.056 N/A LEU 159.A N LEU 292.A O no hydrogen 2.922 N/A VAL 161.A N ASN 290.A O no hydrogen 3.064 N/A GLN 162.A N HIS 266.A O no hydrogen 2.890 N/A HIS 163.A NE2 HIS 167.A O no hydrogen 3.016 N/A LEU 164.A N LEU 264.A O no hydrogen 2.827 N/A GLY 165.A N LEU 264.A O no hydrogen 2.991 N/A GLN 169.A N HIS 167.A ND1 no hydrogen 3.011 N/A ARG 170.A NH1 GLU 172.A OE1 no hydrogen 2.989 N/A ARG 170.A NH2 GLU 172.A OE1 no hydrogen 2.701 N/A VAL 171.A N LEU 287.A O no hydrogen 2.968 N/A GLY 173.A N ALA 285.A O no hydrogen 3.077 N/A LEU 175.A N LYS 283.A O no hydrogen 2.975 N/A ILE 176.A N ILE 200.A O no hydrogen 2.972 N/A GLY 177.A N TYR 281.A OH no hydrogen 3.040 N/A GLY 178.A N VAL 202.A O no hydrogen 2.949 N/A ASN 179.A N SER 114.A OG no hydrogen 3.148 N/A ASN 179.A ND2 ASP 205.A OD1 no hydrogen 3.044 N/A LEU 180.A N GLU 204.A O no hydrogen 2.823 N/A THR 181.A N ASP 205.A OD2 no hydrogen 2.938 N/A THR 181.A OG1 ASP 205.A OD1 no hydrogen 3.424 N/A THR 181.A OG1 ASP 205.A OD2 no hydrogen 2.574 N/A THR 181.A OG1 GLU 208.A OE2 no hydrogen 3.465 N/A ALA 182.A N ASN 179.A OD1 no hydrogen 2.878 N/A LEU 183.A N ASN 179.A O no hydrogen 3.135 N/A ALA 184.A N LEU 180.A O no hydrogen 2.940 N/A CYS 185.A N THR 181.A O no hydrogen 3.023 N/A CYS 185.A SG THR 181.A O no hydrogen 3.182 N/A MET 186.A N LEU 183.A O no hydrogen 3.039 N/A ALA 187.A N ALA 184.A O no hydrogen 3.114 N/A THR 189.A N MET 186.A O no hydrogen 3.148 N/A THR 189.A OG1 MET 186.A O no hydrogen 2.728 N/A GLY 191.A N THR 189.A OG1 no hydrogen 3.045 N/A GLY 192.A N THR 189.A O no hydrogen 3.107 N/A HIS 194.A N SER 118.A OG no hydrogen 2.896 N/A GLY 198.A N GLN 228.A O no hydrogen 2.789 N/A SER 199.A N PRO 196.A O no hydrogen 3.214 N/A SER 199.A OG PRO 196.A O no hydrogen 2.662 N/A ILE 200.A N ALA 174.A O no hydrogen 2.853 N/A LEU 201.A N ALA 231.A O no hydrogen 2.789 N/A VAL 202.A N ILE 176.A O no hydrogen 2.812 N/A LEU 203.A N CYS 233.A O no hydrogen 3.183 N/A GLU 204.A N GLY 178.A O no hydrogen 3.028 N/A ASP 205.A N SER 236.A O no hydrogen 3.245 N/A VAL 206.A N ASP 205.A OD1 no hydrogen 3.004 N/A GLY 207.A N THR 238.A O no hydrogen 2.978 N/A ARG 212.A N PRO 209.A O no hydrogen 3.151 N/A LEU 213.A N PRO 209.A O no hydrogen 3.292 N/A GLU 214.A N TYR 210.A O no hydrogen 2.885 N/A ARG 215.A N TYR 211.A O no hydrogen 2.974 N/A SER 216.A N ARG 212.A O no hydrogen 3.122 N/A SER 216.A OG ARG 212.A O no hydrogen 3.164 N/A LEU 217.A N LEU 213.A O no hydrogen 2.893 N/A TRP 218.A N GLU 214.A O no hydrogen 2.795 N/A GLN 219.A N ARG 215.A O no hydrogen 3.122 N/A LEU 220.A N SER 216.A O no hydrogen 2.755 N/A LEU 221.A N LEU 217.A O no hydrogen 2.950 N/A GLU 222.A N TRP 218.A O no hydrogen 2.975 N/A SER 223.A N GLN 219.A O no hydrogen 2.908 N/A SER 223.A N