Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8kh3_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 2.A OG ALA 35.A O no hydrogen 3.290 N/A ILE 3.A N TYR 291.A OH no hydrogen 3.365 N/A ASP 4.A N ASP 36.A O no hydrogen 3.200 N/A GLN 5.A N SER 2.A OG no hydrogen 3.060 N/A LEU 6.A N SER 2.A O no hydrogen 2.982 N/A ILE 7.A N ILE 3.A O no hydrogen 2.872 N/A LYS 8.A N ASP 4.A O no hydrogen 2.930 N/A LYS 8.A NZ ASP 4.A OD1 no hydrogen 2.902 N/A LYS 8.A NZ ASP 4.A OD2 no hydrogen 2.690 N/A ALA 9.A N GLN 5.A O no hydrogen 3.005 N/A ARG 10.A N LEU 6.A O no hydrogen 3.271 N/A ARG 10.A N ILE 7.A O no hydrogen 3.152 N/A ARG 10.A NH1 ASP 297.A O no hydrogen 3.474 N/A ARG 10.A NH1 LEU 298.A O no hydrogen 3.262 N/A GLY 11.A N LYS 8.A O no hydrogen 2.880 N/A LYS 12.A N ILE 7.A O no hydrogen 3.129 N/A LYS 12.A NZ CYS 252.A O no hydrogen 2.854 N/A LYS 12.A NZ VAL 255.A O no hydrogen 2.827 N/A LYS 12.A NZ CYS 258.A O no hydrogen 2.835 N/A VAL 13.A N VAL 259.A O no hydrogen 2.783 N/A PHE 15.A N ASP 4.A OD1 no hydrogen 2.945 N/A GLY 16.A N ILE 261.A O no hydrogen 2.624 N/A VAL 17.A N MET 39.A O no hydrogen 3.053 N/A ALA 18.A N VAL 263.A O no hydrogen 3.038 N/A THR 19.A N TRP 41.A O no hydrogen 2.768 N/A ASN 22.A ND2 GLU 43.A OE1 no hydrogen 3.471 N/A ARG 23.A N ASP 20.A O no hydrogen 3.029 N/A ARG 23.A NH2 THR 26.A OG1 no hydrogen 3.364 N/A LEU 24.A N ASP 20.A O no hydrogen 2.868 N/A THR 25.A N GLN 21.A O no hydrogen 3.156 N/A THR 25.A OG1 GLN 21.A O no hydrogen 2.775 N/A THR 26.A N ARG 23.A O no hydrogen 3.170 N/A THR 26.A OG1 ASN 22.A O no hydrogen 2.853 N/A THR 26.A OG1 ARG 23.A O no hydrogen 3.427 N/A ASN 29.A ND2 ARG 23.A O no hydrogen 3.000 N/A ASN 29.A ND2 THR 26.A O no hydrogen 3.031 N/A ILE 32.A N LYS 28.A O no hydrogen 2.978 N/A ILE 33.A N ASN 29.A O no hydrogen 2.818 N/A LYS 34.A N ALA 30.A O no hydrogen 2.863 N/A ALA 35.A N ALA 31.A O no hydrogen 3.049 N/A ASP 36.A N ILE 32.A O no hydrogen 2.800 N/A PHE 37.A N ILE 33.A O no hydrogen 3.237 N/A GLY 38.A N PHE 15.A O no hydrogen 2.832 N/A VAL 40.A N LEU 76.A O no hydrogen 2.961 N/A TRP 41.A N VAL 17.A O no hydrogen 3.143 N/A TRP 41.A NE1 ASP 124.A OD2 no hydrogen 3.038 N/A GLU 43.A N THR 19.A O no hydrogen 2.784 N/A ASN 44.A N ASP 20.A OD2 no hydrogen 2.912 N/A SER 45.A N ASP 20.A OD2 no hydrogen 3.021 N/A SER 45.A OG ASP 20.A OD1 no hydrogen 2.793 N/A GLN 47.A N ASN 44.A O no hydrogen 3.098 N/A GLN 47.A NE2 GLU 43.A O no hydrogen 3.312 N/A ASP 49.A N PHE 87.A O no hydrogen 2.741 N/A THR 51.A N GLN 47.A O no hydrogen 2.911 N/A THR 51.A OG1 GLN 47.A O no hydrogen 2.713 N/A GLU 52.A N TRP 48.A O no hydrogen 2.909 N/A GLY 56.A N GLU 52.A OE2 no hydrogen 2.814 N/A ASN 57.A N SER 54.A O no hydrogen 2.944 N/A ASN 57.A ND2 GLN 55.A O no