Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3jug_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLY 2.A N TYR 4.A OH no hydrogen 3.073 N/A PHE 3.A N GLU 115.A O no hydrogen 3.214 N/A TYR 4.A N TYR 11.A O no hydrogen 2.885 N/A ASP 6.A N THR 9.A O no hydrogen 3.059 N/A ASN 8.A ND2 ILE 210.A O no hydrogen 2.924 N/A THR 9.A N ASP 6.A O no hydrogen 3.159 N/A THR 9.A OG1 ASN 8.A OD1 no hydrogen 3.501 N/A TYR 11.A N TYR 4.A O no hydrogen 2.765 N/A ASP 12.A N GLN 16.A O no hydrogen 2.828 N/A ASN 14.A N ASP 12.A OD2 no hydrogen 2.898 N/A GLY 15.A N ASP 12.A O no hydrogen 2.850 N/A GLN 16.A N ASP 12.A OD2 no hydrogen 3.042 N/A GLN 16.A NE2 ASN 14.A O no hydrogen 2.928 N/A PHE 18.A N LEU 10.A O no hydrogen 2.763 N/A LYS 21.A NZ GLU 238.A OE1 no hydrogen 2.634 N/A LYS 21.A NZ THR 287.A OG1 no hydrogen 2.911 N/A GLY 22.A N TRP 244.A O no hydrogen 2.961 N/A ILE 23.A N THR 48.A O no hydrogen 3.341 N/A ASN 24.A N ALA 246.A O no hydrogen 2.871 N/A ASN 24.A ND2 GLY 219.A O no hydrogen 2.994 N/A ASN 24.A ND2 ALA 246.A O no hydrogen 3.151 N/A HIS 25.A N ARG 50.A O no hydrogen 2.822 N/A HIS 27.A NE2 ASP 62.A OD1 no hydrogen 2.792 N/A ALA 28.A N VAL 52.A O no hydrogen 2.886 N/A TRP 29.A N GLY 26.A O no hydrogen 3.101 N/A TYR 30.A N HIS 27.A O no hydrogen 2.798 N/A TYR 30.A OH GLY 251.A O no hydrogen 2.666 N/A LYS 31.A NZ ALA 28.A O no hydrogen 2.774 N/A LYS 31.A NZ GLU 60.A O no hydrogen 2.916 N/A LYS 31.A NZ ASP 62.A OD1 no hydrogen 2.691 N/A LYS 31.A NZ ASP 62.A OD2 no hydrogen 3.343 N/A THR 33.A N TYR 30.A O no hydrogen 3.131 N/A THR 33.A OG1 TYR 30.A O no hydrogen 2.753 N/A ALA 34.A N LYS 31.A O no hydrogen 3.490 N/A THR 36.A N THR 33.A O no hydrogen 2.900 N/A ALA 37.A N THR 33.A O no hydrogen 2.735 N/A ILE 38.A N ALA 34.A O no hydrogen 3.019 N/A ALA 40.A N THR 36.A O no hydrogen 3.034 N/A ILE 41.A N ALA 37.A O no hydrogen 2.872 N/A ALA 42.A N ILE 38.A O no hydrogen 3.069 N/A GLU 43.A N PRO 39.A O no hydrogen 2.910 N/A GLN 44.A N ILE 41.A O no hydrogen 3.047 N/A GLN 44.A NE2 ALA 40.A O no hydrogen 2.909 N/A GLY 45.A N ALA 42.A O no hydrogen 2.942 N/A ASN 47.A N LYS 21.A O no hydrogen 2.920 N/A ILE 49.A N VAL 80.A O no hydrogen 2.837 N/A ARG 50.A N ILE 23.A O no hydrogen 2.983 N/A ARG 50.A NE ASN 121.A OD1 no hydrogen 2.810 N/A ARG 50.A NH1 ASN 24.A OD1 no hydrogen 2.783 N/A ARG 50.A NH1 GLU 220.A OE2 no hydrogen 3.094 N/A ARG 50.A NH2 ASN 121.A OD1 no hydrogen 2.787 N/A ILE 51.A N VAL 82.A O no hydrogen 2.870 N/A