Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3u1b_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 9.A N ILE 336.A O no hydrogen 2.768 N/A SER 9.A OG ILE 336.A O no hydrogen 2.775 N/A LEU 10.A N LEU 160.A O no hydrogen 2.933 N/A LYS 11.A N ASP 14.A OD2 no hydrogen 2.854 N/A ASP 14.A N LYS 11.A O no hydrogen 3.037 N/A ILE 16.A N HIS 46.A O no hydrogen 2.792 N/A GLY 17.A N CYS 82.A O no hydrogen 2.725 N/A ILE 18.A N LEU 48.A O no hydrogen 2.994 N/A TYR 19.A N MET 84.A O no hydrogen 3.357 N/A SER 20.A N GLU 70.A OE1 no hydrogen 2.868 N/A SER 20.A OG THR 86.A OG1 no hydrogen 2.864 N/A SER 23.A N GLY 88.A O no hydrogen 2.989 N/A SER 23.A OG GLY 88.A O no hydrogen 3.206 N/A VAL 25.A N SER 23.A O no hydrogen 2.898 N/A TYR 27.A N PRO 24.A O no hydrogen 3.009 N/A THR 28.A N PRO 24.A O no hydrogen 3.109 N/A THR 28.A OG1 PRO 24.A O no hydrogen 3.421 N/A SER 29.A N VAL 25.A O no hydrogen 2.860 N/A LYS 31.A N GLU 184.A OE1 no hydrogen 2.889 N/A LYS 31.A NZ GLU 185.A OE2 no hydrogen 2.199 N/A ARG 32.A N GLU 184.A OE2 no hydrogen 2.800 N/A ARG 32.A NE VAL 139.A O no hydrogen 2.867 N/A ARG 32.A NH1 PRO 140.A O no hydrogen 2.782 N/A ARG 32.A NH1 GLU 144.A OE1 no hydrogen 2.833 N/A ARG 32.A NH2 TRP 183.A O no hydrogen 3.140 N/A PHE 33.A N SER 29.A O no hydrogen 3.017 N/A GLU 34.A N PRO 30.A O no hydrogen 2.997 N/A ARG 35.A N LYS 31.A O no hydrogen 3.008 N/A ARG 35.A NE GLY 143.A O no hydrogen 2.893 N/A ARG 35.A NH1 GLY 143.A O no hydrogen 2.968 N/A ARG 35.A NH1 TRP 183.A O no hydrogen 2.837 N/A ARG 35.A NH2 GLU 184.A O no hydrogen 2.884 N/A ALA 36.A N ARG 32.A O no hydrogen 2.840 N/A LYS 37.A N PHE 33.A O no hydrogen 3.011 N/A LYS 37.A NZ GLU 34.A OE1 no hydrogen 3.367 N/A LYS 37.A NZ GLU 34.A OE2 no hydrogen 3.092 N/A LYS 37.A NZ GLU 49.A OE2 no hydrogen 2.560 N/A SER 38.A N GLU 34.A O no hydrogen 2.882 N/A SER 38.A OG GLU 34.A O no hydrogen 2.995 N/A TYR 39.A N ARG 35.A O no hydrogen 2.938 N/A TYR 39.A OH ASP 150.A OD1 no hydrogen 2.901 N/A LEU 40.A N ALA 36.A O no hydrogen 3.262 N/A LEU 41.A N LYS 37.A O no hydrogen 3.050 N/A GLN 42.A N SER 38.A O no hydrogen 3.048 N/A LYS 43.A N LEU 40.A O no hydrogen 3.286 N/A GLY 44.A N LEU 41.A O no hydrogen 2.984 N/A PHE 45.A N LEU 40.A O no hydrogen 3.202 N/A HIS 46.A N ASP 14.A O no hydrogen 3.011 N/A LEU 48.A N ILE 16.A O no hydrogen 2.925 N/A LEU 52.A N GLU 70.A OE2 no hydrogen 2.845 N/A THR 53.A N GLY 50.A O no hydrogen 3.028 N/A THR 53.A OG1 GLY 50.A O no hydrogen 2.909 N/A GLY 54.A N THR 26.A OG1 no hydrogen 2.697 N/A ARG 55.A N LEU 52.A