Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3kia_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TRP 4.A NE1 MET 226.A O no hydrogen 2.823 N/A PHE 5.A N ALA 1.A O no hydrogen 3.295 N/A ARG 6.A N ALA 2.A O no hydrogen 3.365 N/A GLN 7.A N GLU 3.A O no hydrogen 3.395 N/A ARG 8.A NE GLY 224.A O no hydrogen 2.943 N/A ARG 8.A NH1 GLN 7.A O no hydrogen 2.942 N/A SER 9.A N PHE 5.A O no hydrogen 3.323 N/A SER 9.A OG PHE 5.A O no hydrogen 2.779 N/A TYR 10.A N GLN 228.A O no hydrogen 2.883 N/A ASP 11.A N GLN 14.A OE1 no hydrogen 3.004 N/A TYR 12.A N ASP 230.A O no hydrogen 3.134 N/A GLY 13.A N ASP 11.A OD2 no hydrogen 2.842 N/A GLN 14.A N ASP 11.A O no hydrogen 2.948 N/A PHE 15.A N TYR 12.A O no hydrogen 3.038 N/A LEU 20.A N PRO 16.A O no hydrogen 3.191 N/A ALA 21.A N PRO 17.A O no hydrogen 2.903 N/A ARG 22.A N GLU 18.A O no hydrogen 3.055 N/A ARG 22.A NH2 ASP 19.A OD1 no hydrogen 3.345 N/A ARG 23.A N ASP 19.A O no hydrogen 2.769 N/A ARG 23.A NE LEU 141.A O no hydrogen 3.242 N/A LYS 24.A N LEU 20.A O no hydrogen 2.584 N/A ARG 25.A N ALA 21.A O no hydrogen 2.950 N/A GLU 26.A N ARG 22.A O no hydrogen 3.019 N/A LEU 27.A N ARG 23.A O no hydrogen 3.012 N/A LEU 27.A N LYS 24.A O no hydrogen 3.008 N/A GLY 28.A N LYS 24.A O no hydrogen 2.861 N/A GLY 28.A N ARG 25.A O no hydrogen 3.213 N/A THR 30.A N ASP 116.A OD2 no hydrogen 3.132 N/A THR 30.A OG1 ASP 116.A OD2 no hydrogen 3.392 N/A VAL 31.A N ASP 62.A OD2 no hydrogen 2.900 N/A SER 32.A N LEU 117.A O no hydrogen 2.988 N/A SER 32.A OG GLN 63.A OE1 no hydrogen 2.719 N/A ALA 33.A N GLN 63.A O no hydrogen 2.776 N/A VAL 34.A N LEU 119.A O no hydrogen 2.766 N/A LEU 35.A N LEU 65.A O no hydrogen 2.655 N/A SER 37.A N VAL 67.A O no hydrogen 2.992 N/A SER 37.A OG LEU 35.A O no hydrogen 2.920 N/A ASN 39.A N SER 71.A OG no hydrogen 2.852 N/A VAL 40.A N THR 75.A OG1 no hydrogen 2.827 N/A ALA 41.A N ASP 73.A OD2 no hydrogen 2.965 N/A THR 43.A N VAL 40.A O no hydrogen 2.813 N/A THR 43.A OG1 VAL 40.A O no hydrogen 3.216 N/A THR 43.A OG1 ALA 123.A O no hydrogen 2.945 N/A VAL 44.A N VAL 40.A O no hydrogen 2.999 N/A ILE 47.A N THR 43.A O no hydrogen 3.338 N/A ILE 48.A N VAL 44.A O no hydrogen 2.870 N/A ASP 49.A N GLY 45.A O no hydrogen 2.973 N/A GLU 50.A N GLY 46.A O no hydrogen 2.906 N/A ILE 51.A N ILE 47.A O no hydrogen 2.981 N/A HIS 52.A N ILE 48.A O no hydrogen 3.099 N/A ALA 53.A N ASP 49.A O no hydrogen 2.808 N/A LEU 54.A N GLU 50.A O no hydrogen 2.768 N/A ASN 55.A N ILE 51.A O no hydrogen 2.893 N/A ASN 55.A ND2 ILE 61.A O no hydrogen 3.180 N/A GLU 56.A N HIS 52.A O no hydrogen 3.147 N/A GLU 56.A N ALA 53.A O no hydrogen 3.126 N/A ARG 57.A N ALA 53.A O no hydrogen 3.348 N/A ALA 58.A N LEU 54.A O no hydrogen 