hydrogen 2.763 N/A ASN 59.A N THR 51.A O no hydrogen 2.735 N/A ASN 59.A ND2 ALA 50.A O no hydrogen 2.846 N/A ASP 64.A N PHE 60.A O no hydrogen 2.726 N/A TYR 65.A N ALA 61.A O no hydrogen 2.913 N/A LEU 66.A N GLY 62.A O no hydrogen 3.273 N/A VAL 67.A N ALA 63.A O no hydrogen 2.949 N/A ASN 68.A N ASP 64.A O no hydrogen 2.889 N/A TRP 69.A N TYR 65.A O no hydrogen 2.844 N/A ALA 70.A N LEU 66.A O no hydrogen 2.891 N/A GLN 71.A N VAL 67.A O no hydrogen 2.956 N/A GLN 72.A N ASN 68.A O no hydrogen 2.904 N/A ASN 73.A N TRP 69.A O no hydrogen 3.035 N/A ASN 73.A N ALA 70.A O no hydrogen 3.086 N/A ASN 73.A ND2 TRP 69.A O no hydrogen 2.932 N/A GLY 74.A N GLN 71.A O no hydrogen 3.229 N/A LYS 75.A N ALA 70.A O no hydrogen 2.877 N/A LYS 75.A NZ ILE 33.A O no hydrogen 3.463 N/A LYS 75.A NZ LYS 34.A O no hydrogen 2.816 N/A LYS 75.A NZ PHE 37.A O no hydrogen 2.798 N/A LEU 76.A N GLY 38.A O no hydrogen 2.950 N/A GLY 78.A N VAL 40.A O no hydrogen 2.959 N/A ALA 79.A N THR 122.A O no hydrogen 2.897 N/A CYS 81.A N GLN 47.A OE1 no hydrogen 2.820 N/A CYS 81.A SG VAL 83.A O no hydrogen 3.670 N/A CYS 81.A SG ASP 124.A O no hydrogen 3.726 N/A LEU 82.A N ASP 124.A O no hydrogen 3.068 N/A TRP 84.A NE1 GLN 47.A OE1 no hydrogen 3.037 N/A ASN 86.A ND2 GLU 128.A OE1 no hydrogen 2.877 N/A TRP 91.A NE1 GLU 52.A O no hydrogen 3.139 N/A VAL 92.A N PRO 89.A O no hydrogen 2.974 N/A SER 93.A N PRO 89.A O no hydrogen 3.281 N/A SER 93.A OG PRO 89.A O no hydrogen 3.568 N/A SER 94.A N SER 90.A O no hydrogen 3.037 N/A SER 94.A OG SER 90.A O no hydrogen 2.913 N/A ILE 95.A N VAL 92.A O no hydrogen 3.131 N/A LYS 98.A NZ ILE 145.A O no hydrogen 3.398 N/A THR 100.A N ASP 97.A OD2 no hydrogen 2.975 N/A THR 100.A OG1 ASP 97.A OD2 no hydrogen 2.644 N/A LEU 101.A N ASP 97.A O no hydrogen 2.997 N/A ILE 102.A N LYS 98.A O no hydrogen 2.939 N/A ASN 103.A N ASN 99.A O no hydrogen 3.088 N/A VAL 104.A N THR 100.A O no hydrogen 2.979 N/A MET 105.A N LEU 101.A O no hydrogen 2.762 N/A LYS 106.A N ILE 102.A O no hydrogen 2.813 N/A ASN 107.A N ASN 103.A O no hydrogen 2.900 N/A HIS 108.A N VAL 104.A O no hydrogen 2.993 N/A HIS 108.A ND1 GLU 52.A OE1 no hydrogen 2.680 N/A ILE 109.A N MET 105.A O no hydrogen 2.983 N/A THR 110.A N LYS 106.A O no hydrogen 2.796 N/A THR 110.A OG1 LYS 106.A O no hydrogen 2.917 N/A THR 111.A N ASN 107.A O no hydrogen 2.940 N/A THR 111.A OG1 ASN 107.A O no hydrogen 2.708 N/A LEU 112.A N HIS 108.A O no hydrogen 3.303 N/A MET 113.A N ILE 109.A O no hydrogen 3.067 N/A THR 114.A N THR 110.A O no hydrogen 2.833 N/A THR 114.A OG1 THR 110.A O no hydrogen 2.807 N/A ARG 115.A N THR 111.A O no hydrogen 3.089 N/A ARG 115.A NE ASP 64.A OD1 no hydrogen 3.041 N/A ARG 115.A NH2 ASP 64.A OD1 no hydrogen 3.530 N/A ARG 115.A NH2 ASP 64.A OD2 