Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1um9_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): HIS 1.A NE2 ASP 23.A OD1 no hydrogen 2.909 N/A PHE 3.A N GLU 231.A OE1 no hydrogen 3.098 N/A PHE 3.A N GLU 231.A OE2 no hydrogen 3.335 N/A PHE 6.A N GLY 214.A O no hydrogen 2.809 N/A THR 7.A OG1 GLU 9.A O no hydrogen 2.673 N/A ILE 11.A N LEU 216.A O no hydrogen 2.858 N/A LEU 13.A N ASP 221.A OD2 no hydrogen 2.815 N/A ILE 14.A N ASP 221.A OD2 no hydrogen 2.721 N/A GLY 15.A N GLU 19.A O no hydrogen 2.797 N/A GLU 17.A N GLU 19.A OE2 no hydrogen 2.497 N/A GLY 18.A N GLY 15.A O no hydrogen 3.308 N/A TRP 20.A NE1 PHE 24.A O no hydrogen 2.849 N/A LEU 21.A N LEU 13.A O no hydrogen 2.885 N/A ASP 27.A N TYR 227.A OH no hydrogen 3.262 N/A LYS 32.A NZ TYR 226.A OH no hydrogen 2.775 N/A LEU 33.A N GLU 29.A O no hydrogen 3.055 N/A ARG 34.A N GLY 30.A O no hydrogen 2.978 N/A ARG 35.A N GLU 31.A O no hydrogen 2.920 N/A LEU 36.A N LYS 32.A O no hydrogen 2.994 N/A TYR 37.A N LEU 33.A O no hydrogen 3.179 N/A TYR 37.A OH GLU 279.A OE1 no hydrogen 2.709 N/A ARG 38.A N ARG 34.A O no hydrogen 2.836 N/A ARG 38.A NH1 GLU 289.A OE1 no hydrogen 3.236 N/A ARG 38.A NH1 GLU 289.A OE2 no hydrogen 3.486 N/A ARG 38.A NH2 GLU 285.A OE1 no hydrogen 3.269 N/A ARG 38.A NH2 GLU 289.A OE2 no hydrogen 3.096 N/A ASP 39.A N ARG 35.A O no hydrogen 2.940 N/A MET 40.A N LEU 36.A O no hydrogen 3.004 N/A LEU 41.A N TYR 37.A O no hydrogen 3.027 N/A ALA 42.A N ARG 38.A O no hydrogen 3.049 N/A ALA 43.A N ASP 39.A O no hydrogen 2.808 N/A ARG 44.A N MET 40.A O no hydrogen 2.943 N/A ARG 44.A NE GLU 69.A OE2 no hydrogen 2.695 N/A ARG 44.A NH1 ASP 259.A OD2 no hydrogen 2.944 N/A ARG 44.A NH2 GLU 69.A OE1 no hydrogen 2.950 N/A ARG 44.A NH2 ASP 259.A OD1 no hydrogen 2.919 N/A ARG 44.A NH2 ASP 259.A OD2 no hydrogen 3.545 N/A MET 45.A N LEU 41.A O no hydrogen 2.792 N/A LEU 46.A N ALA 42.A O no hydrogen 2.808 N/A ASP 47.A N ALA 43.A O no hydrogen 2.991 N/A GLU 48.A N ARG 44.A O no hydrogen 3.026 N/A ARG 49.A N MET 45.A O no hydrogen 2.922 N/A ARG 49.A NH1 GLU 291.A OE1 no hydrogen 2.725 N/A TYR 50.A N LEU 46.A O no hydrogen 2.999 N/A THR 51.A N ASP 47.A O no hydrogen 3.250 N/A THR 51.A OG1 ASP 47.A O no hydrogen 3.348 N/A ILE 52.A N GLU 48.A O no hydrogen 3.411 N/A LEU 53.A N ARG 49.A O no hydrogen 2.978 N/A ILE 54.A N TYR 50.A O no hydrogen 2.905 N/A ARG 55.A N THR 51.A O no