O no hydrogen 2.979 N/A ASP 57.A N ARG 60.A O no hydrogen 2.834 N/A ARG 60.A N ASP 57.A O no hydrogen 3.181 N/A ARG 60.A NE ASP 57.A OD2 no hydrogen 3.000 N/A ARG 60.A NH2 ASP 57.A OD2 no hydrogen 3.566 N/A SER 61.A N SER 22.A O no hydrogen 2.895 N/A SER 61.A OG SER 20.A O no hydrogen 2.574 N/A SER 63.A N GLU 66.A OE1 no hydrogen 2.885 N/A GLU 66.A N SER 63.A OG no hydrogen 3.015 N/A ARG 67.A N SER 63.A O no hydrogen 2.887 N/A ARG 67.A NE GLY 62.A O no hydrogen 2.817 N/A ARG 67.A NE SER 63.A O no hydrogen 3.367 N/A ARG 67.A NH1 PRO 21.A O no hydrogen 2.860 N/A ARG 67.A NH1 ASN 91.A O no hydrogen 2.880 N/A ALA 68.A N ILE 64.A O no hydrogen 3.007 N/A LYS 69.A N GLN 65.A O no hydrogen 2.985 N/A GLU 70.A N GLU 66.A O no hydrogen 2.947 N/A LEU 71.A N ARG 67.A O no hydrogen 3.188 N/A ASN 72.A N ALA 68.A O no hydrogen 2.833 N/A ASN 72.A ND2 TYR 98.A O no hydrogen 2.917 N/A ALA 73.A N LYS 69.A O no hydrogen 3.049 N/A ILE 75.A N LEU 71.A O no hydrogen 2.981 N/A ARG 76.A N ASN 72.A O no hydrogen 2.890 N/A ARG 76.A NE ASP 100.A OD2 no hydrogen 2.992 N/A ARG 76.A NH2 ASP 100.A OD2 no hydrogen 3.364 N/A ASN 77.A N LEU 74.A O no hydrogen 3.127 N/A ASN 79.A N ASN 77.A OD1 no hydrogen 2.778 N/A VAL 80.A N ASN 77.A O no hydrogen 3.237 N/A SER 81.A N THR 15.A O no hydrogen 3.009 N/A CYS 82.A SG ILE 110.A O no hydrogen 3.925 N/A ILE 83.A N ILE 110.A O no hydrogen 2.789 N/A MET 84.A N GLY 17.A O no hydrogen 2.827 N/A SER 85.A N ILE 112.A O no hydrogen 3.323 N/A THR 86.A N TYR 19.A O no hydrogen 2.913 N/A THR 86.A OG1 TYR 19.A O no hydrogen 3.551 N/A THR 86.A OG1 SER 20.A OG no hydrogen 2.864 N/A MET 90.A N SER 22.A OG no hydrogen 2.814 N/A ASN 91.A N SER 22.A OG no hydrogen 2.914 N/A SER 92.A N ASP 116.A OD2 no hydrogen 2.708 N/A SER 92.A OG ASP 116.A OD2 no hydrogen 2.626 N/A ASN 93.A ND2 GLY 219.A O no hydrogen 3.008 N/A SER 94.A N ASN 91.A O no hydrogen 3.311 N/A LEU 95.A N SER 92.A O no hydrogen 3.046 N/A LEU 96.A N ASN 93.A O no hydrogen 3.341 N/A TYR 98.A N LEU 95.A O no hydrogen 2.867 N/A ASP 100.A N ASN 72.A OD1 no hydrogen 2.727 N/A TYR 101.A OH LEU 96.A O no hydrogen 2.734 N/A ALA 103.A N ASP 100.A OD1 no hydrogen 2.888 N/A PHE 104.A N ASP 100.A O no hydrogen 3.210 N/A GLN 105.A N TYR 101.A O no hydrogen 2.808 N/A GLN 105.A NE2 THR 128.A O no hydrogen 3.438 N/A ASN 106.A N ASP 102.A O no hydrogen 2.796 N/A ASN 107.A N ALA 103.A O no hydrogen 2.979 N/A ASN 107.A N PHE 104.A O no hydrogen 3.231 N/A LYS 109.A NZ ASN 77.A O no hydrogen 3.001 N/A LYS 109.A NZ VAL 80.A O no hydrogen 2.813 N/A