Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2ehz_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 4.A N LEU 167.A O no hydrogen 2.824 N/A ILE 5.A N ARG 68.A O no hydrogen 2.750 N/A GLY 8.A N GLY 66.A O no hydrogen 2.817 N/A TYR 9.A N GLY 66.A O no hydrogen 3.238 N/A TYR 9.A OH GLU 117.A OE1 no hydrogen 2.669 N/A MET 10.A N ARG 51.A O no hydrogen 2.965 N/A GLY 11.A N TYR 64.A O no hydrogen 2.838 N/A ILE 12.A N VAL 53.A O no hydrogen 2.879 N/A SER 13.A N ASP 61.A O no hydrogen 2.954 N/A SER 13.A OG.A GLU 63.A OE2 no hydrogen 2.689 N/A SER 13.A OG.B GLU 63.A OE2 no hydrogen 2.930 N/A VAL 14.A N HIS 55.A O no hydrogen 2.920 N/A LYS 15.A N ASP 60.A OD1 no hydrogen 3.101 N/A ALA 19.A N ASP 16.A OD1 no hydrogen 3.088 N/A TRP 20.A N ASP 16.A O no hydrogen 3.059 N/A TRP 20.A NE1 SER 258.A OG no hydrogen 2.959 N/A LYS 21.A N PRO 17.A O no hydrogen 2.929 N/A LYS 21.A NZ ASP 34.A OD2 no hydrogen 3.260 N/A SER 22.A N ASP 18.A O no hydrogen 3.215 N/A SER 22.A OG.A ASP 18.A O no hydrogen 3.560 N/A SER 22.A OG.B ASP 18.A O no hydrogen 3.411 N/A SER 22.A OG.B ALA 19.A O no hydrogen 2.834 N/A PHE 23.A N ALA 19.A O no hydrogen 2.916 N/A ALA 24.A N TRP 20.A O no hydrogen 2.872 N/A THR 25.A N LYS 21.A O no hydrogen 3.101 N/A THR 25.A OG1 LYS 21.A O no hydrogen 2.846 N/A THR 25.A OG1 SER 22.A O no hydrogen 3.310 N/A THR 25.A OG1 ASP 26.A OD1 no hydrogen 3.374 N/A ASP 26.A N SER 22.A O no hydrogen 2.892 N/A MET 27.A N PHE 23.A O no hydrogen 2.905 N/A GLY 29.A N THR 25.A O no hydrogen 3.041 N/A LEU 30.A N ALA 24.A O no hydrogen 2.976 N/A GLN 31.A N ARG 44.A O no hydrogen 3.186 N/A LEU 33.A N TYR 42.A O no hydrogen 2.864 N/A GLY 36.A N ASP 34.A OD1 no hydrogen 2.888 N/A ARG 40.A NE ASP 39.A OD1 no hydrogen 3.026 N/A ARG 40.A NH1 GLU 99.A OE2 no hydrogen 2.783 N/A ARG 40.A NH2 ASP 39.A OD2 no hydrogen 2.960 N/A ARG 40.A NH2 GLU 99.A OE2 no hydrogen 3.405 N/A PHE 41.A N VAL 54.A O no hydrogen 2.997 N/A TYR 42.A N LEU 33.A O no hydrogen 2.844 N/A TYR 42.A OH GLU 37.A OE1 no hydrogen 2.636 N/A LEU 43.A N ILE 52.A O no hydrogen 2.822 N/A ARG 44.A N GLN 31.A O no hydrogen 2.809 N/A ARG 44.A NE TRP 48.A O no hydrogen 3.076 N/A ARG 44.A NE HIS 49.A O no hydrogen 3.102 N/A ARG 44.A NH1 GLN 31.A OE1 no hydrogen 3.127 N/A ARG 44.A NH1 ASN 128.A O no hydrogen 2.915 N/A ARG 44.A NH2 TYR 47.A O no hydrogen 3.165 N/A ARG 44.A NH2 