hydrogen 2.978 N/A THR 56.A N ILE 52.A O no hydrogen 2.752 N/A THR 56.A OG1 ILE 52.A O no hydrogen 3.001 N/A THR 56.A OG1 LEU 53.A O no hydrogen 3.569 N/A GLY 57.A N ILE 54.A O no hydrogen 3.095 N/A LYS 58.A NZ GLU 298.A OE2 no hydrogen 2.899 N/A THR 59.A N LEU 53.A O no hydrogen 3.178 N/A THR 59.A OG1 MET 110.A O no hydrogen 2.746 N/A ALA 63.A N GLU 125.A OE2 no hydrogen 2.607 N/A ALA 65.A N ASP 47.A OD1 no hydrogen 2.751 N/A GLY 67.A N GLU 69.A OE1 no hydrogen 2.644 N/A HIS 68.A N ALA 65.A O no hydrogen 2.817 N/A HIS 68.A ND1 GLU 197.A OE1 no hydrogen 2.892 N/A GLU 69.A N GLU 69.A OE1 no hydrogen 2.875 N/A GLN 72.A N HIS 68.A O no hydrogen 2.740 N/A GLN 72.A NE2 ARG 91.A O no hydrogen 2.841 N/A GLN 72.A NE2 GLU 197.A OE1 no hydrogen 2.965 N/A VAL 73.A N GLU 69.A O no hydrogen 2.796 N/A ALA 74.A N ALA 70.A O no hydrogen 2.971 N/A ILE 75.A N ALA 71.A O no hydrogen 3.111 N/A ALA 76.A N GLN 72.A O no hydrogen 3.256 N/A HIS 77.A N VAL 73.A O no hydrogen 3.189 N/A HIS 77.A N ALA 74.A O no hydrogen 3.142 N/A HIS 77.A NE2 ASP 39.A OD2 no hydrogen 2.588 N/A ALA 78.A N ALA 74.A O no hydrogen 2.923 N/A ALA 78.A N ILE 75.A O no hydrogen 3.205 N/A ARG 80.A N ASP 84.A OD2 no hydrogen 2.708 N/A PHE 83.A N ARG 80.A O no hydrogen 2.836 N/A ASP 84.A N ARG 80.A O no hydrogen 2.906 N/A TRP 85.A N VAL 163.A O no hydrogen 2.955 N/A VAL 86.A N ASN 133.A O no hydrogen 2.859 N/A PHE 87.A N VAL 165.A O no hydrogen 2.830 N/A TYR 89.A N ASP 92.A OD2 no hydrogen 2.948 N/A ARG 91.A NH1 PRO 64.A O no hydrogen 2.748 N/A ARG 91.A NH1 HIS 255.A O no hydrogen 2.525 N/A ARG 91.A NH2 HIS 255.A O no hydrogen 2.593 N/A ASP 92.A N TYR 89.A O no hydrogen 3.071 N/A HIS 93.A ND1 GLU 125.A OE1 no hydrogen 2.980 N/A HIS 93.A NE2 ASP 47.A OD1 no hydrogen 2.824 N/A LEU 95.A N GLN 72.A OE1 no hydrogen 2.974 N/A ALA 96.A N ASP 92.A O no hydrogen 2.938 N/A LEU 97.A N HIS 93.A O no hydrogen 3.004 N/A ALA 98.A N GLY 94.A O no hydrogen 3.022 N/A LEU 99.A N LEU 95.A O no hydrogen 2.887 N/A LEU 99.A N ALA 96.A O no hydrogen 3.266 N/A GLY 100.A N LEU 97.A O no hydrogen 2.951 N/A ILE 101.A N ALA 96.A O no hydrogen 3.222 N/A GLU 105.A N PRO 102.A O no hydrogen 2.909 N/A LEU 106.A N PRO 102.A O no hydrogen 3.166 N/A LEU 107.A N LEU 103.A O no hydrogen 2.821 N/A GLY 108.A N LYS 104.A O no hydrogen 2.777 N/A GLN 109.A N GLU 105.A O no hydrogen 3.060 N/A GLN 109.A NE2 MET 123.A O no hydrogen 