2.673 N/A LEU 60.A N ASN 55.A OD1 no hydrogen 3.109 N/A ILE 61.A N ASN 55.A OD1 no hydrogen 2.919 N/A ASP 62.A N VAL 31.A O no hydrogen 2.818 N/A GLN 63.A N VAL 31.A O no hydrogen 3.233 N/A GLN 63.A NE2 GLU 85.A OE1 no hydrogen 2.971 N/A GLN 63.A NE2 VAL 112.A O no hydrogen 3.150 N/A LEU 65.A N ALA 33.A O no hydrogen 2.790 N/A VAL 66.A N GLU 85.A O no hydrogen 2.887 N/A VAL 67.A N LEU 35.A O no hydrogen 3.109 N/A ASP 68.A N TYR 87.A O no hydrogen 2.758 N/A ALA 69.A N SER 37.A O no hydrogen 2.755 N/A SER 71.A N ASP 68.A OD2 no hydrogen 2.953 N/A SER 71.A OG ASP 68.A OD1 no hydrogen 2.606 N/A GLY 74.A N SER 71.A O no hydrogen 3.241 N/A THR 75.A N ASP 73.A OD1 no hydrogen 3.056 N/A THR 75.A OG1 ASP 73.A OD1 no hydrogen 2.654 N/A THR 75.A OG1 ASP 73.A OD2 no hydrogen 3.328 N/A VAL 78.A N GLY 74.A O no hydrogen 3.231 N/A ALA 79.A N THR 75.A O no hydrogen 2.983 N/A ALA 80.A N ALA 76.A O no hydrogen 3.016 N/A SER 81.A N GLY 77.A O no hydrogen 2.833 N/A SER 81.A OG GLY 77.A O no hydrogen 3.056 N/A SER 81.A OG VAL 78.A O no hydrogen 2.799 N/A HIS 82.A N ALA 79.A O no hydrogen 3.054 N/A HIS 82.A ND1 ASP 49.A OD1 no hydrogen 2.807 N/A GLY 83.A N ALA 80.A O no hydrogen 2.956 N/A ALA 84.A N ALA 79.A O no hydrogen 3.194 N/A GLU 85.A N ILE 64.A O no hydrogen 3.003 N/A TYR 87.A N VAL 66.A O no hydrogen 3.012 N/A SER 88.A N GLU 91.A OE2 no hydrogen 2.962 N/A SER 88.A OG ASP 70.A OD1 no hydrogen 2.778 N/A GLU 89.A N ASP 68.A O no hydrogen 2.794 N/A ASN 90.A N SER 88.A OG no hydrogen 2.991 N/A ASN 90.A ND2 ASP 70.A OD2 no hydrogen 2.865 N/A GLU 91.A N SER 88.A O no hydrogen 3.068 N/A LEU 92.A N SER 88.A O no hydrogen 3.434 N/A TYR 96.A N MET 93.A O no hydrogen 2.844 N/A GLY 97.A N SER 94.A O no hydrogen 3.135 N/A ALA 99.A N ASN 90.A OD1 no hydrogen 2.819 N/A HIS 100.A N ASP 104.A OD2 no hydrogen 2.707 N/A LYS 102.A NZ GLU 210.A OE2 no hydrogen 3.243 N/A GLY 103.A N GLY 206.A O no hydrogen 2.987 N/A ALA 105.A N GLY 101.A O no hydrogen 3.217 N/A MET 106.A N LYS 102.A O no hydrogen 3.052 N/A TRP 107.A N GLY 103.A O no hydrogen 2.988 N/A ARG 108.A N ASP 104.A O no hydrogen 2.868 N/A ARG 108.A NE ASP 104.A OD1 no hydrogen 3.209 N/A ARG 108.A NH1 GLU 89.A O no hydrogen 3.059 N/A ARG 108.A NH1 LEU 92.A O no hydrogen 2.859 N/A ARG 108.A NH1 GLY 97.A O no hydrogen 2.917 N/A ARG 108.A NH2 GLY 97.A O no hydrogen 2.843 N/A ARG 108.A NH2 ASP 104.A OD2 no hydrogen 3.417 N/A ALA 109.A N ALA 105.A O no hydrogen 2.847 N/A LEU 110.A N TRP 107.A O no hydrogen 3.060 N/A SER 111.A N ARG 108.A O no hydrogen 3.137 N/A SER 111.A OG ARG 108.A O no hydrogen 2.737 N/A VAL 112.A N ALA 109.A O no hydrogen 3.053 N/A THR 113.A N ALA 109.A O no hydrogen 3.095 N/A THR 113.A N LEU 110.A O no