LYS 109.A NZ ASN 107.A OD1 no hydrogen 2.273 N/A ILE 110.A N SER 81.A O no hydrogen 3.239 N/A ILE 112.A N ILE 83.A O no hydrogen 2.941 N/A GLY 113.A N PHE 133.A O no hydrogen 3.244 N/A SER 115.A N TYR 134.A OH no hydrogen 2.821 N/A SER 115.A OG.A HIS 306.A NE2 no hydrogen 3.113 N/A SER 115.A OG.B TYR 114.A O no hydrogen 2.823 N/A ALA 117.A N TYR 114.A O no hydrogen 2.946 N/A THR 118.A N SER 115.A O no hydrogen 2.847 N/A THR 118.A OG1 SER 115.A O no hydrogen 2.693 N/A ALA 119.A N ASP 116.A O no hydrogen 3.102 N/A LEU 120.A N ALA 117.A O no hydrogen 2.866 N/A LEU 121.A N ALA 117.A O no hydrogen 2.912 N/A LEU 122.A N THR 118.A O no hydrogen 2.886 N/A GLY 123.A N ALA 119.A O no hydrogen 2.963 N/A ILE 124.A N LEU 120.A O no hydrogen 2.881 N/A TYR 125.A N LEU 121.A O no hydrogen 3.185 N/A ALA 126.A N LEU 122.A O no hydrogen 2.779 N/A LYS 127.A N GLY 123.A O no hydrogen 2.943 N/A THR 128.A N ILE 124.A O no hydrogen 2.815 N/A THR 128.A OG1 ILE 124.A O no hydrogen 2.764 N/A GLY 129.A N TYR 125.A O no hydrogen 2.837 N/A ILE 130.A N THR 128.A OG1 no hydrogen 3.087 N/A THR 132.A OG1 LEU 121.A O no hydrogen 2.861 N/A PHE 133.A N MET 111.A O no hydrogen 2.979 N/A TYR 134.A N MET 313.A O no hydrogen 2.850 N/A TYR 134.A OH GLU 238.A OE1 no hydrogen 2.501 N/A GLY 135.A N GLY 113.A O no hydrogen 3.008 N/A ALA 137.A N SER 141.A OG no hydrogen 3.065 N/A LEU 138.A N SER 85.A O no hydrogen 2.941 N/A VAL 139.A N THR 86.A O no hydrogen 3.044 N/A SER 141.A N ALA 137.A O no hydrogen 3.014 N/A SER 141.A OG ALA 137.A O no hydrogen 3.176 N/A PHE 142.A N LEU 138.A O no hydrogen 3.002 N/A GLY 143.A N VAL 139.A O no hydrogen 3.088 N/A ASP 150.A N PRO 147.A O no hydrogen 3.098 N/A ASP 151.A N PHE 148.A O no hydrogen 3.056 N/A THR 152.A N PHE 148.A O no hydrogen 3.129 N/A THR 152.A OG1 PHE 148.A O no hydrogen 3.541 N/A TYR 153.A N VAL 149.A O no hydrogen 2.872 N/A LYS 154.A N ASP 150.A O no hydrogen 3.020 N/A TYR 155.A N ASP 151.A O no hydrogen 3.106 N/A PHE 156.A N THR 152.A O no hydrogen 3.025 N/A LEU 157.A N TYR 153.A O no hydrogen 2.856 N/A GLU 158.A N LYS 154.A O no hydrogen 2.909 N/A THR 159.A N TYR 155.A O no hydrogen 2.987 N/A THR 159.A OG1 TYR 155.A O no hydrogen 3.098 N/A THR 159.A OG1 TYR 168.A OH no hydrogen 2.921 N/A LEU 160.A N PHE 156.A O no hydrogen 2.890 N/A LEU 161.A N LEU 157.A O no hydrogen 2.907 N/A HIS 162.A N LEU 157.A O no hydrogen 2.935 N/A GLN 164.A NE2 GLU 158.A O no hydrogen 2.832 N/A TYR 168.A N ILE 330.A O no hydrogen 2.947 N/A TYR 168.A OH THR 159.A OG1 no hydrogen 2.921 N/A ILE 170.A