2.969 N/A MET 110.A N LEU 106.A O no hydrogen 3.160 N/A LEU 111.A N LEU 107.A O no hydrogen 2.918 N/A ALA 112.A N GLN 109.A O no hydrogen 3.263 N/A THR 113.A N GLY 108.A O no hydrogen 2.880 N/A THR 113.A OG1 ALA 297.A O no hydrogen 2.741 N/A LYS 114.A N GLY 301.A O no hydrogen 2.763 N/A ALA 115.A N THR 113.A OG1 no hydrogen 3.260 N/A ASP 116.A N THR 113.A O no hydrogen 2.953 N/A ASN 118.A N ASP 116.A OD1 no hydrogen 2.907 N/A ASN 118.A ND2 ASP 116.A OD1 no hydrogen 2.985 N/A ASN 118.A ND2 GLY 128.A O no hydrogen 3.273 N/A LYS 119.A N ASP 116.A O no hydrogen 2.722 N/A LYS 119.A NZ ASP 311.A OD2 no hydrogen 2.769 N/A GLY 120.A N ASP 116.A OD2 no hydrogen 2.629 N/A ARG 121.A N ASN 118.A O no hydrogen 3.248 N/A ARG 121.A NE TRP 307.A O no hydrogen 3.364 N/A ARG 121.A NH1 ASP 311.A OD2 no hydrogen 2.953 N/A ARG 121.A NH2 TRP 307.A O no hydrogen 2.862 N/A ARG 121.A NH2 ASP 311.A OD2 no hydrogen 2.899 N/A GLN 122.A NE2 VAL 137.A O no hydrogen 2.944 N/A HIS 126.A N GLN 109.A OE1 no hydrogen 2.955 N/A HIS 126.A ND1 PRO 124.A O no hydrogen 2.878 N/A HIS 126.A NE2 SER 139.A OG no hydrogen 2.920 N/A SER 129.A N PHE 134.A O no hydrogen 2.936 N/A LEU 132.A N SER 129.A OG no hydrogen 3.077 N/A ASN 133.A N LYS 130.A O no hydrogen 3.193 N/A ASN 133.A ND2 ASP 84.A O no hydrogen 3.068 N/A PHE 134.A N SER 129.A O no hydrogen 2.830 N/A PHE 135.A N VAL 86.A O no hydrogen 2.939 N/A THR 136.A OG1 ASN 118.A OD1 no hydrogen 3.143 N/A VAL 137.A N PRO 127.A O no hydrogen 3.203 N/A SER 139.A OG HIS 126.A NE2 no hydrogen 2.920 N/A HIS 144.A N HIS 144.A ND1 no hydrogen 2.896 N/A HIS 144.A NE2 THR 167.A O no hydrogen 2.759 N/A VAL 145.A N ALA 142.A O no hydrogen 3.179 N/A ALA 148.A N HIS 144.A O no hydrogen 3.228 N/A ALA 149.A N VAL 145.A O no hydrogen 3.121 N/A GLY 150.A N PRO 146.A O no hydrogen 2.905 N/A ALA 151.A N PRO 147.A O no hydrogen 2.808 N/A ALA 152.A N ALA 148.A O no hydrogen 3.030 N/A ILE 153.A N ALA 149.A O no hydrogen 2.928 N/A SER 154.A N GLY 150.A O no hydrogen 2.979 N/A MET 155.A N ALA 151.A O no hydrogen 2.958 N/A LYS 156.A N ALA 152.A O no hydrogen 2.980 N/A LEU 157.A N ILE 153.A O no hydrogen 2.967 N/A LEU 158.A N SER 154.A O no hydrogen 2.933 N/A ARG 159.A N LYS 156.A O no hydrogen 3.232 N/A THR 160.A N MET 155.A O no hydrogen 3.208 N/A THR 160.A OG1 GLN 162.A OE1 no hydrogen 2.744 N/A GLN 162.A N THR 160.A OG1 no hydrogen 3.154 N/A GLN 162.A