hydrogen 3.243 N/A THR 113.A OG1 LEU 110.A O no hydrogen 3.434 N/A ARG 114.A N SER 32.A OG no hydrogen 3.304 N/A ARG 114.A N GLN 63.A OE1 no hydrogen 2.760 N/A ARG 114.A NH2 GLU 85.A OE2 no hydrogen 2.848 N/A GLY 115.A N SER 32.A OG no hydrogen 2.849 N/A ASP 116.A N THR 30.A OG1 no hydrogen 3.018 N/A LEU 117.A N THR 30.A O no hydrogen 2.937 N/A VAL 118.A N ALA 193.A O no hydrogen 2.920 N/A LEU 119.A N SER 32.A O no hydrogen 2.751 N/A TYR 120.A N PHE 191.A O no hydrogen 2.843 N/A TYR 120.A OH MET 106.A O no hydrogen 2.894 N/A ILE 121.A N VAL 34.A O no hydrogen 2.949 N/A ASP 122.A N GLU 190.A OE2 no hydrogen 3.257 N/A ARG 129.A NE ASP 127.A OD2 no hydrogen 3.529 N/A GLN 131.A N GLN 131.A OE1 no hydrogen 2.740 N/A GLN 131.A NE2 LEU 231.A O no hydrogen 3.281 N/A LEU 132.A N ARG 129.A O no hydrogen 2.985 N/A ALA 133.A N PRO 130.A O no hydrogen 2.929 N/A TYR 134.A N PRO 130.A O no hydrogen 3.290 N/A GLY 135.A N GLN 131.A O no hydrogen 2.899 N/A LEU 137.A N TYR 134.A O no hydrogen 2.969 N/A GLY 138.A N GLY 135.A O no hydrogen 3.005 N/A LEU 141.A N LEU 137.A O no hydrogen 3.087 N/A LEU 141.A N GLY 138.A O no hydrogen 3.059 N/A GLU 142.A N GLY 138.A O no hydrogen 2.893 N/A GLU 142.A N PRO 139.A O no hydrogen 3.291 N/A VAL 143.A N PRO 139.A O no hydrogen 2.874 N/A VAL 146.A N VAL 143.A O no hydrogen 3.376 N/A ARG 147.A N ALA 225.A O no hydrogen 2.807 N/A ARG 147.A NE ASP 194.A OD1 no hydrogen 3.226 N/A ARG 147.A NH2 ASP 194.A OD2 no hydrogen 2.728 N/A PHE 148.A N ALA 225.A O no hydrogen 3.188 N/A VAL 149.A N VAL 192.A O no hydrogen 2.989 N/A LYS 150.A N ALA 227.A O no hydrogen 2.894 N/A LYS 150.A NZ PRO 186.A O no hydrogen 2.955 N/A ALA 151.A N GLU 190.A O no hydrogen 3.076 N/A ALA 152.A N VAL 229.A O no hydrogen 2.828 N/A ARG 154.A N GLY 232.A O no hydrogen 2.948 N/A GLY 161.A N ASP 159.A OD1 no hydrogen 3.097 N/A ARG 163.A NH1 GLN 239.A O no hydrogen 3.334 N/A ARG 163.A NH2 GLN 239.A O no hydrogen 3.535 N/A GLU 166.A N GLY 162.A O no hydrogen 2.960 N/A LEU 167.A N ARG 163.A O no hydrogen 2.974 N/A THR 168.A N VAL 164.A O no hydrogen 2.898 N/A THR 168.A OG1 VAL 164.A O no hydrogen 3.373 N/A THR 168.A OG1 SER 248.A OG no hydrogen 2.933 N/A ALA 169.A N VAL 164.A O no hydrogen 2.923 N/A LYS 170.A N THR 165.A O no hydrogen 2.900 N/A LYS 170.A NZ GLY 160.A O no hydrogen 2.789 N/A LYS 170.A NZ VAL 184.A O no hydrogen 2.970 N/A LEU 172.A N THR 168.A O no hydrogen 3.156 N/A PHE 173.A N ALA 169.A O no hydrogen 2.753 N/A ASN 174.A N LYS 170.A O no hydrogen 2.924 N/A ASN 174.A ND2 LYS 170.A O no hydrogen 2.990 N/A LEU 175.A N LEU 172.A O no hydrogen 3.215 N/A PHE 176.A N LEU 172.A O no hydrogen 2.839 N/A TYR 177.A N PHE 173.A O no hydrogen 2.643 N/A TYR 177.A OH