N ILE 328.A O no hydrogen 2.911 N/A GLN 172.A NE2 LYS 326.A O no hydrogen 3.049 N/A TRP 176.A N ARG 193.A O no hydrogen 2.945 N/A SER 177.A N HIS 308.A O no hydrogen 2.881 N/A GLU 179.A N SER 177.A OG no hydrogen 3.054 N/A ASN 182.A ND2 LYS 188.A O no hydrogen 2.712 N/A TRP 183.A NE1 SER 29.A OG no hydrogen 2.935 N/A LYS 186.A NZ GLU 146.A O no hydrogen 2.952 N/A LYS 186.A NZ GLU 189.A OE1 no hydrogen 3.295 N/A LYS 186.A NZ GLU 189.A OE2 no hydrogen 2.881 N/A THR 187.A N ASN 182.A OD1 no hydrogen 2.927 N/A THR 187.A OG1 ASN 182.A OD1 no hydrogen 3.463 N/A LYS 190.A NZ GLU 144.A OE1 no hydrogen 3.124 N/A LYS 190.A NZ GLU 144.A OE2 no hydrogen 2.852 N/A GLU 191.A N GLU 179.A OE1 no hydrogen 2.834 N/A ARG 193.A N TRP 176.A O no hydrogen 3.074 N/A ARG 193.A NE GLU 191.A OE1 no hydrogen 3.063 N/A ARG 193.A NH2 ASP 178.A OD1 no hydrogen 2.794 N/A ASN 195.A N LEU 174.A O no hydrogen 3.057 N/A ASN 195.A ND2 PRO 173.A O no hydrogen 2.905 N/A ASN 195.A ND2 ASP 303.A OD2 no hydrogen 2.882 N/A TRP 197.A NE1 ASP 303.A OD2 no hydrogen 2.760 N/A ILE 198.A N ALA 300.A O no hydrogen 2.921 N/A SER 199.A OG ALA 323.A O no hydrogen 2.807 N/A VAL 200.A N LEU 298.A O no hydrogen 3.022 N/A THR 201.A N LEU 298.A O no hydrogen 3.350 N/A GLY 203.A N THR 324.A OG1 no hydrogen 2.851 N/A GLN 204.A NE2 ASP 322.A OD1 no hydrogen 2.965 N/A ALA 205.A N MET 321.A O no hydrogen 2.945 N/A GLY 207.A N VAL 319.A O no hydrogen 3.034 N/A ARG 208.A NE ASP 233.A OD1 no hydrogen 3.052 N/A ARG 208.A NH1 TYR 125.A OH no hydrogen 3.111 N/A ARG 208.A NH2 CYS 228.A O no hydrogen 2.884 N/A ARG 208.A NH2 ASP 233.A OD1 no hydrogen 3.400 N/A ARG 208.A NH2 ASP 233.A OD2 no hydrogen 2.723 N/A VAL 209.A N VAL 317.A O no hydrogen 2.991 N/A ILE 210.A N ILE 234.A O no hydrogen 3.040 N/A GLY 212.A N PHE 236.A O no hydrogen 2.912 N/A ASN 213.A N THR 118.A OG1 no hydrogen 2.972 N/A ASN 213.A ND2 GLU 238.A OE1 no hydrogen 2.911 N/A LEU 214.A N GLU 238.A O no hydrogen 2.955 N/A ASN 215.A N ASP 239.A OD1 no hydrogen 2.894 N/A THR 216.A N ASN 213.A OD1 no hydrogen 3.086 N/A THR 216.A OG1 SER 115.A O no hydrogen 3.558 N/A THR 216.A OG1 ASN 213.A OD1 no hydrogen 2.829 N/A ILE 217.A N ASN 213.A O no hydrogen 3.059 N/A GLN 218.A N LEU 214.A O no hydrogen 3.419 N/A GLN 218.A N ASN 215.A O no hydrogen 3.304 N/A GLN 218.A NE2 LEU 214.A O no hydrogen 3.562 N/A GLN 218.A NE2 SER 250.A OG no hydrogen 2.606 N/A GLY 219.A N THR 216.A O no hydrogen 2.947 N/A ILE 220.A N ILE 217.A O no hydrogen 3.057 N/A TRP 221.A N ILE 217.A O no hydrogen 2.940 N/A TRP 221.A