NE2 PHE 83.A O no hydrogen 2.590 N/A VAL 163.A N ASP 84.A OD1 no hydrogen 2.948 N/A ALA 164.A N PRO 191.A O no hydrogen 3.093 N/A VAL 165.A N TRP 85.A O no hydrogen 2.957 N/A CYS 166.A N VAL 193.A O no hydrogen 2.816 N/A CYS 166.A SG PHE 87.A O no hydrogen 3.960 N/A THR 167.A N PHE 87.A O no hydrogen 3.093 N/A THR 167.A OG1 ASP 92.A OD2 no hydrogen 2.588 N/A PHE 168.A N ILE 195.A O no hydrogen 3.091 N/A THR 173.A N ASP 170.A O no hydrogen 3.013 N/A THR 173.A OG1 ASP 170.A O no hydrogen 2.669 N/A SER 174.A N GLY 171.A O no hydrogen 3.189 N/A GLU 175.A N ALA 172.A O no hydrogen 3.021 N/A TRP 178.A N GLU 175.A O no hydrogen 3.237 N/A TYR 179.A N GLU 175.A O no hydrogen 3.454 N/A ALA 180.A N GLY 176.A O no hydrogen 2.766 N/A GLY 181.A N ASP 177.A O no hydrogen 2.929 N/A ILE 182.A N TRP 178.A O no hydrogen 3.161 N/A ASN 183.A N TYR 179.A O no hydrogen 2.935 N/A PHE 184.A N ALA 180.A O no hydrogen 3.150 N/A ALA 185.A N GLY 181.A O no hydrogen 3.225 N/A ALA 186.A N ILE 182.A O no hydrogen 2.885 N/A VAL 187.A N ASN 183.A O no hydrogen 2.970 N/A GLN 188.A N PHE 184.A O no hydrogen 3.017 N/A GLY 189.A N ALA 186.A O no hydrogen 3.053 N/A ALA 190.A N ALA 185.A O no hydrogen 2.890 N/A ALA 192.A N ALA 190.A O no hydrogen 2.763 N/A VAL 193.A N ALA 164.A O no hydrogen 2.905 N/A PHE 194.A N SER 243.A O no hydrogen 2.952 N/A ILE 195.A N CYS 166.A O no hydrogen 2.733 N/A ALA 196.A N VAL 245.A O no hydrogen 2.857 N/A GLU 197.A N PHE 168.A O no hydrogen 2.837 N/A ASN 198.A N LEU 247.A O no hydrogen 3.022 N/A ASN 198.A ND2 GLU 246.A OE2 no hydrogen 2.903 N/A PHE 200.A N VAL 249.A O no hydrogen 2.943 N/A THR 202.A N ASP 205.A OD2 no hydrogen 2.910 N/A ILE 203.A N GLU 246.A OE1 no hydrogen 2.912 N/A ALA 204.A N GLU 246.A OE1 no hydrogen 3.043 N/A ASP 205.A N THR 202.A OG1 no hydrogen 3.075 N/A LYS 206.A N ILE 203.A O no hydrogen 3.003 N/A ALA 207.A N ALA 204.A O no hydrogen 3.053 N/A HIS 208.A N ASP 205.A O no hydrogen 3.137 N/A ALA 209.A N LYS 206.A O no hydrogen 2.935 N/A PHE 210.A N ALA 207.A O no hydrogen 2.875 N/A GLY 211.A N HIS 208.A O no hydrogen 3.370 N/A ILE 212.A N ALA 207.A O no hydrogen 3.375 N/A TYR 215.A N LEU 244.A O no hydrogen 2.909 N/A VAL 217.A N GLU 246.A O no hydrogen 2.786 N/A ASP 218.A N ILE 11.A O no hydrogen 2.965 N/A MET 220.A N ASP 218.A OD1 no hydrogen 2.786 N/A ASP 221.A N ASP 218.A O no hydrogen 3.010 N/A ALA 224.A N ASP 