TRP 48.A O no hydrogen 3.053 N/A ARG 44.A NH2 ASN 128.A O no hydrogen 2.884 N/A TRP 48.A N ASP 46.A OD1 no hydrogen 2.983 N/A HIS 49.A N ARG 123.A O no hydrogen 3.002 N/A HIS 49.A ND1 HIS 50.A ND1 no hydrogen 2.787 N/A HIS 49.A NE2 GLU 35.A OE2 no hydrogen 2.763 N/A HIS 50.A ND1 HIS 49.A ND1 no hydrogen 2.787 N/A ARG 51.A N LEU 43.A O no hydrogen 2.946 N/A ARG 51.A NE ASP 46.A OD1 no hydrogen 3.418 N/A ARG 51.A NE ASP 46.A OD2 no hydrogen 3.078 N/A ARG 51.A NH1 GLU 6.A OE2 no hydrogen 2.985 N/A ARG 51.A NH1 GLY 8.A O no hydrogen 2.914 N/A ARG 51.A NH2 ASP 46.A OD2 no hydrogen 2.871 N/A ILE 52.A N LEU 43.A O no hydrogen 3.157 N/A VAL 53.A N MET 10.A O no hydrogen 2.845 N/A VAL 54.A N PHE 41.A O no hydrogen 2.824 N/A HIS 55.A N ILE 12.A O no hydrogen 2.821 N/A HIS 55.A NE2 TYR 64.A OH no hydrogen 2.715 N/A HIS 56.A N ASP 39.A O no hydrogen 2.772 N/A GLY 58.A N VAL 14.A O no hydrogen 3.067 N/A GLN 59.A N SER 13.A OG.A no hydrogen 2.917 N/A ASP 61.A N SER 13.A O no hydrogen 3.202 N/A LEU 62.A N ASP 61.A OD1 no hydrogen 2.781 N/A GLU 63.A N GLY 11.A O no hydrogen 2.773 N/A TYR 64.A N GLY 11.A O no hydrogen 3.222 N/A TYR 64.A OH HIS 55.A NE2 no hydrogen 2.715 N/A LEU 65.A N PRO 115.A O no hydrogen 3.127 N/A GLY 66.A N TYR 9.A O no hydrogen 2.774 N/A TRP 67.A N GLU 117.A O no hydrogen 2.795 N/A ARG 68.A N GLU 6.A O no hydrogen 2.952 N/A ARG 68.A NH1 GLU 6.A OE1 no hydrogen 2.886 N/A VAL 69.A N PHE 119.A O no hydrogen 2.873 N/A PHE 75.A N GLY 71.A O no hydrogen 3.004 N/A GLU 76.A N LYS 72.A O no hydrogen 2.913 N/A ALA 77.A N PRO 73.A O no hydrogen 2.998 N/A LEU 78.A N GLU 74.A O no hydrogen 2.898 N/A GLY 79.A N PHE 75.A O no hydrogen 2.961 N/A GLN 80.A N GLU 76.A O no hydrogen 3.050 N/A GLN 80.A NE2 ASP 84.A OD2 no hydrogen 2.854 N/A LYS 81.A N ALA 77.A O no hydrogen 2.993 N/A LYS 81.A NZ LEU 166.A O no hydrogen 2.947 N/A LEU 82.A N LEU 78.A O no hydrogen 2.939 N/A ILE 83.A N GLY 79.A O no hydrogen 3.073 N/A ASP 84.A N GLN 80.A O no hydrogen 2.858 N/A ALA 85.A N LYS 81.A O no hydrogen 3.085 N/A GLY 86.A N ILE 83.A O no hydrogen 2.992 N/A TYR 87.A N LEU 82.A O no hydrogen 2.965 N/A LYS 88.A NZ GLY 86.A O no hydrogen 3.402 N/A ARG 90.A N LYS 107.A O no hydrogen 2.932 N/A ARG 90.A NH1 GLU 96.A OE1 no hydrogen 2.610 N/A ARG 90.A NH1 GLU 96.A OE2 no hydrogen 3.396 N/A ARG 90.A NH2 GLU 96.A OE2 no hydrogen 2.810 N/A CYS 