NE1 ASN 257.A OD1 no hydrogen 2.946 N/A SER 223.A N ILE 220.A O no hydrogen 3.186 N/A SER 223.A OG ILE 220.A O no hydrogen 2.766 N/A TYR 225.A N SER 223.A OG no hydrogen 3.134 N/A MET 226.A N SER 223.A O no hydrogen 3.236 N/A CYS 228.A SG.B ILE 229.A O no hydrogen 3.611 N/A GLN 230.A N ASP 233.A OD2 no hydrogen 2.759 N/A GLY 232.A N LYS 262.A O no hydrogen 2.889 N/A ASP 233.A N GLN 230.A O no hydrogen 3.067 N/A ILE 234.A N ARG 208.A O no hydrogen 2.860 N/A LEU 235.A N GLY 265.A O no hydrogen 3.003 N/A PHE 236.A N ILE 210.A O no hydrogen 2.977 N/A ILE 237.A N ILE 267.A O no hydrogen 2.892 N/A GLU 238.A N GLY 212.A O no hydrogen 3.073 N/A SER 240.A OG.B GLU 272.A OE1 no hydrogen 2.688 N/A ARG 241.A N GLU 272.A O no hydrogen 2.847 N/A LYS 242.A N HIS 271.A NE2 no hydrogen 3.041 N/A LYS 242.A NZ SER 240.A O no hydrogen 3.122 N/A THR 246.A N ASP 243.A OD1 no hydrogen 2.878 N/A THR 246.A OG1 ASP 243.A OD1 no hydrogen 3.119 N/A ILE 247.A N ASP 243.A O no hydrogen 3.105 N/A GLU 248.A N ALA 244.A O no hydrogen 2.947 N/A ARG 249.A N ALA 245.A O no hydrogen 3.136 N/A SER 250.A N THR 246.A O no hydrogen 3.053 N/A SER 250.A OG THR 246.A O no hydrogen 3.374 N/A PHE 251.A N ILE 247.A O no hydrogen 2.835 N/A SER 252.A N GLU 248.A O no hydrogen 2.904 N/A PHE 253.A N ARG 249.A O no hydrogen 2.904 N/A LEU 254.A N SER 250.A O no hydrogen 3.179 N/A LYS 255.A N PHE 251.A O no hydrogen 3.049 N/A ILE 256.A N SER 252.A O no hydrogen 2.883 N/A ASN 257.A N PHE 253.A O no hydrogen 3.232 N/A ASN 257.A N LEU 254.A O no hydrogen 3.180 N/A ASN 257.A ND2 PHE 253.A O no hydrogen 2.991 N/A GLY 258.A N LYS 255.A O no hydrogen 2.995 N/A VAL 259.A N LEU 254.A O no hydrogen 3.116 N/A ASP 261.A N GLY 258.A O no hydrogen 3.058 N/A LYS 262.A N VAL 259.A O no hydrogen 3.109 N/A VAL 263.A N VAL 259.A O no hydrogen 3.124 N/A SER 264.A N ASP 233.A O no hydrogen 2.887 N/A SER 264.A OG GLY 232.A O no hydrogen 2.875 N/A SER 264.A OG ASP 233.A O no hydrogen 3.334 N/A ILE 266.A N PRO 297.A O no hydrogen 3.035 N/A ILE 267.A N LEU 235.A O no hydrogen 2.855 N/A LEU 268.A N LEU 299.A O no hydrogen 2.901 N/A GLY 269.A N ILE 237.A O no hydrogen 2.858 N/A LYS 270.A N PHE 302.A O no hydrogen 3.189 N/A LYS 270.A NZ ASN 195.A OD1 no hydrogen 2.674 N/A LYS 270.A NZ ASP 301.A O no hydrogen 2.850 N/A LYS 270.A NZ ASP 303.A OD1 no hydrogen 2.773 N/A GLN 273.A N ASP 178.A OD2 no hydrogen 2.879 N/A GLN 273.A NE2 ASP 178.A O no hydrogen 2.966 N/A ASP 275.A N LYS 242.A O no hydrogen 3.018 N/A CYS 277.A N ASP 275.A OD1 no hydrogen 2.925 N/A CYS 