no hydrogen 2.672 N/A TYR 116.A OH ASP 64.A OD1 no hydrogen 2.579 N/A LYS 117.A N THR 114.A O no hydrogen 3.172 N/A GLY 118.A N ASP 161.A OD2 no hydrogen 2.933 N/A LYS 119.A N TYR 116.A O no hydrogen 2.953 N/A ARG 121.A N ILE 77.A O no hydrogen 2.821 N/A ARG 121.A NH1 THR 122.A OG1 no hydrogen 3.057 N/A ARG 121.A NH1 GLU 229.A OE1 no hydrogen 3.021 N/A ARG 121.A NH2 GLU 229.A OE2 no hydrogen 2.792 N/A THR 122.A N ILE 77.A O no hydrogen 3.440 N/A TRP 123.A N LYS 165.A O no hydrogen 2.834 N/A ASP 124.A N ALA 79.A O no hydrogen 2.828 N/A VAL 125.A N TYR 167.A O no hydrogen 2.933 N/A VAL 126.A N TYR 167.A O no hydrogen 3.507 N/A GLY 127.A N VAL 83.A O no hydrogen 3.029 N/A GLU 128.A N MET 169.A O no hydrogen 2.926 N/A PHE 130.A N ASP 170.A OD1 no hydrogen 3.139 N/A ASN 131.A N SER 135.A O no hydrogen 2.705 N/A ASN 131.A ND2 SER 135.A OG no hydrogen 2.763 N/A GLY 134.A N ASN 131.A O no hydrogen 3.019 N/A SER 135.A N ASP 133.A OD1 no hydrogen 2.911 N/A SER 135.A OG ASP 133.A OD1 no hydrogen 2.870 N/A ARG 137.A N ALA 129.A O no hydrogen 2.682 N/A ARG 137.A NE GLU 128.A O no hydrogen 2.929 N/A ARG 137.A NH2 TYR 171.A OH no hydrogen 2.957 N/A ASN 139.A N ARG 137.A O no hydrogen 3.068 N/A ASN 139.A ND2 TYR 149.A OH no hydrogen 3.247 N/A LEU 142.A N ASN 139.A OD1 no hydrogen 2.878 N/A ASN 143.A N ASN 139.A O no hydrogen 2.758 N/A VAL 144.A N VAL 140.A O no hydrogen 2.831 N/A ILE 145.A N PHE 141.A O no hydrogen 2.754 N/A GLY 146.A N PHE 141.A O no hydrogen 3.181 N/A TYR 149.A N GLY 146.A O no hydrogen 3.022 N/A ILE 150.A N GLU 147.A O no hydrogen 3.466 N/A ILE 152.A N ASP 148.A O no hydrogen 3.028 N/A ALA 153.A N TYR 149.A O no hydrogen 2.948 N/A PHE 154.A N ILE 150.A O no hydrogen 3.088 N/A GLN 155.A N PRO 151.A O no hydrogen 2.833 N/A THR 156.A N ILE 152.A O no hydrogen 2.907 N/A THR 156.A OG1 ILE 152.A O no hydrogen 2.725 N/A ALA 157.A N ALA 153.A O no hydrogen 2.962 N/A ARG 158.A N PHE 154.A O no hydrogen 2.913 N/A ARG 158.A NH1 ASP 199.A OD2 no hydrogen 2.989 N/A ARG 158.A NH2 ASP 199.A OD1 no hydrogen 2.905 N/A ALA 159.A N GLN 155.A O no hydrogen 3.187 N/A ALA 160.A N THR 156.A O no hydrogen 3.099 N/A ALA 160.A N ALA 157.A O no hydrogen 2.993 N/A ASP 161.A N ALA 157.A O no hydrogen 3.141 N/A ASN 163.A N ASP 161.A OD1 no hydrogen 3.093 N/A ALA 164.A N ASP 161.A O no hydrogen 3.335 N/A LYS 165.A N ARG 121.A O no hydrogen 2.809 N/A LEU 166.A N ASP 199.A OD2 no hydrogen 2.794 N/A TYR 167.A N TRP 123.A O no hydrogen 2.884 N/A TYR 167.A OH GLU 229.A OE1 no hydrogen 2.530 N/A ILE 168.A N GLY 200.A O no hydrogen 3.017 N/A MET 169.A N VAL 126.A O no hydrogen 2.983 N/A ASP 170.A N GLY 202.A O no hydrogen 3.050 N/A TYR 171.A N ASP 170.A OD2 no hydrogen 2.801 N/A ASN 172.A ND2 GLU 132.A OE1 no hydrogen 