92.A N LEU 105.A O no hydrogen 2.902 N/A CYS 92.A SG GLU 96.A OE1 no hydrogen 3.708 N/A GLU 96.A N ASP 93.A OD1 no hydrogen 3.142 N/A ALA 97.A N ASP 93.A O no hydrogen 3.068 N/A GLN 98.A N LYS 94.A O no hydrogen 2.836 N/A GLU 99.A N VAL 95.A O no hydrogen 3.016 N/A ARG 100.A N GLU 96.A O no hydrogen 3.448 N/A ARG 100.A NE GLU 117.A OE1 no hydrogen 2.853 N/A ARG 100.A NE GLU 117.A OE2 no hydrogen 3.276 N/A ARG 100.A NH2 GLU 117.A OE2 no hydrogen 2.755 N/A MET 101.A N GLN 98.A O no hydrogen 3.036 N/A VAL 102.A N ALA 97.A O no hydrogen 3.085 N/A LEU 103.A N TRP 120.A O no hydrogen 3.085 N/A LEU 103.A N GLY 121.A O no hydrogen 3.097 N/A GLY 104.A N TRP 120.A O no hydrogen 3.231 N/A MET 106.A N ILE 118.A O no hydrogen 2.857 N/A LYS 107.A N ARG 90.A O no hydrogen 2.867 N/A LYS 107.A NZ GLU 96.A OE2 no hydrogen 2.803 N/A THR 108.A N THR 116.A O no hydrogen 2.835 N/A THR 108.A OG1 LYS 88.A O no hydrogen 2.650 N/A GLU 109.A N THR 108.A OG1 no hydrogen 2.821 N/A ASP 110.A N ASN 114.A O no hydrogen 3.002 N/A GLY 112.A N ASP 110.A OD1 no hydrogen 2.939 N/A GLY 113.A N ASP 110.A O no hydrogen 2.944 N/A ASN 114.A N ASP 110.A OD1 no hydrogen 2.933 N/A ASN 114.A ND2 ASP 110.A OD2 no hydrogen 3.099 N/A ASN 114.A ND2 ARG 153.A O no hydrogen 2.873 N/A THR 116.A N THR 108.A O no hydrogen 2.904 N/A THR 116.A OG1 ASN 114.A O no hydrogen 2.826 N/A GLU 117.A N LEU 65.A O no hydrogen 2.799 N/A ILE 118.A N MET 106.A O no hydrogen 2.989 N/A PHE 119.A N TRP 67.A O no hydrogen 2.957 N/A TRP 120.A N GLY 104.A O no hydrogen 3.102 N/A ARG 123.A NE ASP 125.A OD1 no hydrogen 2.878 N/A ARG 123.A NH2 ASP 125.A OD1 no hydrogen 3.344 N/A ARG 123.A NH2 ASP 125.A OD2 no hydrogen 3.324 N/A ASP 125.A N TYR 47.A O no hydrogen 2.835 N/A ASN 128.A N ASP 125.A O no hydrogen 2.934 N/A HIS 131.A N GLN 31.A OE1 no hydrogen 3.016 N/A GLY 133.A N GLY 29.A O no hydrogen 3.244 N/A ARG 134.A NH1 ASP 26.A O no hydrogen 3.226 N/A ARG 134.A NH1 MET 27.A O no hydrogen 2.942 N/A ARG 134.A NH1 THR 226.A OG1 no hydrogen 3.089 N/A ARG 134.A NH2 THR 226.A OG1 no hydrogen 2.830 N/A HIS 137.A N ASP 222.A OD1 no hydrogen 2.848 N/A GLY 138.A N ASP 222.A OD2 no hydrogen 2.801 N/A LYS 139.A N THR 218.A OG1 no hydrogen 2.959 N/A VAL 141.A N GLU 216.A O no hydrogen 2.812 N/A THR 142.A OG1 ASP 46.A OD2 no hydrogen 2.630 N/A GLN 145.A N THR 142.A O no hydrogen 2.990 N/A GLY 146.A