221.A OD1 no hydrogen 2.828 N/A SER 225.A N ASP 221.A O no hydrogen 2.939 N/A SER 225.A OG ASP 218.A O no hydrogen 3.380 N/A SER 225.A OG ASP 221.A O no hydrogen 2.933 N/A TYR 226.A N VAL 222.A O no hydrogen 2.876 N/A TYR 227.A N LEU 223.A O no hydrogen 2.892 N/A TYR 227.A OH ASP 27.A OD1 no hydrogen 2.656 N/A VAL 228.A N ALA 224.A O no hydrogen 3.114 N/A VAL 229.A N SER 225.A O no hydrogen 3.111 N/A LYS 230.A N TYR 226.A O no hydrogen 2.844 N/A LYS 230.A NZ TYR 226.A OH no hydrogen 3.458 N/A GLU 231.A N TYR 227.A O no hydrogen 2.970 N/A ALA 232.A N VAL 228.A O no hydrogen 3.044 N/A VAL 233.A N VAL 229.A O no hydrogen 2.780 N/A GLU 234.A N LYS 230.A O no hydrogen 2.894 N/A ARG 235.A N GLU 231.A O no hydrogen 2.880 N/A ARG 235.A NH1 SER 243.A OG no hydrogen 3.170 N/A ARG 235.A NH2 GLU 231.A OE2 no hydrogen 3.176 N/A ALA 236.A N ALA 232.A O no hydrogen 2.990 N/A ARG 237.A N VAL 233.A O no hydrogen 2.815 N/A ARG 237.A NH1 ASP 84.A OD1 no hydrogen 2.986 N/A ARG 237.A NH1 GLY 161.A O no hydrogen 2.841 N/A ARG 237.A NH2 ASP 84.A OD1 no hydrogen 3.494 N/A ARG 237.A NH2 ASP 84.A OD2 no hydrogen 2.877 N/A ARG 238.A N GLU 234.A O no hydrogen 2.941 N/A ARG 238.A N ARG 235.A O no hydrogen 3.277 N/A ARG 238.A NH1 GLU 240.A OE1 no hydrogen 2.607 N/A GLY 239.A N ALA 236.A O no hydrogen 2.896 N/A GLU 240.A N ARG 235.A O no hydrogen 3.007 N/A LEU 244.A N PRO 213.A O no hydrogen 3.060 N/A VAL 245.A N PHE 194.A O no hydrogen 2.760 N/A GLU 246.A N TYR 215.A O no hydrogen 2.675 N/A LEU 247.A N ALA 196.A O no hydrogen 2.824 N/A ARG 248.A N VAL 217.A O no hydrogen 3.058 N/A ARG 248.A NH1 GLU 246.A OE2 no hydrogen 3.488 N/A VAL 249.A N ASN 198.A O no hydrogen 2.841 N/A ARG 251.A N ASN 199.A OD1 no hydrogen 2.755 N/A ARG 251.A NH1 HIS 68.A NE2 no hydrogen 3.099 N/A TYR 252.A N ALA 66.A O no hydrogen 3.314 N/A ILE 261.A N ASP 259.A OD1 no hydrogen 2.947 N/A ARG 263.A NH1 ASP 218.A OD2 no hydrogen 2.665 N/A ARG 263.A NH2 ILE 14.A O no hydrogen 2.732 N/A ARG 263.A NH2 ASP 218.A OD2 no hydrogen 3.334 N/A PHE 264.A N PRO 260.A O no hydrogen 3.044 N/A PHE 264.A N ILE 261.A O no hydrogen 3.159 N/A ARG 265.A N ILE 261.A O no hydrogen 2.873 N/A ARG 266.A N PRO 262.A O no hydrogen 3.201 N/A ARG 266.A NE GLU 16.A O no hydrogen 2.852 N/A LEU 268.A N PHE 264.A O no hydrogen 3.009 N/A GLU 269.A N ARG 265.A O no hydrogen 2.777 N/A ALA 270.A N ARG 266.A O no hydrogen 2.919 