2.771 N/A SER 177.A N SER 175.A OG no hydrogen 3.373 N/A SER 177.A OG SER 175.A OG no hydrogen 3.189 N/A TYR 178.A N SER 175.A O no hydrogen 3.106 N/A TYR 178.A OH GLU 132.A OE1 no hydrogen 2.513 N/A LYS 180.A NZ GLU 132.A OE2 no hydrogen 2.836 N/A LYS 180.A NZ ASP 170.A OD2 no hydrogen 3.045 N/A LYS 180.A NZ TYR 171.A O no hydrogen 2.817 N/A THR 181.A N TYR 178.A O no hydrogen 3.056 N/A THR 181.A OG1 SER 175.A O no hydrogen 2.955 N/A GLN 182.A NE2 GLN 182.A O no hydrogen 3.390 N/A GLN 182.A NE2 ASN 186.A OD1 no hydrogen 2.879 N/A ALA 183.A N PRO 179.A O no hydrogen 3.025 N/A ILE 184.A N LYS 180.A O no hydrogen 3.134 N/A VAL 185.A N THR 181.A O no hydrogen 3.301 N/A ASN 186.A N GLN 182.A O no hydrogen 2.848 N/A ARG 187.A N ALA 183.A O no hydrogen 2.849 N/A VAL 188.A N ILE 184.A O no hydrogen 2.863 N/A LYS 189.A N VAL 185.A O no hydrogen 3.001 N/A GLN 190.A N ASN 186.A O no hydrogen 3.278 N/A TRP 191.A N ARG 187.A O no hydrogen 2.933 N/A ARG 192.A N VAL 188.A O no hydrogen 2.863 N/A ARG 192.A NH1 ILE 198.A O no hydrogen 2.773 N/A ALA 193.A N LYS 189.A O no hydrogen 2.877 N/A ALA 194.A N GLN 190.A O no hydrogen 3.004 N/A ALA 194.A N TRP 191.A O no hydrogen 3.160 N/A GLY 195.A N ARG 192.A O no hydrogen 2.917 N/A VAL 196.A N TRP 191.A O no hydrogen 2.906 N/A ILE 198.A N VAL 196.A O no hydrogen 2.858 N/A ASP 199.A N LEU 166.A O no hydrogen 2.728 N/A GLY 200.A N LEU 166.A O no hydrogen 3.027 N/A ILE 201.A N GLU 229.A O no hydrogen 3.273 N/A GLY 202.A N ILE 168.A O no hydrogen 2.714 N/A SER 203.A N SER 231.A O no hydrogen 2.904 N/A GLN 204.A N ASP 170.A O no hydrogen 2.879 N/A GLN 204.A NE2 GLU 128.A OE2 no hydrogen 2.924 N/A MET 205.A N LEU 233.A O no hydrogen 2.789 N/A HIS 206.A ND1 ASP 236.A OD1 no hydrogen 2.619 N/A LEU 207.A N ASP 236.A O no hydrogen 2.934 N/A SER 208.A N GLN 211.A OE1 no hydrogen 2.881 N/A SER 208.A OG GLN 211.A OE1 no hydrogen 2.986 N/A GLY 210.A N ASP 244.A OD2 no hydrogen 2.865 N/A GLN 211.A N SER 208.A O no hydrogen 3.129 N/A GLY 212.A N ASP 244.A OD1 no hydrogen 2.908 N/A VAL 215.A N GLY 212.A O no hydrogen 3.132 N/A LEU 216.A N ALA 213.A O no hydrogen 3.279 N/A GLN 217.A N GLY 214.A O no hydrogen 3.061 N/A ALA 218.A N GLY 214.A O no hydrogen 2.933 N/A LEU 219.A N VAL 215.A O no hydrogen 2.895 N/A LEU 221.A N GLN 217.A O no hydrogen 3.371 N/A LEU 222.A N ALA 218.A O no hydrogen 2.959 N/A ALA 223.A N LEU 219.A O no hydrogen 2.987 N/A SER 224.A N LEU 221.A O no hydrogen 3.072 N/A SER 224.A OG LEU 221.A O no hydrogen 2.598 N/A ALA 225.A N LEU 222.A O no hydrogen 3.148 N/A GLY 226.A N ALA 223.A O no hydrogen 3.068 N/A THR 227.A OG1 GLU 229.A O no hydrogen 2.501 N/A GLU 229.A N ASP 199.A O no hydrogen 2.848 N/A VAL 230.A N SER 257.A O no hydrogen 2.976 N/A SER 