GLU 262.A OE1 no hydrogen 3.307 N/A TYR 177.A OH GLU 262.A OE2 no hydrogen 2.640 N/A LEU 180.A N TYR 177.A O no hydrogen 2.975 N/A ALA 181.A N PRO 178.A O no hydrogen 2.998 N/A PHE 183.A N LEU 180.A O no hydrogen 3.159 N/A VAL 184.A N GLN 228.A OE1 no hydrogen 3.116 N/A GLN 185.A NE2 TYR 153.A O no hydrogen 3.074 N/A ALA 188.A N GLN 185.A O no hydrogen 2.874 N/A PHE 191.A N TYR 120.A O no hydrogen 3.225 N/A VAL 192.A N VAL 149.A O no hydrogen 3.056 N/A ALA 193.A N VAL 118.A O no hydrogen 3.424 N/A ARG 195.A N ASP 116.A O no hydrogen 2.799 N/A ARG 195.A NE THR 113.A O no hydrogen 3.338 N/A LEU 197.A N ASP 194.A O no hydrogen 3.103 N/A LEU 197.A N ASP 194.A OD2 no hydrogen 3.210 N/A PHE 198.A N ASP 194.A O no hydrogen 3.389 N/A CYS 199.A N ARG 195.A O no hydrogen 3.065 N/A CYS 199.A SG ARG 195.A O no hydrogen 3.062 N/A SER 200.A N LEU 197.A O no hydrogen 3.132 N/A SER 200.A OG GLU 196.A O no hydrogen 3.075 N/A SER 200.A OG LEU 197.A O no hydrogen 3.005 N/A PHE 203.A N ARG 305.A O no hydrogen 3.004 N/A THR 205.A N VAL 303.A O no hydrogen 2.895 N/A THR 205.A OG1 VAL 303.A O no hydrogen 2.646 N/A GLY 206.A N HIS 100.A O no hydrogen 2.999 N/A GLY 212.A N ALA 208.A O no hydrogen 3.105 N/A ILE 213.A N VAL 209.A O no hydrogen 2.994 N/A MET 214.A N GLU 210.A O no hydrogen 3.162 N/A ILE 215.A N THR 211.A O no hydrogen 3.014 N/A ASP 216.A N GLY 212.A O no hydrogen 2.805 N/A VAL 217.A N ILE 213.A O no hydrogen 2.781 N/A LEU 218.A N MET 214.A O no hydrogen 3.184 N/A LYS 219.A N ILE 215.A O no hydrogen 3.025 N/A LYS 220.A N ASP 216.A O no hydrogen 3.072 N/A LYS 220.A N VAL 217.A O no hydrogen 3.042 N/A LYS 220.A NZ SER 200.A OG no hydrogen 2.950 N/A VAL 221.A N VAL 217.A O no hydrogen 2.890 N/A GLY 222.A N LEU 218.A O no hydrogen 2.926 N/A ALA 225.A N GLY 222.A O no hydrogen 3.084 N/A MET 226.A N LEU 223.A O no hydrogen 2.844 N/A ALA 227.A N PHE 148.A O no hydrogen 2.949 N/A GLN 228.A N ARG 8.A O no hydrogen 2.975 N/A GLN 228.A NE2 SER 9.A OG no hydrogen 2.936 N/A GLN 228.A NE2 GLY 182.A O no hydrogen 3.201 N/A VAL 229.A N LYS 150.A O no hydrogen 3.070 N/A ASP 230.A N TYR 10.A O no hydrogen 2.728 N/A LEU 231.A N ALA 152.A O no hydrogen 2.821 N/A GLY 232.A N ASP 230.A OD1 no hydrogen 2.908 N/A ARG 234.A N ARG 154.A O no hydrogen 2.944 N/A ARG 234.A NH2 THR 125.A OG1 no hydrogen 3.337 N/A ASP 243.A N HIS 240.A O no hydrogen 2.881 N/A LEU 244.A N HIS 240.A O no hydrogen 3.140 N/A SER 245.A N LEU 241.A O no hydrogen 3.240 N/A SER 245.A N ARG 242.A O no hydrogen 3.308 N/A SER 245.A OG TYR 283.A OH no hydrogen 2.661 N/A MET 247.A N ASP 243.A O no hydrogen 3.340 N/A SER 248.A N LEU 244.A O no hydrogen 2.860 N/A SER 248.A OG THR 168.A OG1 no hydrogen 2.933 N/A