VAL 52.A N HIS 25.A O no hydrogen 3.075 N/A LEU 53.A N GLU 84.A O no hydrogen 2.783 N/A SER 54.A N ASP 62.A OD2 no hydrogen 2.824 N/A SER 54.A OG ASP 87.A OD1 no hydrogen 3.357 N/A SER 54.A OG ASP 87.A OD2 no hydrogen 2.694 N/A ASP 55.A N ASP 87.A OD1 no hydrogen 2.785 N/A GLY 56.A N SER 54.A OG no hydrogen 2.945 N/A GLY 57.A N ASP 55.A OD1 no hydrogen 2.983 N/A GLN 58.A N ASP 87.A OD2 no hydrogen 2.803 N/A GLN 58.A NE2 ASP 87.A O no hydrogen 2.990 N/A LYS 61.A NZ GLU 106.A OE1 no hydrogen 2.761 N/A LYS 61.A NZ GLU 106.A OE2 no hydrogen 3.502 N/A ASP 62.A N SER 54.A O no hydrogen 2.959 N/A THR 66.A N ASP 63.A OD2 no hydrogen 2.903 N/A THR 66.A OG1 ASP 63.A OD2 no hydrogen 3.153 N/A VAL 67.A N ASP 63.A O no hydrogen 2.980 N/A ARG 68.A N ILE 64.A O no hydrogen 3.011 N/A GLU 69.A N ASP 65.A O no hydrogen 2.877 N/A VAL 70.A N THR 66.A O no hydrogen 2.986 N/A ILE 71.A N VAL 67.A O no hydrogen 3.081 N/A GLU 72.A N ARG 68.A O no hydrogen 2.966 N/A LEU 73.A N GLU 69.A O no hydrogen 2.946 N/A ALA 74.A N VAL 70.A O no hydrogen 3.111 N/A GLU 75.A N ILE 71.A O no hydrogen 2.924 N/A GLN 76.A N GLU 72.A O no hydrogen 2.854 N/A ASN 77.A N ALA 74.A O no hydrogen 2.957 N/A ASN 77.A ND2 LEU 73.A O no hydrogen 2.897 N/A LYS 78.A N GLU 75.A O no hydrogen 2.952 N/A MET 79.A N ALA 74.A O no hydrogen 2.906 N/A VAL 80.A N ASN 47.A O no hydrogen 2.978 N/A ALA 81.A N THR 117.A O no hydrogen 2.989 N/A VAL 82.A N ILE 49.A O no hydrogen 2.894 N/A VAL 83.A N ILE 119.A O no hydrogen 3.041 N/A GLU 84.A N ILE 51.A O no hydrogen 3.095 N/A HIS 86.A N LEU 53.A O no hydrogen 2.941 N/A HIS 86.A ND1 GLU 84.A OE2 no hydrogen 2.624 N/A THR 89.A N HIS 86.A O no hydrogen 3.250 N/A THR 89.A OG1 HIS 86.A O no hydrogen 2.585 N/A THR 89.A OG1 ASN 124.A O no hydrogen 3.464 N/A THR 89.A OG1 ASN 124.A OD1 no hydrogen 2.781 N/A GLY 90.A N GLU 125.A O no hydrogen 2.796 N/A ARG 91.A N ALA 88.A O no hydrogen 2.940 N/A ARG 91.A NH1 ASP 96.A OD1 no hydrogen 3.001 N/A SER 93.A OG SER 95.A OG no hydrogen 2.608 N/A SER 95.A N SER 93.A OG no hydrogen 3.130 N/A SER 95.A OG SER 93.A OG no hydrogen 2.608 N/A ASP 96.A N SER 93.A O no hydrogen 3.263 N/A ASP 98.A N ARG 94.A O no hydrogen 2.869 N/A ARG 99.A N SER 95.A O no hydrogen 2.988 N/A ARG 99.A NE ASP 55.A O no hydrogen 3.132 N/A ARG 99.A NE ASP 55.A OD1 no hydrogen 3.381 N/A ARG 99.A NH2 ASP 55.A O no hydrogen 2.979 N/A ALA 100.A N ASP 96.A O no hydrogen 3.243 N/A VAL 101.A N LEU 97.A O no hydrogen 2.888 N/A ASP 102.A