N GLY 143.A O no hydrogen 3.075 N/A LEU 147.A N LEU 7.A O no hydrogen 2.948 N/A HIS 149.A N MET 214.A O no hydrogen 3.264 N/A CYS 150.A N SER 198.A O no hydrogen 3.235 N/A CYS 150.A SG.B SER 198.A O no hydrogen 4.003 N/A ILE 151.A N HIS 212.A O no hydrogen 3.142 N/A VAL 152.A N ALA 200.A O no hydrogen 3.197 N/A ARG 153.A N ARG 209.A O no hydrogen 2.869 N/A ARG 153.A NH1 ALA 206.A O no hydrogen 2.894 N/A GLN 154.A NE2 ASP 110.A OD2 no hydrogen 2.881 N/A GLU 159.A N ASP 156.A OD2 no hydrogen 3.049 N/A ALA 160.A N ASP 156.A O no hydrogen 3.024 N/A HIS 161.A N VAL 157.A O no hydrogen 2.765 N/A HIS 161.A NE2 GLY 171.A O no hydrogen 2.749 N/A LYS 162.A N ALA 158.A O no hydrogen 2.991 N/A LYS 162.A NZ TYR 87.A OH no hydrogen 2.930 N/A PHE 163.A N GLU 159.A O no hydrogen 3.085 N/A TYR 164.A N ALA 160.A O no hydrogen 2.995 N/A TYR 164.A OH ASP 110.A OD2 no hydrogen 2.668 N/A SER 165.A N HIS 161.A O no hydrogen 2.832 N/A SER 165.A OG.A HIS 161.A O no hydrogen 2.722 N/A LEU 166.A N LYS 162.A O no hydrogen 2.997 N/A LEU 167.A N PHE 163.A O no hydrogen 3.132 N/A GLY 168.A N SER 165.A O no hydrogen 2.969 N/A PHE 169.A N TYR 164.A O no hydrogen 2.999 N/A ARG 170.A N HIS 191.A O no hydrogen 2.957 N/A ARG 170.A NE ASP 273.A O no hydrogen 3.095 N/A ARG 170.A NH2 ASP 273.A O no hydrogen 3.192 N/A VAL 173.A N ASP 172.A OD1 no hydrogen 2.791 N/A GLU 174.A N LEU 187.A O no hydrogen 2.895 N/A TYR 175.A N LEU 187.A O no hydrogen 3.339 N/A TYR 175.A OH ASP 281.A OD1 no hydrogen 2.737 N/A ARG 176.A N TYR 278.A O no hydrogen 3.004 N/A ARG 176.A NE GLU 186.A OE2 no hydrogen 2.765 N/A ARG 176.A NH2 GLU 186.A OE2 no hydrogen 3.235 N/A ILE 177.A N ALA 185.A O no hydrogen 2.868 N/A LEU 179.A N MET 183.A O no hydrogen 2.832 N/A GLY 182.A N LEU 179.A O no hydrogen 3.030 N/A MET 183.A N ASN 181.A OD1 no hydrogen 3.130 N/A ALA 185.A N ILE 177.A O no hydrogen 2.851 N/A LEU 187.A N TYR 175.A O no hydrogen 3.025 N/A SER 188.A N PHE 201.A O no hydrogen 2.814 N/A PHE 189.A N ASP 172.A O no hydrogen 3.098 N/A MET 190.A N ILE 199.A O no hydrogen 2.853 N/A HIS 191.A N ARG 170.A O no hydrogen 2.825 N/A HIS 191.A NE2 ASP 273.A OD1 no hydrogen 2.833 N/A ASN 193.A ND2 ILE 5.A O no hydrogen 2.819 N/A ARG 195.A N ASN 193.A OD1 no hydrogen 2.874 N/A ARG 195.A NE GLN 145.A O no hydrogen 2.813 N/A ARG 195.A NH1 GLU 216.A OE1 no hydrogen 2.985 N/A ARG 195.A