LEU 220.A O no hydrogen 3.163 N/A SER 223.A OG GLN 219.A O no hydrogen 3.262 N/A SER 223.A OG LEU 220.A O no hydrogen 2.818 N/A ALA 226.A N ILE 224.A O no hydrogen 2.876 N/A ARG 227.A NH1 GLU 261.A OE1 no hydrogen 2.838 N/A ARG 227.A NH2 GLU 261.A OE1 no hydrogen 2.857 N/A GLN 228.A N ASP 225.A O no hydrogen 3.207 N/A LEU 229.A N ALA 226.A O no hydrogen 3.043 N/A GLY 230.A N SER 199.A O no hydrogen 2.788 N/A ALA 231.A N SER 199.A O no hydrogen 3.279 N/A ILE 232.A N PRO 263.A O no hydrogen 2.903 N/A CYS 233.A N LEU 201.A O no hydrogen 2.791 N/A LEU 234.A N TYR 265.A O no hydrogen 2.828 N/A GLY 235.A N LEU 203.A O no hydrogen 2.912 N/A SER 236.A N SER 270.A O no hydrogen 2.914 N/A SER 236.A OG SER 270.A O no hydrogen 3.358 N/A THR 238.A N ASP 205.A O no hydrogen 3.187 N/A CYS 240.A SG THR 238.A O no hydrogen 3.531 N/A ARG 242.A NE VAL 245.A O no hydrogen 2.914 N/A ARG 242.A NH2 VAL 245.A O no hydrogen 3.222 N/A VAL 245.A N ARG 242.A O no hydrogen 3.039 N/A ARG 251.A N SER 248.A OG no hydrogen 2.967 N/A ILE 252.A N SER 248.A O no hydrogen 3.051 N/A PHE 253.A N LEU 249.A O no hydrogen 2.917 N/A GLY 254.A N GLU 250.A O no hydrogen 2.854 N/A GLU 255.A N ARG 251.A O no hydrogen 2.994 N/A TYR 256.A N ILE 252.A O no hydrogen 3.148 N/A TYR 256.A OH GLU 214.A OE2 no hydrogen 2.714 N/A ALA 257.A N PHE 253.A O no hydrogen 2.916 N/A ALA 258.A N GLY 254.A O no hydrogen 2.942 N/A ALA 259.A N GLU 255.A O no hydrogen 3.010 N/A ILE 260.A N TYR 256.A O no hydrogen 3.200 N/A GLU 261.A N ALA 258.A O no hydrogen 3.131 N/A VAL 262.A N ALA 257.A O no hydrogen 3.109 N/A LEU 264.A N GLY 165.A O no hydrogen 2.888 N/A TYR 265.A N ILE 232.A O no hydrogen 2.909 N/A HIS 266.A N GLN 162.A O no hydrogen 2.850 N/A HIS 266.A ND1 GLN 162.A O no hydrogen 3.220 N/A LEU 268.A N LEU 234.A O no hydrogen 3.054 N/A SER 270.A N LEU 268.A O no hydrogen 2.801 N/A SER 270.A OG GLU 204.A OE1 no hydrogen 2.947 N/A GLY 271.A N ASN 276.A OD1 no hydrogen 2.974 N/A ASN 276.A N SER 144.A OG no hydrogen 2.860 N/A ARG 277.A N PRO 269.A O no hydrogen 2.860 N/A ARG 277.A NH2 ASP 4.A OD2 no hydrogen 3.285 N/A ALA 278.A N SER 147.A OG no hydrogen 2.933 N/A TRP 279.A N HIS 129.A O no hydrogen 2.853 N/A TRP 279.A NE1 SER 270.A OG no hydrogen 3.053 N/A TYR 281.A N ALA 127.A O no hydrogen 2.739 N/A GLY 282.A N LEU 175.A O no hydrogen 2.715 N/A ALA 285.A N GLY 173.A O no hydrogen 2.892 N/A VAL 286.A N ARG 293.A O no hydrogen 2.774 N/A LEU 287.A N VAL 171.A O no hydrogen 2.840 N/A GLU 288.A N ARG 291.A O no hydrogen 3.148 N/A ARG 291.A N GLU 288.A O no hydrogen 3.120 N/A ARG 291.A NH1 ASN 290.A O no hydrogen 2.906 N/A LEU 292.A N LEU 159.A O no hydrogen 2.886 N/A ARG 293.A N VAL 286.A O no hydrogen 2.824 N/A TRP 294.A N HIS 157.A O no hydrogen 2.973 N/A