N ASP 98.A O no hydrogen 2.907 N/A TYR 103.A N ARG 99.A O no hydrogen 3.017 N/A TYR 103.A OH ASP 62.A O no hydrogen 2.749 N/A TRP 104.A N ALA 100.A O no hydrogen 3.075 N/A TRP 104.A NE1 ILE 122.A O no hydrogen 2.794 N/A ILE 105.A N VAL 101.A O no hydrogen 3.152 N/A GLU 106.A N ASP 102.A O no hydrogen 2.804 N/A MET 107.A N TYR 103.A O no hydrogen 2.921 N/A MET 107.A N TRP 104.A O no hydrogen 3.126 N/A LYS 108.A N ILE 105.A O no hydrogen 3.270 N/A ALA 110.A N MET 107.A O no hydrogen 2.913 N/A LEU 111.A N LYS 108.A O no hydrogen 2.994 N/A ILE 112.A N LYS 108.A O no hydrogen 2.774 N/A GLY 113.A N GLU 115.A OE1 no hydrogen 2.826 N/A LYS 114.A N LEU 111.A O no hydrogen 2.953 N/A LYS 114.A NZ GLU 75.A OE2 no hydrogen 3.485 N/A GLU 115.A N GLU 115.A OE2 no hydrogen 2.755 N/A THR 117.A N LYS 114.A O no hydrogen 3.050 N/A THR 117.A OG1 LYS 114.A O no hydrogen 3.347 N/A VAL 118.A N LYS 114.A O no hydrogen 2.874 N/A ILE 119.A N ALA 81.A O no hydrogen 2.892 N/A ILE 120.A N THR 154.A O no hydrogen 3.104 N/A ASN 121.A N VAL 83.A O no hydrogen 2.818 N/A ASN 121.A ND2 MET 156.A O no hydrogen 2.914 N/A ASN 121.A ND2 ASP 158.A OD1 no hydrogen 3.030 N/A ILE 122.A N MET 156.A O no hydrogen 3.043 N/A ASN 124.A N VAL 85.A O no hydrogen 2.881 N/A ASN 124.A ND2 GLU 220.A OE2 no hydrogen 2.987 N/A GLU 125.A N ASP 158.A OD2 no hydrogen 2.807 N/A TRP 126.A NE1 SER 93.A O no hydrogen 2.837 N/A TYR 127.A N ARG 91.A O no hydrogen 2.740 N/A SER 129.A N ASP 92.A OD1 no hydrogen 3.004 N/A SER 129.A OG ASP 92.A OD2 no hydrogen 2.754 N/A ASP 131.A N SER 129.A O no hydrogen 3.055 N/A ALA 134.A N ASP 131.A OD1 no hydrogen 3.131 N/A TRP 135.A N ASP 131.A O no hydrogen 3.160 N/A TRP 135.A NE1 ASP 158.A O no hydrogen 2.734 N/A ALA 136.A N GLY 132.A O no hydrogen 2.880 N/A ASP 137.A N ALA 133.A O no hydrogen 3.036 N/A GLY 138.A N ALA 134.A O no hydrogen 3.213 N/A TYR 139.A N TRP 135.A O no hydrogen 3.394 N/A ILE 140.A N ALA 136.A O no hydrogen 2.809 N/A ASP 141.A N ASP 137.A O no hydrogen 2.974 N/A VAL 142.A N GLY 138.A O no hydrogen 2.975 N/A ILE 143.A N TYR 139.A O no hydrogen 2.954 N/A LYS 145.A N VAL 142.A O no hydrogen 3.076 N/A LYS 145.A NZ ASP 141.A OD2 no hydrogen 3.147 N/A LEU 146.A N VAL 142.A O no hydrogen 3.335 N/A ARG 147.A N ILE 143.A O no hydrogen 3.008 N/A ARG 147.A NE ASP 180.A OD2 no hydrogen 2.880 N/A ARG 147.A NH1 LEU 151.A O no hydrogen 2.747 N/A ARG 147.A NH1 HIS 153.A O no hydrogen 2.736 N/A ARG 147.A NH2 HIS 153.A O no hydrogen 