NH2 VAL 141.A O no hydrogen 2.973 N/A ARG 195.A NH2 GLY 146.A O no hydrogen 3.031 N/A HIS 197.A ND1 ASP 196.A OD2 no hydrogen 2.684 N/A SER 198.A N MET 190.A O no hydrogen 2.911 N/A ILE 199.A N MET 190.A O no hydrogen 3.323 N/A ALA 200.A N CYS 150.A O no hydrogen 3.058 N/A PHE 201.A N SER 188.A O no hydrogen 2.931 N/A LYS 208.A NZ ASP 60.A O no hydrogen 2.797 N/A LYS 208.A NZ SER 258.A O no hydrogen 3.027 N/A ARG 209.A N ASP 61.A OD2 no hydrogen 2.800 N/A ARG 209.A NH1 LEU 62.A O no hydrogen 2.924 N/A LEU 210.A N ASP 61.A OD1 no hydrogen 3.100 N/A ASN 211.A N ILE 151.A O no hydrogen 2.910 N/A HIS 212.A ND1 ASN 211.A OD1 no hydrogen 2.833 N/A LEU 213.A N LEU 261.A O no hydrogen 3.115 N/A MET 214.A N HIS 149.A O no hydrogen 2.818 N/A LEU 215.A N GLU 263.A O no hydrogen 3.191 N/A TYR 217.A N GLY 265.A O no hydrogen 2.868 N/A TYR 217.A OH LEU 28.A O no hydrogen 2.658 N/A THR 218.A N LYS 139.A O no hydrogen 2.950 N/A THR 218.A OG1 LYS 139.A O no hydrogen 3.328 N/A THR 218.A OG1 HIS 219.A ND1 no hydrogen 2.797 N/A HIS 219.A ND1 THR 218.A OG1 no hydrogen 2.797 N/A GLU 221.A N GLU 221.A OE2 no hydrogen 2.792 N/A ASP 222.A N HIS 219.A O no hydrogen 3.076 N/A LEU 223.A N HIS 219.A O no hydrogen 3.459 N/A GLY 224.A N MET 220.A O no hydrogen 2.939 N/A TYR 225.A N GLU 221.A O no hydrogen 3.002 N/A THR 226.A N ASP 222.A O no hydrogen 2.931 N/A THR 226.A OG1 MET 27.A O no hydrogen 3.240 N/A THR 226.A OG1 TYR 217.A OH no hydrogen 2.741 N/A THR 226.A OG1 ASP 222.A O no hydrogen 3.155 N/A HIS 227.A N LEU 223.A O no hydrogen 2.902 N/A HIS 227.A NE2 GLN 240.A OE1 no hydrogen 2.933 N/A GLN 228.A N GLY 224.A O no hydrogen 2.969 N/A GLN 229.A N TYR 225.A O no hydrogen 2.880 N/A GLN 229.A NE2 ASP 26.A O no hydrogen 3.138 N/A PHE 230.A N THR 226.A O no hydrogen 3.109 N/A VAL 231.A N HIS 227.A O no hydrogen 3.094 N/A LYS 232.A N GLN 228.A O no hydrogen 2.815 N/A ASN 233.A N GLN 229.A O no hydrogen 3.015 N/A ASN 233.A ND2 GLN 229.A O no hydrogen 2.947 N/A GLU 234.A N VAL 231.A O no hydrogen 3.110 N/A ILE 235.A N PHE 230.A O no hydrogen 2.944 N/A ALA 238.A N TYR 253.A O no hydrogen 2.854 N/A GLN 240.A N GLY 286.A O no hydrogen 2.900 N/A GLN 240.A NE2 GLU 288.A OE1 no hydrogen 2.845 N/A LEU 241.A N GLN 240.A OE1 no hydrogen 3.146 N/A GLY 242.A N THR 251.A O no hydrogen 2.965 N/A ILE 243.A N PHE 283.A O no hydrogen 3.107 N/A HIS 244.A N