SER 248.A OG LEU 244.A O no hydrogen 3.125 N/A TYR 249.A N SER 245.A O no hydrogen 3.116 N/A TYR 249.A OH LEU 280.A O no hydrogen 2.623 N/A ALA 250.A N ARG 246.A O no hydrogen 3.098 N/A VAL 251.A N MET 247.A O no hydrogen 3.012 N/A VAL 252.A N SER 248.A O no hydrogen 2.826 N/A ARG 253.A N TYR 249.A O no hydrogen 2.735 N/A ALA 254.A N ALA 250.A O no hydrogen 2.926 N/A VAL 255.A N VAL 251.A O no hydrogen 3.082 N/A ALA 256.A N VAL 252.A O no hydrogen 2.762 N/A ARG 257.A N ARG 253.A O no hydrogen 2.788 N/A ARG 257.A NE GLU 304.A OE1 no hydrogen 3.231 N/A ARG 257.A NH2 LEU 302.A O no hydrogen 2.915 N/A ARG 258.A N ALA 254.A O no hydrogen 2.966 N/A ARG 258.A NE ASP 216.A OD1 no hydrogen 2.789 N/A ARG 258.A NE ASP 216.A OD2 no hydrogen 3.285 N/A ARG 258.A NH1 GLU 304.A OE2 no hydrogen 2.833 N/A ARG 258.A NH2 ASP 216.A OD2 no hydrogen 2.733 N/A ARG 258.A NH2 GLU 304.A OE2 no hydrogen 2.809 N/A LEU 259.A N VAL 255.A O no hydrogen 2.859 N/A ARG 260.A N ALA 256.A O no hydrogen 3.008 N/A GLN 261.A N ARG 257.A O no hydrogen 3.133 N/A GLU 262.A N ARG 258.A O no hydrogen 3.009 N/A GLY 263.A N ARG 260.A O no hydrogen 3.182 N/A ARG 264.A NE GLU 262.A OE1 no hydrogen 2.897 N/A ARG 264.A NH1 PHE 176.A O no hydrogen 3.283 N/A ARG 264.A NH2 PHE 176.A O no hydrogen 2.792 N/A ARG 264.A NH2 GLU 262.A OE1 no hydrogen 2.964 N/A LEU 265.A N LEU 259.A O no hydrogen 3.276 N/A ARG 269.A NH1 LEU 273.A O no hydrogen 3.482 N/A ARG 269.A NH2 GLU 275.A OE1 no hydrogen 2.533 N/A LEU 273.A N GLU 270.A O no hydrogen 3.264 N/A PHE 277.A N PRO 274.A O no hydrogen 3.211 N/A PHE 278.A N GLU 275.A O no hydrogen 2.786 N/A SER 281.A OG GLN 279.A OE1 no hydrogen 3.430 N/A ASP 282.A N GLN 279.A O no hydrogen 2.998 N/A TYR 283.A N TYR 298.A O no hydrogen 2.764 N/A TYR 283.A OH SER 245.A OG no hydrogen 2.661 N/A HIS 285.A N GLN 296.A O no hydrogen 2.819 N/A HIS 285.A ND1 GLN 296.A OE1 no hydrogen 3.253 N/A VAL 287.A N LYS 294.A O no hydrogen 2.917 N/A THR 289.A N GLY 292.A O no hydrogen 2.841 N/A THR 289.A OG1 GLU 291.A OE1 no hydrogen 3.481 N/A THR 289.A OG1 GLY 292.A O no hydrogen 2.913 N/A GLU 291.A N THR 289.A OG1 no hydrogen 3.122 N/A GLY 292.A N THR 289.A O no hydrogen 3.182 N/A LYS 294.A N VAL 287.A O no hydrogen 2.937 N/A TYR 298.A N TYR 283.A O no hydrogen 2.970 N/A TYR 298.A OH GLN 296.A OE1 no hydrogen 2.658 N/A GLU 300.A N SER 281.A O no hydrogen 2.951 N/A ARG 305.A N PHE 203.A O no hydrogen 2.843 N/A ARG 305.A NE ASP 104.A OD1 no hydrogen 2.937 N/A ARG 305.A NH2 ASP 104.A OD2 no hydrogen 2.761 N/A ASN 309.A N CYS 199.A O no hydrogen 3.077 N/A GLU 310.A N PRO 307.A O no hydrogen 2.968 N/A VAL 311.A N ILE 308.A O no hydrogen 3.166 N/A LEU 312.A N ILE 308.A O no hydrogen 2.871 N/A