3.163 N/A ARG 147.A NH2 ASP 180.A OD1 no hydrogen 2.864 N/A ARG 147.A NH2 ASP 180.A OD2 no hydrogen 3.482 N/A ASP 148.A N PRO 144.A O no hydrogen 2.769 N/A ALA 149.A N LYS 145.A O no hydrogen 3.131 N/A ALA 149.A N LEU 146.A O no hydrogen 3.154 N/A GLY 150.A N ARG 147.A O no hydrogen 2.835 N/A LEU 151.A N LEU 146.A O no hydrogen 3.252 N/A HIS 153.A NE2 LEU 111.A O no hydrogen 2.751 N/A THR 154.A OG1 ASN 184.A OD1 no hydrogen 2.739 N/A LEU 155.A N ASN 184.A O no hydrogen 3.082 N/A MET 156.A N ILE 120.A O no hydrogen 2.827 N/A VAL 157.A N ILE 186.A O no hydrogen 2.851 N/A ALA 159.A N SER 188.A O no hydrogen 2.839 N/A ALA 160.A N SER 168.A OG no hydrogen 3.096 N/A GLY 161.A N TYR 127.A O no hydrogen 2.893 N/A GLY 163.A N ALA 159.A O no hydrogen 3.168 N/A GLN 164.A N GLY 161.A O no hydrogen 2.961 N/A TYR 165.A N ALA 160.A O no hydrogen 3.010 N/A GLN 167.A NE2 ASP 171.A OD1 no hydrogen 3.311 N/A GLN 167.A NE2 ASP 171.A OD2 no hydrogen 2.910 N/A SER 168.A N TYR 165.A O no hydrogen 3.064 N/A SER 168.A OG TYR 165.A O no hydrogen 2.762 N/A HIS 170.A N PRO 166.A O no hydrogen 3.113 N/A HIS 170.A ND1 ARG 208.A O no hydrogen 3.101 N/A ASP 171.A N GLN 167.A O no hydrogen 2.878 N/A TYR 172.A N SER 168.A O no hydrogen 2.854 N/A GLY 173.A N ILE 169.A O no hydrogen 2.791 N/A VAL 176.A N TYR 172.A O no hydrogen 3.026 N/A PHE 177.A N GLY 173.A O no hydrogen 2.838 N/A ASN 178.A N GLN 174.A O no hydrogen 2.856 N/A ALA 179.A N ASP 175.A O no hydrogen 3.259 N/A ALA 179.A N VAL 176.A O no hydrogen 3.067 N/A ASP 180.A N PHE 177.A O no hydrogen 2.845 N/A LEU 182.A N ASP 180.A OD2 no hydrogen 2.890 N/A LYS 183.A N ASP 180.A O no hydrogen 2.843 N/A ASN 184.A N ASP 180.A OD1 no hydrogen 2.915 N/A ASN 184.A ND2 PHE 3.A O no hydrogen 2.969 N/A THR 185.A OG1 ASP 180.A OD1 no hydrogen 2.816 N/A ILE 186.A N LEU 155.A O no hydrogen 2.718 N/A PHE 187.A N ALA 215.A O no hydrogen 2.902 N/A SER 188.A N VAL 157.A O no hydrogen 2.888 N/A SER 188.A OG VAL 217.A O no hydrogen 3.407 N/A ILE 189.A N VAL 217.A O no hydrogen 3.051 N/A HIS 190.A N GLY 163.A O no hydrogen 2.869 N/A HIS 190.A ND1 GLU 125.A OE2 no hydrogen 2.629 N/A MET 191.A N GLU 220.A O no hydrogen 2.876 N/A TYR 192.A OH GLU 220.A OE1 no hydrogen 2.689 N/A GLU 193.A N GLU 193.A OE2 no hydrogen 2.697 N/A GLY 196.A N TYR 192.A O no hydrogen 2.846 N/A THR 201.A N ASP 198.A OD1 no hydrogen 2.705 N/A THR 201.A OG1 ASP 198.A OD1 no hydrogen 2.640 N/A THR 201.A OG1 ASP 198.A OD2 no hydrogen 3.458 