231.A N ILE 201.A O no hydrogen 2.924 N/A ILE 232.A N GLY 260.A O no hydrogen 3.225 N/A LEU 233.A N SER 203.A O no hydrogen 2.820 N/A LEU 235.A N THR 262.A O no hydrogen 2.970 N/A ASP 236.A N MET 205.A O no hydrogen 3.173 N/A VAL 237.A N PRO 278.A O no hydrogen 3.074 N/A ALA 238.A N LEU 207.A O no hydrogen 3.191 N/A GLY 239.A N SER 276.A O no hydrogen 2.893 N/A ALA 240.A N VAL 237.A O no hydrogen 2.705 N/A SER 241.A OG ASP 244.A OD2 no hydrogen 3.535 N/A ASP 244.A N SER 241.A OG no hydrogen 3.306 N/A TYR 245.A N SER 241.A O no hydrogen 3.282 N/A TYR 245.A OH PRO 278.A O no hydrogen 2.514 N/A VAL 246.A N PRO 242.A O no hydrogen 2.784 N/A ASN 247.A N THR 243.A O no hydrogen 3.015 N/A VAL 248.A N ASP 244.A O no hydrogen 2.964 N/A VAL 249.A N TYR 245.A O no hydrogen 3.002 N/A ASN 250.A N VAL 246.A O no hydrogen 2.875 N/A ALA 251.A N ASN 247.A O no hydrogen 2.929 N/A CYS 252.A N VAL 248.A O no hydrogen 3.118 N/A CYS 252.A SG CYS 258.A O no hydrogen 3.476 N/A LEU 253.A N VAL 249.A O no hydrogen 2.923 N/A ASN 254.A N ASN 250.A O no hydrogen 2.842 N/A VAL 255.A N CYS 252.A O no hydrogen 3.223 N/A CYS 258.A N VAL 255.A O no hydrogen 2.939 N/A CYS 258.A SG VAL 230.A O no hydrogen 3.929 N/A CYS 258.A SG GLY 260.A O no hydrogen 3.991 N/A VAL 259.A N VAL 230.A O no hydrogen 3.134 N/A ILE 261.A N TYR 14.A O no hydrogen 3.413 N/A THR 262.A N ILE 232.A O no hydrogen 2.706 N/A VAL 263.A N GLY 16.A O no hydrogen 2.985 N/A MET 264.A N LEU 235.A O no hydrogen 2.893 N/A ASP 268.A N PHE 281.A O no hydrogen 2.976 N/A ASP 270.A N ALA 267.A O no hydrogen 2.967 N/A SER 271.A N ASP 268.A O no hydrogen 2.887 N/A PHE 273.A N SER 271.A OG no hydrogen 2.786 N/A SER 276.A N PHE 273.A O no hydrogen 2.889 N/A SER 276.A OG PHE 273.A O no hydrogen 2.698 N/A THR 277.A N ALA 274.A O no hydrogen 2.827 N/A LEU 279.A N ASP 268.A OD1 no hydrogen 2.917 N/A PHE 281.A N VAL 266.A O no hydrogen 3.303 N/A ASP 282.A N ASN 286.A O no hydrogen 2.908 N/A ASN 284.A N ASP 282.A OD1 no hydrogen 2.839 N/A PHE 285.A N ASP 282.A O no hydrogen 2.893 N/A ASN 286.A N ASP 282.A OD1 no hydrogen 2.898 N/A LYS 288.A N LEU 280.A O no hydrogen 2.918 N/A LYS 288.A NZ ASP 268.A OD1 no hydrogen 3.284 N/A LYS 288.A NZ ASP 268.A OD2 no hydrogen 2.920 N/A LYS 288.A NZ LEU 279.A O no hydrogen 2.837 N/A TYR 291.A OH GLN 1.A O no hydrogen 2.625 N/A ASN 292.A N LYS 288.A O no hydrogen 3.233 N/A ALA 293.A N PRO 289.A O no hydrogen 2.842 N/A ILE 294.A N ALA 290.A O no hydrogen 3.106 N/A VAL 295.A N TYR 291.A O no hydrogen 3.067 N/A GLN 296.A N ASN 292.A O no hydrogen 2.857 N/A ASP 297.A N ALA 293.A O no hydrogen 2.902 N/A LEU 298.A N ILE 294.A O no hydrogen 2.992 N/A GLN 299.A N VAL 295.A O no hydrogen 3.064 N/A GLN 299.A NE2 GLN 1.A OE1 no hydrogen 2.412 N/A