ALA 249.A O no hydrogen 3.223 N/A HIS 244.A ND1 ASP 281.A OD2 no hydrogen 2.794 N/A HIS 244.A NE2 GLU 263.A OE2 no hydrogen 2.642 N/A ALA 245.A N ASP 281.A OD1 no hydrogen 2.938 N/A ASN 246.A N TYR 175.A OH no hydrogen 3.051 N/A ASN 246.A ND2 GLU 174.A OE1 no hydrogen 2.989 N/A ASP 247.A N ASN 246.A OD1 no hydrogen 2.707 N/A LYS 248.A N HIS 244.A O no hydrogen 2.973 N/A LYS 248.A NZ ALA 245.A O no hydrogen 2.781 N/A LYS 248.A NZ ASN 246.A O no hydrogen 2.985 N/A ALA 249.A N ASP 247.A OD1 no hydrogen 2.969 N/A LEU 250.A N TRP 266.A O no hydrogen 2.869 N/A THR 251.A N GLY 242.A O no hydrogen 2.980 N/A THR 251.A OG1 GLU 263.A OE2 no hydrogen 2.703 N/A THR 251.A OG1 HIS 285.A NE2 no hydrogen 2.820 N/A PHE 252.A N PRO 264.A O no hydrogen 3.339 N/A TYR 253.A N LEU 239.A O no hydrogen 2.969 N/A GLY 254.A N ILE 262.A O no hydrogen 2.865 N/A ALA 255.A N ASP 236.A O no hydrogen 2.863 N/A THR 256.A N TRP 260.A O no hydrogen 3.114 N/A THR 256.A OG1 TRP 260.A O no hydrogen 2.840 N/A SER 258.A N THR 256.A OG1 no hydrogen 3.170 N/A SER 258.A OG ASP 60.A OD1 no hydrogen 2.688 N/A GLY 259.A N THR 256.A O no hydrogen 3.019 N/A LEU 261.A N ASN 211.A O no hydrogen 3.171 N/A ILE 262.A N GLY 254.A O no hydrogen 2.867 N/A GLU 263.A N LEU 213.A O no hydrogen 2.762 N/A GLY 265.A N LEU 215.A O no hydrogen 2.986 N/A TRP 266.A N LEU 250.A O no hydrogen 2.972 N/A TRP 266.A NE1 THR 218.A O no hydrogen 2.985 N/A ARG 267.A NE LYS 248.A O no hydrogen 3.284 N/A ARG 267.A NE ARG 267.A O no hydrogen 3.447 N/A ARG 267.A NH2 LYS 248.A O no hydrogen 2.723 N/A GLY 268.A N GLU 216.A OE2 no hydrogen 3.023 N/A ALA 269.A N ASP 247.A O no hydrogen 2.681 N/A ALA 271.A N ALA 194.A O no hydrogen 2.806 N/A TYR 278.A N GLU 174.A O no hydrogen 2.815 N/A TYR 278.A OH GLU 276.A OE1 no hydrogen 2.531 N/A ASP 281.A N LEU 298.A O no hydrogen 2.759 N/A ILE 282.A N ILE 243.A O no hydrogen 3.021 N/A HIS 285.A N LEU 241.A O no hydrogen 3.170 N/A HIS 285.A ND1 ASP 281.A OD2 no hydrogen 2.820 N/A HIS 285.A NE2 THR 251.A O no hydrogen 3.043 N/A HIS 285.A NE2 THR 251.A OG1 no hydrogen 2.820 N/A GLU 288.A N ALA 238.A O no hydrogen 3.017 N/A ALA 289.A N ILE 237.A O no hydrogen 2.846 N/A GLY 291.A N ASP 295.A OD1 no hydrogen 3.121 N/A TYR 292.A OH ASP 236.A OD2 no hydrogen 2.532 N/A LEU 298.A N HIS 285.A O no hydrogen 3.258 N/A SER 299.A OG GLY 284.A O no hydrogen 2.766 N/A