N/A VAL 202.A N ASP 198.A O no hydrogen 2.973 N/A ARG 203.A N ALA 199.A O no hydrogen 3.027 N/A SER 204.A N.A ASN 200.A O no hydrogen 2.884 N/A SER 204.A N.B ASN 200.A O no hydrogen 2.876 N/A SER 204.A OG.A ASN 200.A O no hydrogen 2.959 N/A SER 204.A OG.B ASN 200.A O no hydrogen 3.340 N/A SER 204.A OG.B THR 201.A O no hydrogen 2.838 N/A ASN 205.A N THR 201.A O no hydrogen 2.897 N/A ILE 206.A N VAL 202.A O no hydrogen 3.083 N/A ASP 207.A N ARG 203.A O no hydrogen 2.928 N/A ARG 208.A N SER 204.A O.A no hydrogen 2.950 N/A ARG 208.A N SER 204.A O.B no hydrogen 2.904 N/A VAL 209.A N ILE 206.A O no hydrogen 3.110 N/A ILE 210.A N ILE 206.A O no hydrogen 3.057 N/A ASP 211.A N ASP 207.A O no hydrogen 2.904 N/A GLN 212.A N VAL 209.A O no hydrogen 2.896 N/A ASP 213.A N ILE 210.A O no hydrogen 2.927 N/A VAL 217.A N PHE 187.A O no hydrogen 2.877 N/A ILE 218.A N GLY 243.A O no hydrogen 2.856 N/A GLY 219.A N SER 188.A OG no hydrogen 3.072 N/A GLY 222.A N MET 191.A O no hydrogen 3.196 N/A HIS 223.A ND1 ARG 224.A O no hydrogen 2.683 N/A HIS 223.A NE2 TYR 258.A O no hydrogen 2.707 N/A ARG 224.A N GLU 230.A OE1 no hydrogen 3.443 N/A ARG 224.A NE ASP 227.A OD1 no hydrogen 3.238 N/A HIS 225.A ND1 HIS 223.A O no hydrogen 3.181 N/A ASP 229.A N GLY 196.A O no hydrogen 2.890 N/A GLU 230.A N GLU 230.A OE1 no hydrogen 2.901 N/A THR 232.A N ASP 229.A OD1 no hydrogen 3.163 N/A THR 232.A OG1 ASP 229.A OD2 no hydrogen 2.595 N/A ILE 233.A N ASP 229.A O no hydrogen 3.124 N/A LEU 234.A N GLU 230.A O no hydrogen 2.897 N/A SER 235.A N ASP 231.A O no hydrogen 2.836 N/A SER 235.A OG ASP 231.A O no hydrogen 3.244 N/A TYR 236.A N THR 232.A O no hydrogen 2.744 N/A TYR 236.A OH ASP 207.A OD1 no hydrogen 2.697 N/A TYR 236.A OH ASP 207.A OD2 no hydrogen 3.327 N/A SER 237.A N ILE 233.A O no hydrogen 3.022 N/A SER 237.A OG ILE 233.A O no hydrogen 2.801 N/A GLU 238.A N LEU 234.A O no hydrogen 3.176 N/A GLU 239.A N SER 235.A O no hydrogen 2.988 N/A THR 240.A N TYR 236.A O no hydrogen 3.065 N/A THR 240.A N SER 237.A O no hydrogen 3.185 N/A THR 240.A OG1 TYR 236.A O no hydrogen 2.857 N/A THR 240.A OG1 SER 237.A O no hydrogen 3.340 N/A THR 240.A OG1 THR 242.A OG1 no hydrogen 2.775 N/A THR 242.A N SER 237.A O no hydrogen 2.929 N/A THR 242.A OG1 THR 240.A OG1 no hydrogen 2.775 N/A TRP 244.A N MET 20.A O no hydrogen 2.810 N/A LEU 245.A N ILE 218.A O no hydrogen 2.926 N/A ALA 246.A N GLY 22.A O no hydrogen 2.917 N/A TRP 247.A N PHE 221.A O no hydrogen 3.244 N/A