277.A SG ASP 275.A O no hydrogen 3.972 N/A GLY 278.A N ASP 276.A OD1 no hydrogen 2.850 N/A THR 279.A N ASP 276.A O no hydrogen 3.050 N/A THR 279.A OG1 ASP 276.A O no hydrogen 2.725 N/A ARG 281.A N THR 279.A OG1 no hydrogen 3.071 N/A LYS 282.A N GLU 285.A OE1 no hydrogen 2.787 N/A GLU 285.A N LYS 282.A O no hydrogen 2.923 N/A ILE 286.A N LYS 282.A O no hydrogen 3.387 N/A ILE 286.A N PRO 283.A O no hydrogen 3.105 N/A LEU 287.A N PRO 283.A O no hydrogen 3.009 N/A LEU 288.A N TYR 284.A O no hydrogen 2.896 N/A GLU 289.A N GLU 285.A O no hydrogen 3.170 N/A VAL 290.A N ILE 286.A O no hydrogen 3.144 N/A LEU 291.A N LEU 287.A O no hydrogen 2.943 N/A GLN 292.A N LEU 288.A O no hydrogen 3.148 N/A GLN 292.A N GLU 289.A O no hydrogen 3.091 N/A GLN 292.A NE2 GLU 289.A O no hydrogen 2.850 N/A GLN 294.A N LEU 291.A O no hydrogen 3.077 N/A GLN 294.A NE2 ASP 261.A OD1 no hydrogen 3.343 N/A ARG 295.A NH1 ASN 202.A O no hydrogen 2.923 N/A ARG 295.A NH2 ASN 202.A O no hydrogen 3.019 N/A LEU 298.A N THR 201.A O no hydrogen 3.043 N/A LEU 299.A N ILE 266.A O no hydrogen 3.055 N/A ALA 300.A N ILE 198.A O no hydrogen 2.864 N/A PHE 302.A N LEU 268.A O no hydrogen 3.045 N/A CYS 304.A SG TYR 134.A O no hydrogen 3.437 N/A CYS 304.A SG ILE 311.A O no hydrogen 3.327 N/A CYS 305.A SG LYS 270.A O no hydrogen 3.395 N/A CYS 305.A SG PHE 302.A O no hydrogen 3.825 N/A CYS 305.A SG THR 307.A OG1 no hydrogen 3.149 N/A HIS 306.A ND1 GLU 238.A OE2 no hydrogen 2.811 N/A HIS 306.A NE2 SER 115.A OG.A no hydrogen 3.113 N/A HIS 308.A N SER 177.A O no hydrogen 3.001 N/A MET 310.A N THR 152.A OG1 no hydrogen 3.012 N/A ILE 311.A N ASP 303.A O no hydrogen 2.980 N/A MET 313.A N TYR 134.A O no hydrogen 2.826 N/A ILE 315.A N THR 132.A O no hydrogen 2.800 N/A GLY 316.A N VAL 209.A O no hydrogen 2.909 N/A GLN 318.A N GLU 332.A OE2 no hydrogen 2.896 N/A VAL 319.A N GLY 207.A O no hydrogen 2.898 N/A LYS 320.A N HIS 329.A O no hydrogen 2.890 N/A MET 321.A N ALA 205.A O no hydrogen 2.764 N/A ASP 322.A N THR 327.A O no hydrogen 2.848 N/A ALA 323.A N GLY 203.A O no hydrogen 2.832 N/A ASN 325.A N ASP 322.A OD1 no hydrogen 2.977 N/A ASN 325.A ND2 ASP 322.A OD2 no hydrogen 2.934 N/A THR 327.A N ASP 322.A O no hydrogen 2.996 N/A HIS 329.A N LYS 320.A O no hydrogen 2.968 N/A ILE 330.A N TYR 168.A O no hydrogen 2.812 N/A LEU 331.A N GLN 318.A O no hydrogen 2.860 N/A TRP 334.A NE1 THR 159.A O no hydrogen 2.696 N/A LYS 335.A NZ THR 159.A O no hydrogen 2.956 N/A LYS 335.A NZ HIS 162.A O no hydrogen 3.019 N/A ILE 336.A N PRO 7.A O no hydrogen 2.886 N/A