N/A ARG 271.A N LEU 268.A O no hydrogen 2.852 N/A ARG 271.A NH1 GLY 18.A O no hydrogen 2.928 N/A ARG 271.A NH1 PHE 267.A O no hydrogen 2.783 N/A ARG 271.A NH2 GLY 18.A O no hydrogen 3.325 N/A GLY 272.A N GLU 269.A O no hydrogen 3.186 N/A LEU 273.A N LEU 268.A O no hydrogen 2.925 N/A TRP 274.A NE1 GLU 279.A OE1 no hydrogen 2.841 N/A TRP 278.A N ASN 275.A OD1 no hydrogen 2.765 N/A GLU 279.A N ASN 275.A O no hydrogen 3.094 N/A GLU 280.A N GLU 276.A O no hydrogen 3.012 N/A ASP 281.A N GLU 277.A O no hydrogen 3.007 N/A VAL 282.A N TRP 278.A O no hydrogen 2.931 N/A ARG 283.A N GLU 279.A O no hydrogen 3.040 N/A ARG 283.A NE GLU 279.A OE2 no hydrogen 2.579 N/A GLU 284.A N GLU 280.A O no hydrogen 2.891 N/A GLU 285.A N ASP 281.A O no hydrogen 3.004 N/A ILE 286.A N VAL 282.A O no hydrogen 2.895 N/A ARG 287.A N ARG 283.A O no hydrogen 2.920 N/A ARG 287.A NH1 GLU 284.A OE1 no hydrogen 2.786 N/A ALA 288.A N GLU 284.A O no hydrogen 3.166 N/A GLU 289.A N GLU 285.A O no hydrogen 2.985 N/A LEU 290.A N ILE 286.A O no hydrogen 2.838 N/A GLU 291.A N ARG 287.A O no hydrogen 2.980 N/A ARG 292.A N ALA 288.A O no hydrogen 3.017 N/A GLY 293.A N GLU 289.A O no hydrogen 2.893 N/A LEU 294.A N LEU 290.A O no hydrogen 2.835 N/A LYS 295.A N GLU 291.A O no hydrogen 2.985 N/A GLU 296.A N ARG 292.A O no hydrogen 3.062 N/A ALA 297.A N GLY 293.A O no hydrogen 3.016 N/A GLU 298.A N LEU 294.A O no hydrogen 2.858 N/A GLU 299.A N LYS 295.A O no hydrogen 2.999 N/A ALA 300.A N ALA 297.A O no hydrogen 3.383 N/A GLY 301.A N GLU 298.A O no hydrogen 3.344 N/A TRP 307.A N PRO 304.A O no hydrogen 3.225 N/A MET 308.A N PRO 305.A O no hydrogen 3.057 N/A PHE 309.A N GLU 306.A O no hydrogen 2.874 N/A GLU 310.A N TRP 307.A O no hydrogen 3.117 N/A LYS 316.A NZ GLU 310.A OE2 no hydrogen 2.888 N/A LYS 316.A NZ GLU 324.A OE1 no hydrogen 2.820 N/A LEU 320.A N PRO 317.A O no hydrogen 3.170 N/A LEU 321.A N PRO 317.A O no hydrogen 3.071 N/A ARG 322.A N TRP 318.A O no hydrogen 2.943 N/A GLN 323.A N HIS 319.A O no hydrogen 2.961 N/A GLU 324.A N LEU 320.A O no hydrogen 2.791 N/A ALA 325.A N LEU 321.A O no hydrogen 3.135 N/A LEU 326.A N ARG 322.A O no hydrogen 3.005 N/A LEU 327.A N GLN 323.A O no hydrogen 3.029 N/A LYS 328.A N GLU 324.A O no hydrogen 3.153 N/A GLU 329.A N LEU 326.A O no hydrogen 3.066 N/A GLU 330.A N LEU 327.A O no hydrogen 2.838 N/A LEU 331.A N LYS 328.A O no hydrogen 2.808 N/A