TRP 247.A NE1 ASN 252.A OD1 no hydrogen 2.858 N/A SER 248.A N LEU 259.A O no hydrogen 2.979 N/A TRP 249.A N ASN 24.A O no hydrogen 2.806 N/A TRP 249.A NE1 TRP 265.A O no hydrogen 2.964 N/A LYS 250.A NZ GLU 263.A O no hydrogen 2.850 N/A GLY 251.A N ASP 260.A OD2 no hydrogen 2.978 N/A ASN 252.A N ASP 260.A OD1 no hydrogen 2.958 N/A ASN 252.A ND2 SER 248.A OG no hydrogen 2.949 N/A ASN 252.A ND2 ASP 260.A OD1 no hydrogen 2.823 N/A TRP 256.A N SER 253.A O no hydrogen 2.848 N/A ASP 257.A N ALA 254.A O no hydrogen 3.455 N/A LEU 259.A N TRP 256.A O no hydrogen 2.830 N/A ASP 260.A N ASP 257.A O no hydrogen 3.040 N/A LEU 261.A N SER 248.A O no hydrogen 2.847 N/A SER 262.A N TRP 249.A O no hydrogen 2.961 N/A SER 262.A OG ASP 264.A O no hydrogen 2.715 N/A SER 262.A OG ASP 264.A OD1 no hydrogen 3.130 N/A SER 262.A OG HIS 269.A O no hydrogen 3.556 N/A GLU 263.A N HIS 269.A O no hydrogen 2.841 N/A GLY 267.A N ASP 264.A O no hydrogen 3.196 N/A ASN 268.A N ASP 264.A OD2 no hydrogen 2.937 N/A HIS 269.A N ASP 264.A OD1 no hydrogen 2.942 N/A THR 271.A N LEU 261.A O no hydrogen 2.975 N/A THR 271.A OG1 ASP 260.A O no hydrogen 2.762 N/A THR 271.A OG1 LEU 261.A O no hydrogen 3.054 N/A TRP 273.A NE1 TRP 247.A O no hydrogen 3.005 N/A GLY 274.A N THR 271.A OG1 no hydrogen 3.016 N/A ASN 275.A N THR 271.A O no hydrogen 2.833 N/A ARG 276.A N ASP 272.A O no hydrogen 3.018 N/A ARG 276.A NE ASP 231.A OD1 no hydrogen 3.002 N/A ARG 276.A NH1 ARG 276.A O no hydrogen 2.924 N/A ARG 276.A NH1 ALA 281.A O no hydrogen 2.872 N/A ARG 276.A NH2 ASP 231.A OD1 no hydrogen 2.880 N/A ARG 276.A NH2 ALA 281.A O no hydrogen 3.291 N/A ILE 277.A N TRP 273.A O no hydrogen 3.130 N/A VAL 278.A N GLY 274.A O no hydrogen 2.836 N/A HIS 279.A N ASN 275.A O no hydrogen 2.834 N/A GLY 280.A N ARG 276.A O no hydrogen 3.145 N/A GLY 283.A N GLY 280.A O no hydrogen 2.880 N/A LEU 284.A N ILE 277.A O no hydrogen 2.850 N/A GLN 285.A N VAL 278.A O no hydrogen 3.016 N/A THR 287.A N GLY 283.A O no hydrogen 2.905 N/A THR 287.A OG1 ASN 282.A O no hydrogen 3.489 N/A THR 287.A OG1 GLY 283.A O no hydrogen 2.868 N/A SER 288.A N LEU 284.A O no hydrogen 2.870 N/A SER 288.A OG GLY 45.A O no hydrogen 2.726 N/A THR 292.A N ASP 12.A OD1 no hydrogen 2.974 N/A THR 292.A OG1 ASP 12.A OD1 no hydrogen 2.696 N/A THR 292.A OG1 ASP 12.A OD2 no hydrogen 3.407 N/A THR 292.A OG1 ASN 14.A OD1 no hydrogen 3.015 N/A VAL 293.A N SER 291.A OG no hydrogen 3.291 N/A PHE 294.A N SER 291.A O no hydrogen 3.264 N/A